# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_cdpm66
_database_code_depnum_ccdc_archive 'CCDC 2365779'
loop_
_audit_author_name
_audit_author_address
'George F. S. Whitehead'
;University of Manchester
United Kingdom
;
_audit_update_record             
;
2024-06-26 deposited with the CCDC.	2024-11-28 downloaded from the CCDC.
;
_manchester_internal_diff_code   cdpm66
_manchester_internal_coll_client SCC
_manchester_internal_coll_date   11/12/23
_manchester_internal_process_date 18/03/24
_manchester_internal_process_user SCC
_manchester_internal_solution_date 18/03/24
_manchester_internal_solution_user SCC
_manchester_internal_refinement_date 18/03/24
_manchester_internal_refinement_user SCC/GFSW
_manchester_internal_validation_date 18/03/24
_manchester_internal_validation_user SCC
_manchester_internal_archive_date ?
_manchester_internal_archive_user ?
_refine_special_details          
;
The RESI and SAME commands were applied to all OC(CF3)3 groups to restrain
chemically equivalent bond parameters to be approximately equal.
Nine OC(CF3)3 groups are disordered over 2 orientations, the occupancies 
were allowed to freely refine and linked to FVAR 2 converging at a final 
ratio of 0.59:0.41.
DFIX commands were applied within the anion moieties as appropriate to 
restrain OC(CF3)3 groups to appropriate orientations.
The Al-O distances of the disordered components were restrained to be 
approximately equal.
The 1,2 bond distances of the lattice hexane were restrained to be
approximately 1.5 Angstrom.
The AFIX 66 command was applied to the lattice fluorobenzene, the 1,2 C-F 
distance was restrained to be approximately 1.35 Angstrom, the 1,3 C-F 
distances were restrained to be approximately equal, the molecule was 
set to be flat. The occupancy was set to 0.5.
Similarity thermal restraints and enhanced rigid bond restraints were
restrained to be approximately equal.
;
_vrf_PLAT084_cdpm66              
;
PROBLEM: High wR2 Value (i.e. > 0.25) ................... 0.40 Report
RESPONSE: The inherent disorder of the anion groups are precluding low
R values. The data set is of good quality and the dication of interest
is free from disorder.
;
_vrf_PLAT971_cdpm66              
;
PROBLEM: Check Calcd Resid. Dens. 1.18Ang From F11_11 2.75 eA-3
RESPONSE: The density is within the highly disordered anion groups which
cannot be modelled further.
;
_vrf_PLAT973_cdpm66              
;
PROBLEM: Check Calcd Positive Resid. Density on Y1 1.95 eA-3
RESPONSE: The density is near the heavy Y atoms and of no chemical significance.
;
_audit_creation_date             2024-03-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        '[Y(Cp*)(FPh)6][{Al[OC(CF3)3]3}2(F)]'
_chemical_formula_moiety         
'2(C46 H45 F6 Y), 4(Al2 C24 F55 O6), C6 H5 F, 2(C6 H14)'
_chemical_formula_sum            'C206 H123 Al8 F233 O24 Y2'
_chemical_formula_weight         7802.70
_chemical_melting_point          ?
_chemical_oxdiff_formula         YAlOCF
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.2130 0.2455 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -0.2670 2.0244 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   18.06498(10)
_cell_length_b                   19.02813(13)
_cell_length_c                   39.8336(2)
_cell_angle_alpha                90
_cell_angle_beta                 94.9425(5)
_cell_angle_gamma                90
_cell_volume                     13641.59(14)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    78431
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      78.9000
_cell_measurement_theta_min      2.6030
_shelx_estimated_absorpt_T_max   0.536
_shelx_estimated_absorpt_T_min   0.432
_exptl_absorpt_coefficient_mu    2.878
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.286
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.69a (Rigaku Oxford Diffraction, 2020)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.900
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             7660
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-3 12 6 0.1171
7 10 0 0.1392
12 0 -5 0.1532
-10 -7 2 0.1460
-8 9 7 0.1207
-5 7 19 0.0914
-10 5 8 0.1450
-5 -4 -20 0.1749
7 -6 -17 0.1486
11 -4 -4 0.1416
11 -1 7 0.1308
8 3 17 0.1405
-5 -1 24 0.1075
6 -6 17 0.1186
9 -6 7 0.1176
9 -1 -19 0.1597
2 3 -25 0.1728
-11 5 3 0.1612
-6 6 -17 0.2151
10 -7 -3 0.1305
3 -11 8 0.1013
-2 -11 12 0.1125
-10 -4 14 0.1398
4 -11 -8 0.1291
-3 -12 -6 0.1368
-2 -1 -25 0.1715
5 -3 -23 0.1620
-5 1 -22 0.1913
1 -7 21 0.1127

_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.297
_exptl_crystal_size_min          0.248
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-2.5018 11.8090 5.6273 0.1872 0.7842 -0.5916
7.1039 9.7909 0.4431 0.2278 0.9444 0.2370
11.6488 0.2727 -5.2558 0.0968 0.3934 0.9143
-9.6109 -7.0843 1.7362 -0.2001 -0.8267 -0.5259
-7.5632 9.0680 6.9168 0.0992 0.4213 -0.9015
-5.1782 6.6884 19.3907 -0.4423 0.5158 -0.7337
-10.3039 5.0368 8.3906 -0.0555 0.0615 -0.9966
-5.3798 -4.1021 -20.1913 0.6421 -0.7531 -0.1432
6.9862 -6.4988 -16.9450 0.3451 -0.4014 0.8484
11.0775 -3.9901 -3.8196 -0.0824 0.1001 0.9916
10.9119 -0.9271 7.2000 -0.3806 0.4489 0.8085
7.6894 2.6615 17.1731 -0.5986 0.7030 0.3841
-5.4160 -1.2755 23.7123 -0.8430 0.0212 -0.5375
5.8793 -6.2478 16.9760 -0.8532 0.0239 0.5210
9.2801 -6.3116 6.9256 -0.5242 0.0159 0.8514
8.5981 -1.3188 -18.9306 0.5636 -0.0131 0.8260
2.4252 3.1065 -24.8079 0.9649 -0.0251 0.2615
-10.6028 5.2739 2.9296 0.1501 -0.0063 -0.9886
-5.8944 6.2506 -16.9453 0.8524 -0.0239 -0.5224
9.7050 -6.8998 -3.4532 -0.1743 -0.1458 0.9739
2.7177 -11.3125 7.9493 -0.6602 -0.5618 0.4985
-2.1832 -10.6887 12.4122 -0.7586 -0.6471 0.0755
-9.6043 -4.1390 13.8420 -0.5424 -0.4649 -0.6998
3.5601 -11.2490 -7.8657 -0.0987 -0.7354 0.6704
-3.0898 -11.5298 -5.6511 -0.1297 -0.9789 0.1578
-1.6015 -0.5077 -25.1761 0.9002 -0.4301 0.0686
4.8451 -3.0904 -23.4578 0.7029 -0.3373 0.6262
-5.1927 1.1238 -21.9842 0.8674 -0.4135 -0.2768
0.5267 -7.0455 21.0278 -0.9773 -0.1809 0.1101

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0372
_diffrn_reflns_av_unetI/netI     0.0270
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       48
_diffrn_reflns_limit_l_min       -50
_diffrn_reflns_number            149565
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         80.176
_diffrn_reflns_theta_min         2.575
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -78.00  25.00   0.50    0.50    --  -47.85  93.00 121.00  206
  2  ω    -13.00  78.00   0.50    0.50    --   47.85 -93.00   9.00  182
  3  ω    -80.00 -19.00   0.50    2.00    --  -91.75  93.00 121.00  122
  4  ω   -163.00 -83.00   0.50    2.00    --  -91.75 -93.00   9.00  160
  5  ω    104.00 178.00   0.50    2.00    --  113.25  93.00 121.00  148
  6  ω     42.00 106.00   0.50    2.00    --  113.25 -93.00   9.00  128
  7  ω   -120.00 -33.00   0.50    0.50    --  -47.85 -57.00 -60.00  174
  8  ω    -26.00  28.00   0.50    0.50    --  -47.85  19.00-120.00  108
  9  ω    -26.00  26.00   0.50    0.50    --   47.85 -19.00 -60.00  104
 10  ω    -71.00 -19.00   0.50    2.00    --  -91.75  61.00 -30.00  104
 11  ω    -51.00 -20.00   0.50    2.00    --  -91.75  45.00 -60.00   62
 12  ω     42.00  71.00   0.50    2.00    --  113.25 -61.00 -90.00   58
 13  ω     42.00 106.00   0.50    2.00    --  113.25 -94.00 -30.00  128
 14  ω    100.00 178.00   0.50    2.00    --  113.25  15.00-150.00  156
 15  ω     91.00 178.00   0.50    2.00    --  113.25  77.00  60.00  174
 16  ω    101.00 178.00   0.50    2.00    --  113.25  45.00  90.00  154
 17  ω     42.00  71.00   0.50    2.00    --  113.25 -61.00 120.00   58
 18  ω     45.00  78.00   0.50    2.00    --  113.25-125.00 150.00   66
 19  ω    118.00 177.00   0.50    2.00    --  113.25  45.00  30.00  118
 20  ω    100.00 176.00   0.50    2.00    --  113.25 125.00-150.00  152
 21  ω    133.00 175.00   0.50    2.00    --  113.25  45.00 150.00   84
 22  ω     76.00 102.00   0.50    2.00    --  113.25 -77.00  30.00   52
 23  ω     78.00 104.00   0.50    2.00    --  113.25 -94.00  30.00   52
 24  ω     43.00  70.00   0.50    2.00    --  113.25 -61.00  30.00   54
 25  ω     43.00  73.00   0.50    2.00    --  113.25 -94.00  30.00   60
 26  ω    102.00 176.00   0.50    2.00    --  113.25 125.00-120.00  148
 27  ω     47.00  73.00   0.50    2.00    --  113.25 -77.00  30.00   52
 28  ω     44.00 107.00   0.50    2.00    --  113.25-125.00 -90.00  126
 29  ω     43.00  71.00   0.50    2.00    --  113.25 -61.00 150.00   56
 30  ω     44.00 103.00   0.50    2.00    --  113.25-125.00 -60.00  118
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0085852000
_diffrn_orient_matrix_UB_12      0.0311148000
_diffrn_orient_matrix_UB_13      -0.0358370000
_diffrn_orient_matrix_UB_21      0.0381667000
_diffrn_orient_matrix_UB_22      0.0681660000
_diffrn_orient_matrix_UB_23      0.0132797000
_diffrn_orient_matrix_UB_31      0.0760702000
_diffrn_orient_matrix_UB_32      -0.0306690000
_diffrn_orient_matrix_UB_33      -0.0069444000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                25953
_reflns_number_total             29278
_reflns_odcompleteness_completeness 99.83
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     74.33
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.634
_refine_diff_density_min         -1.514
_refine_diff_density_rms         0.163
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.919
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3277
_refine_ls_number_reflns         29278
_refine_ls_number_restraints     15976
_refine_ls_R_factor_all          0.1243
_refine_ls_R_factor_gt           0.1186
_refine_ls_restrained_S_all      2.149
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3773
_refine_ls_wR_factor_ref         0.3889
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 F9-C50
 1.35 with sigma of 0.02
 F13_6-F10_6
 -2.8 with sigma of 0.02
 C58-C57 = C57-C56 = C56-C55 = C55-C54 = C54-C53
 1.5 with sigma of 0.02
 F9_1-F14_18 = F12_2-F10_5
 -2.8 with sigma of 0.02
 F9_1-F15_18
 -2.8 with sigma of 0.02
 F8_16-F10_16
 -2.8 with sigma of 0.02
 F9_18-F13_21
 -2.8 with sigma of 0.02
 F14_18-F11_18
 -2.8 with sigma of 0.02
 F9-C49 \\sim F9-C51
 with sigma of 0.02
 Al3-O1_12 \\sim Al3-O1_13 \\sim Al3-O1_9 \\sim Al3-O1_14 \\sim Al4-O1_15 \\sim
Al4-O1_10 \\sim Al4-
 O1_11 \\sim Al4-O1_16 \\sim Al3-O1_7 \\sim Al3-O1_17
 with sigma of 0.02
3. Restrained planarity
 F9, C47, C48, C49, C50, C51, C52
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08
F7_5 \\sim F8_5 \\sim F9_5 \\sim F10_5 \\sim F11_5 \\sim F12_5 \\sim F13_5
\\sim F14_5 \\sim F15_5 \\sim O1_5 \\sim C47_5 \\sim C48_5 \\sim C49_5 \\sim
C50_5 \\sim F7_19 \\sim F8_19 \\sim F9_19 \\sim F10_19 \\sim F11_19 \\sim
F12_19 \\sim F13_19 \\sim F14_19 \\sim F15_19 \\sim O1_19 \\sim C47_19 \\sim
C48_19 \\sim C49_19 \\sim C50_19: within 2A with sigma of 0.02 and sigma for
terminal atoms of 0.04
F7_6 \\sim F8_6 \\sim F9_6 \\sim F10_6 \\sim F11_6 \\sim F12_6 \\sim F13_6
\\sim F14_6 \\sim F15_6 \\sim O1_6 \\sim C47_6 \\sim C48_6 \\sim C49_6 \\sim
C50_6 \\sim F7_18 \\sim F8_18 \\sim F9_18 \\sim F10_18 \\sim F11_18 \\sim
F12_18 \\sim F13_18 \\sim F14_18 \\sim F15_18 \\sim O1_18 \\sim C47_18 \\sim
C48_18 \\sim C49_18 \\sim C50_18: within 2A with sigma of 0.02 and sigma for
terminal atoms of 0.04
5. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Same fragment restrains
{F7_2, F8_2, F9_2, F10_2, F11_2, F12_2, F13_2, F14_2, F15_2, O1_2, C47_2,
C48_2, C49_2, C50_2}
{F7_3, F8_3, F9_3, F10_3, F11_3, F12_3, F13_3, F14_3, F15_3, O1_3, C47_3,
C48_3, C49_3, C50_3}
{F7_4, F8_4, F9_4, F10_4, F11_4, F12_4, F13_4, F14_4, F15_4, O1_4, C47_4,
C48_4, C49_4, C50_4}
{F7_5, F8_5, F9_5, F10_5, F11_5, F12_5, F13_5, F14_5, F15_5, O1_5, C47_5,
C48_5, C49_5, C50_5}
{F7_6, F8_6, F9_6, F10_6, F11_6, F12_6, F13_6, F14_6, F15_6, O1_6, C47_6,
C48_6, C49_6, C50_6}
{F7_7, F8_7, F9_7, F10_7, F11_7, F12_7, F13_7, F14_7, F15_7, O1_7, C47_7,
C48_7, C49_7, C50_7}
{F7_8, F8_8, F9_8, F10_8, F11_8, F12_8, F13_8, F14_8, F15_8, O1_8, C47_8,
C48_8, C49_8, C50_8}
{F7_9, F8_9, F9_9, F10_9, F11_9, F12_9, F13_9, F14_9, F15_9, O1_9, C47_9,
C48_9, C49_9, C50_9}
{F7_10, F8_10, F9_10, F10_10, F11_10, F12_10, F13_10, F14_10, F15_10, O1_10,
C47_10, C48_10, C49_10, C50_10}
{F7_11, F8_11, F9_11, F10_11, F11_11, F12_11, F13_11, F14_11, F15_11, O1_11,
C47_11, C48_11, C49_11, C50_11}
{F7_12, F8_12, F9_12, F10_12, F11_12, F12_12, F13_12, F14_12, F15_12, O1_12,
C47_12, C48_12, C49_12, C50_12}
{F7_13, F8_13, F9_13, F10_13, F11_13, F12_13, F13_13, F14_13, F15_13, O1_13,
C47_13, C48_13, C49_13, C50_13}
{F7_14, F8_14, F9_14, F10_14, F11_14, F12_14, F13_14, F14_14, F15_14, O1_14,
C47_14, C48_14, C49_14, C50_14}
{F7_15, F8_15, F9_15, F10_15, F11_15, F12_15, F13_15, F14_15, F15_15, O1_15,
C47_15, C48_15, C49_15, C50_15}
{F7_16, F8_16, F9_16, F10_16, F11_16, F12_16, F13_16, F14_16, F15_16, O1_16,
C47_16, C48_16, C49_16, C50_16}
{F7_17, F8_17, F9_17, F10_17, F11_17, F12_17, F13_17, F14_17, F15_17, O1_17,
C47_17, C48_17, C49_17, C50_17}
{F7_18, F8_18, F9_18, F10_18, F11_18, F12_18, F13_18, F14_18, F15_18, O1_18,
C47_18, C48_18, C49_18, C50_18}
{F7_19, F8_19, F9_19, F10_19, F11_19, F12_19, F13_19, F14_19, F15_19, O1_19,
C47_19, C48_19, C49_19, C50_19}
{F7_20, F8_20, F9_20, F10_20, F11_20, F12_20, F13_20, F14_20, F15_20, O1_20,
C47_20, C48_20, C49_20, C50_20}
{F7_21, F8_21, F9_21, F10_21, F11_21, F12_21, F13_21, F14_21, F15_21, O1_21,
C47_21, C48_21, C49_21, C50_21}
as
{F7_1, F8_1, F9_1, F10_1, F11_1, F12_1, F13_1, F14_1, F15_1, O1_1, C47_1,
C48_1, C49_1, C50_1} sigma for 1-2: 0.02 1-3: 0.04
7. Others
 Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=
 Sof(O1)=Sof(C47)=Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=
 Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=Sof(C48)=
 Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=
 Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=
 Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=
 Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=
 Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=
 Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=
 Sof(C47)=Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=
 Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=Sof(C48)=Sof(C49)=
 Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=
 Sof(F15)=Sof(O1)=Sof(C47)=Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=
 Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=
 Sof(C48)=Sof(C49)=Sof(C50)=1-FVAR(1)
 Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=
 Sof(O1)=Sof(C47)=Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=
 Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=Sof(C48)=
 Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=
 Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=
 Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=
 Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=
 Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=
 Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=
 Sof(C47)=Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=
 Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=Sof(C48)=Sof(C49)=
 Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=
 Sof(F15)=Sof(O1)=Sof(C47)=Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=
 Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=
 Sof(C48)=Sof(C49)=Sof(C50)=FVAR(1)
 Fixed Sof: F9(0.5) C47(0.5) H47(0.5) C48(0.5) H48(0.5) C49(0.5) H49(0.5)
 C50(0.5) C51(0.5) H51(0.5) C52(0.5) H52(0.5)
8.a Secondary CH2 refined with riding coordinates:
 C54(H54A,H54B), C55(H55A,H55B), C56(H56A,H56B), C57(H57A,H57B)
8.b Me refined with riding coordinates:
 C53(H53A,H53B,H53C), C58(H58A,H58B,H58C)
8.c Aromatic/amide H refined with riding coordinates:
 C12(H12), C13(H13), C14(H14), C15(H15), C16(H16), C18(H18), C19(H19),
 C20(H20), C21(H21), C22(H22), C24(H24), C25(H25), C26(H26), C27(H27), C28(H28),
  C30(H30), C31(H31), C32(H32), C33(H33), C34(H34), C36(H36), C37(H37),
 C38(H38), C39(H39), C40(H40), C42(H42), C43(H43), C44(H44), C45(H45), C46(H46),
  C47(H47), C48(H48), C49(H49), C51(H51), C52(H52)
8.d Fitted hexagon refined as free rotating group:
 C29(C30,C31,C32,C33,C34), C47(C48,C49,C50,C51,C52)
8.e Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,
 H10B,H10C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   diffmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Y1 Y 0.99686(2) 0.83268(2) 0.57673(2) 0.02943(16) Uani 1 1 d . U . . .
F1 F 0.97754(16) 0.76520(16) 0.62557(6) 0.0463(6) Uani 1 1 d . U . . .
F2 F 0.99478(14) 0.71339(13) 0.55845(6) 0.0391(5) Uani 1 1 d . U . . .
F3 F 1.11554(15) 0.78206(16) 0.59167(8) 0.0476(6) Uani 1 1 d . U . . .
F4 F 1.06021(16) 0.89798(18) 0.62052(8) 0.0514(7) Uani 1 1 d . U . . .
F5 F 0.91415(15) 0.90724(16) 0.60452(7) 0.0447(6) Uani 1 1 d . U . . .
F6 F 0.87262(13) 0.78876(15) 0.56926(6) 0.0399(5) Uani 1 1 d . U . . .
C1 C 0.9502(2) 0.9140(2) 0.52826(11) 0.0404(9) Uani 1 1 d . U . . .
C2 C 0.9686(2) 0.8498(2) 0.51273(10) 0.0373(8) Uani 1 1 d . U . . .
C3 C 1.0468(2) 0.8410(2) 0.51834(11) 0.0370(8) Uani 1 1 d . U . . .
C4 C 1.0765(2) 0.9002(2) 0.53665(11) 0.0383(8) Uani 1 1 d . U . . .
C5 C 1.0165(3) 0.9454(2) 0.54295(11) 0.0403(8) Uani 1 1 d . U . . .
C6 C 0.8741(3) 0.9469(4) 0.52634(15) 0.0592(15) Uani 1 1 d . U . . .
H6A H 0.857035 0.949670 0.548999 0.089 Uiso 1 1 calc GR . . . .
H6B H 0.839367 0.918200 0.511917 0.089 Uiso 1 1 calc GR . . . .
H6C H 0.876389 0.994318 0.516851 0.089 Uiso 1 1 calc GR . . . .
C7 C 0.9161(3) 0.8029(3) 0.49219(12) 0.0517(12) Uani 1 1 d . U . . .
H7A H 0.866468 0.806656 0.500234 0.078 Uiso 1 1 calc GR . . . .
H7B H 0.933392 0.754198 0.494376 0.078 Uiso 1 1 calc GR . . . .
H7C H 0.913913 0.817173 0.468483 0.078 Uiso 1 1 calc GR . . . .
C8 C 1.0916(3) 0.7843(3) 0.50417(13) 0.0516(11) Uani 1 1 d . U . . .
H8A H 1.065511 0.739371 0.505478 0.077 Uiso 1 1 calc GR . . . .
H8B H 1.140126 0.781313 0.517117 0.077 Uiso 1 1 calc GR . . . .
H8C H 1.098580 0.794942 0.480575 0.077 Uiso 1 1 calc GR . . . .
C9 C 1.1580(3) 0.9150(3) 0.54456(14) 0.0523(12) Uani 1 1 d . U . . .
H9A H 1.178612 0.882025 0.561802 0.078 Uiso 1 1 calc GR . . . .
H9B H 1.164454 0.963219 0.552953 0.078 Uiso 1 1 calc GR . . . .
H9C H 1.183843 0.909425 0.524097 0.078 Uiso 1 1 calc GR . . . .
C10 C 1.0209(4) 1.0173(3) 0.55883(14) 0.0562(13) Uani 1 1 d . U . . .
H10A H 1.057507 1.016806 0.578471 0.084 Uiso 1 1 calc GR . . . .
H10B H 0.972130 1.030278 0.565938 0.084 Uiso 1 1 calc GR . . . .
H10C H 1.035950 1.051682 0.542392 0.084 Uiso 1 1 calc GR . . . .
C11 C 0.9963(3) 0.7535(2) 0.66046(10) 0.0387(8) Uani 1 1 d . U . . .
C12 C 1.0626(3) 0.7206(3) 0.66900(12) 0.0454(10) Uani 1 1 d . U . . .
H12 H 1.093244 0.704315 0.652425 0.054 Uiso 1 1 calc R . . . .
C13 C 1.0826(3) 0.7124(3) 0.70315(13) 0.0550(12) Uani 1 1 d . U . . .
H13 H 1.127729 0.689476 0.710599 0.066 Uiso 1 1 calc R . . . .
C14 C 1.0373(4) 0.7373(4) 0.72591(14) 0.0686(16) Uani 1 1 d . U . . .
H14 H 1.052454 0.733435 0.749267 0.082 Uiso 1 1 calc R . . . .
C15 C 0.9697(5) 0.7682(4) 0.71602(15) 0.0728(18) Uani 1 1 d . U . . .
H15 H 0.938178 0.783871 0.732409 0.087 Uiso 1 1 calc R . . . .
C16 C 0.9482(3) 0.7761(3) 0.68203(13) 0.0520(11) Uani 1 1 d . U . . .
H16 H 0.901737 0.796417 0.674332 0.062 Uiso 1 1 calc R . . . .
C17 C 0.9564(2) 0.6503(2) 0.56417(11) 0.0382(8) Uani 1 1 d . U . . .
C18 C 0.8945(3) 0.6353(3) 0.54279(14) 0.0501(11) Uani 1 1 d . U . . .
H18 H 0.877886 0.665791 0.524812 0.060 Uiso 1 1 calc R . . . .
C19 C 0.8579(4) 0.5734(4) 0.54893(18) 0.0651(15) Uani 1 1 d . U . . .
H19 H 0.815700 0.559868 0.534520 0.078 Uiso 1 1 calc R . . . .
C20 C 0.8823(4) 0.5310(4) 0.5759(2) 0.0716(17) Uani 1 1 d . U . . .
H20 H 0.855924 0.489274 0.580215 0.086 Uiso 1 1 calc R . . . .
C21 C 0.9444(4) 0.5489(3) 0.59634(18) 0.0652(15) Uani 1 1 d . U . . .
H21 H 0.960250 0.519304 0.614766 0.078 Uiso 1 1 calc R . . . .
C22 C 0.9844(3) 0.6093(3) 0.59076(14) 0.0499(11) Uani 1 1 d . U . . .
H22 H 1.028235 0.621572 0.604379 0.060 Uiso 1 1 calc R . . . .
C23 C 1.1757(2) 0.7342(3) 0.59806(12) 0.0431(9) Uani 1 1 d . U . . .
C24 C 1.1764(3) 0.6754(3) 0.57845(16) 0.0542(12) Uani 1 1 d . U . . .
H24 H 1.138884 0.666816 0.560706 0.065 Uiso 1 1 calc R . . . .
C25 C 1.2344(4) 0.6292(4) 0.5858(2) 0.0704(16) Uani 1 1 d . U . . .
H25 H 1.236889 0.587364 0.572907 0.085 Uiso 1 1 calc R . . . .
C26 C 1.2885(4) 0.6423(5) 0.6113(2) 0.0816(19) Uani 1 1 d . U . . .
H26 H 1.328297 0.610037 0.615842 0.098 Uiso 1 1 calc R . . . .
C27 C 1.2850(3) 0.7036(5) 0.63080(19) 0.0730(17) Uani 1 1 d . U . . .
H27 H 1.322187 0.712585 0.648648 0.088 Uiso 1 1 calc R . . . .
C28 C 1.2269(3) 0.7516(4) 0.62395(16) 0.0589(13) Uani 1 1 d . U . . .
H28 H 1.223313 0.793658 0.636551 0.071 Uiso 1 1 calc R . . . .
C29 C 1.1150(2) 0.9154(2) 0.64507(8) 0.0497(11) Uani 1 1 d . U . . .
C30 C 1.1810(2) 0.9444(3) 0.63594(9) 0.084(2) Uani 1 1 d G U . . .
H30 H 1.187620 0.952503 0.612856 0.101 Uiso 1 1 calc R . . . .
C31 C 1.2372(2) 0.9617(4) 0.66059(13) 0.112(4) Uani 1 1 d G U . . .
H31 H 1.282271 0.981600 0.654354 0.135 Uiso 1 1 calc R . . . .
C32 C 1.2275(3) 0.9499(4) 0.69437(11) 0.097(3) Uani 1 1 d G U . . .
H32 H 1.265900 0.961760 0.711215 0.116 Uiso 1 1 calc R . . . .
C33 C 1.1615(3) 0.9209(3) 0.70349(8) 0.0784(19) Uani 1 1 d G U . . .
H33 H 1.154877 0.912826 0.726579 0.094 Uiso 1 1 calc R . . . .
C34 C 1.1053(2) 0.9036(2) 0.67884(9) 0.0628(14) Uani 1 1 d G U . . .
H34 H 1.060224 0.883731 0.685081 0.075 Uiso 1 1 calc R . . . .
C35 C 0.8937(2) 0.9423(2) 0.63358(11) 0.0401(9) Uani 1 1 d . U . . .
C36 C 0.9372(3) 0.9968(3) 0.64589(14) 0.0511(11) Uani 1 1 d . U . . .
H36 H 0.980062 1.010739 0.635372 0.061 Uiso 1 1 calc R . . . .
C37 C 0.9160(4) 1.0314(3) 0.67469(18) 0.0656(15) Uani 1 1 d . U . . .
H37 H 0.943823 1.070589 0.683595 0.079 Uiso 1 1 calc R . . . .
C38 C 0.8553(4) 1.0086(4) 0.68992(19) 0.0727(18) Uani 1 1 d . U . . .
H38 H 0.842838 1.030237 0.710194 0.087 Uiso 1 1 calc R . . . .
C39 C 0.8107(4) 0.9529(4) 0.67558(18) 0.0653(15) Uani 1 1 d . U . . .
H39 H 0.767085 0.939150 0.685569 0.078 Uiso 1 1 calc R . . . .
C40 C 0.8306(3) 0.9189(3) 0.64739(14) 0.0498(11) Uani 1 1 d . U . . .
H40 H 0.802175 0.880798 0.637751 0.060 Uiso 1 1 calc R . . . .
C41 C 0.8069(2) 0.7769(3) 0.58530(12) 0.0412(9) Uani 1 1 d . U . . .
C42 C 0.8072(3) 0.7240(3) 0.60845(13) 0.0480(10) Uani 1 1 d . U . . .
H42 H 0.848952 0.693949 0.612846 0.058 Uiso 1 1 calc R . . . .
C43 C 0.7433(3) 0.7162(4) 0.62527(17) 0.0626(14) Uani 1 1 d . U . . .
H43 H 0.741615 0.681304 0.642258 0.075 Uiso 1 1 calc R . . . .
C44 C 0.6830(3) 0.7582(5) 0.6176(2) 0.0722(17) Uani 1 1 d . U . . .
H44 H 0.639548 0.751901 0.629091 0.087 Uiso 1 1 calc R . . . .
C45 C 0.6843(3) 0.8096(4) 0.5933(2) 0.0725(18) Uani 1 1 d . U . . .
H45 H 0.641445 0.837695 0.587954 0.087 Uiso 1 1 calc R . . . .
C46 C 0.7485(3) 0.8210(3) 0.57626(18) 0.0576(13) Uani 1 1 d . U . . .
H46 H 0.751138 0.856679 0.559713 0.069 Uiso 1 1 calc R . . . .
Al1 Al -0.07471(6) 0.67398(6) 0.30853(3) 0.0308(3) Uani 1 1 d . U . . .
Al2 Al 0.07220(7) 0.62232(7) 0.26103(3) 0.0380(3) Uani 1 1 d . U . . .
F7 F -0.00022(13) 0.65031(13) 0.28503(6) 0.0361(5) Uani 1 1 d . U . . .
Al3 Al 0.56582(7) 0.75709(8) 0.42095(3) 0.0415(3) Uani 1 1 d D U . . .
Al4 Al 0.40249(6) 0.77469(7) 0.46162(3) 0.0348(3) Uani 1 1 d D U . . .
F8 F 0.48772(13) 0.76857(16) 0.44390(7) 0.0443(6) Uani 1 1 d . U . . .
F9 F 1.1055(9) 0.5661(9) 0.5214(4) 0.171(8) Uani 0.5 1 d D U P A -1
C47 C 0.9164(7) 0.4594(10) 0.4867(4) 0.107(6) Uani 0.5 1 d . U P A -1
H47 H 0.872529 0.434823 0.478758 0.128 Uiso 0.5 1 calc R . P A -1
C48 C 0.9592(8) 0.4354(8) 0.5151(4) 0.095(5) Uani 0.5 1 d G U P A -1
H48 H 0.944690 0.394499 0.526486 0.114 Uiso 0.5 1 calc R . P A -1
C49 C 1.0233(7) 0.4713(7) 0.5267(3) 0.081(4) Uani 0.5 1 d DG U P A -1
H49 H 1.052643 0.454975 0.546105 0.097 Uiso 0.5 1 calc R . P A -1
C50 C 1.0446(6) 0.5312(6) 0.5100(3) 0.091(5) Uani 0.5 1 d DG U P A -1
C51 C 1.0017(8) 0.5552(7) 0.4817(3) 0.104(6) Uani 0.5 1 d DG U P A -1
H51 H 1.016279 0.596099 0.470265 0.125 Uiso 0.5 1 calc R . P A -1
C52 C 0.9376(7) 0.5193(10) 0.4700(3) 0.115(6) Uani 0.5 1 d G U P A -1
H52 H 0.908324 0.535625 0.450647 0.138 Uiso 0.5 1 calc R . P A -1
C53 C 0.5225(18) 0.5330(11) 0.2578(7) 0.254(13) Uani 1 1 d D U . . .
H53A H 0.498216 0.550931 0.236525 0.381 Uiso 1 1 calc R . . . .
H53B H 0.546808 0.571868 0.270548 0.381 Uiso 1 1 calc R . . . .
H53C H 0.559772 0.497802 0.252945 0.381 Uiso 1 1 calc R . . . .
C54 C 0.4661(13) 0.5003(12) 0.2778(5) 0.190(8) Uani 1 1 d D U . . .
H54A H 0.441074 0.461582 0.264718 0.228 Uiso 1 1 calc R . . . .
H54B H 0.428097 0.535721 0.282339 0.228 Uiso 1 1 calc R . . . .
C55 C 0.5012(14) 0.4721(11) 0.3107(5) 0.201(8) Uani 1 1 d D U . . .
H55A H 0.531167 0.430449 0.305606 0.241 Uiso 1 1 calc R . . . .
H55B H 0.536067 0.508090 0.320583 0.241 Uiso 1 1 calc R . . . .
C56 C 0.4517(12) 0.4514(10) 0.3369(5) 0.182(6) Uani 1 1 d D U . . .
H56A H 0.419312 0.412980 0.327387 0.218 Uiso 1 1 calc R . . . .
H56B H 0.418971 0.491950 0.340498 0.218 Uiso 1 1 calc R . . . .
C57 C 0.4857(14) 0.4270(15) 0.3718(6) 0.221(10) Uani 1 1 d D U . . .
H57A H 0.517226 0.384678 0.370571 0.265 Uiso 1 1 calc R . . . .
H57B H 0.513884 0.464771 0.384371 0.265 Uiso 1 1 calc R . . . .
C58 C 0.4117(18) 0.4112(15) 0.3860(7) 0.258(13) Uani 1 1 d D U . . .
H58A H 0.420752 0.394152 0.409232 0.387 Uiso 1 1 calc R . . . .
H58B H 0.381685 0.454181 0.385791 0.387 Uiso 1 1 calc R . . . .
H58C H 0.384981 0.375207 0.372184 0.387 Uiso 1 1 calc R . . . .
F7_1 F -0.0887(2) 0.4993(3) 0.18206(13) 0.0869(13) Uani 1 1 d D U . . .
F8_1 F 0.0027(3) 0.4691(2) 0.21724(12) 0.0801(11) Uani 1 1 d D U . . .
F9_1 F -0.0809(3) 0.5461(3) 0.22937(12) 0.0854(12) Uani 1 1 d D U . . .
F10_1 F -0.0585(4) 0.6038(4) 0.13968(12) 0.1144(19) Uani 1 1 d D U . . .
F11_1 F -0.1059(3) 0.6451(3) 0.18256(15) 0.1056(17) Uani 1 1 d D U . . .
F12_1 F -0.0057(4) 0.6929(3) 0.16527(14) 0.1131(19) Uani 1 1 d D U . . .
F13_1 F 0.0431(3) 0.5033(4) 0.15307(15) 0.117(2) Uani 1 1 d D U . . .
F14_1 F 0.1016(5) 0.5990(4) 0.1564(2) 0.154(3) Uani 1 1 d D U . . .
F15_1 F 0.1240(3) 0.5254(4) 0.19461(18) 0.1106(18) Uani 1 1 d D U . . .
O1_1 O 0.0337(3) 0.6199(2) 0.22051(10) 0.0620(10) Uani 1 1 d D U . . .
C47_1 C 0.0080(3) 0.5848(3) 0.19356(12) 0.0604(13) Uani 1 1 d D U . . .
C48_1 C -0.0414(4) 0.5228(4) 0.20585(17) 0.0691(14) Uani 1 1 d D U . . .
C49_1 C -0.0421(5) 0.6320(4) 0.16918(16) 0.0833(19) Uani 1 1 d D U . . .
C50_1 C 0.0695(4) 0.5521(5) 0.17426(19) 0.092(2) Uani 1 1 d D U . . .
F7_2 F 0.0598(5) 0.7303(5) 0.42539(16) 0.089(3) Uani 0.589(2) 1 d D U P B 1
F8_2 F -0.0483(5) 0.6795(4) 0.42059(17) 0.0688(18) Uani 0.589(2) 1 d D U P B 1
F9_2 F 0.0448(4) 0.6322(3) 0.39891(16) 0.0609(13) Uani 0.589(2) 1 d D U P B 1
F10_2 F 0.0842(5) 0.8240(4) 0.37476(18) 0.077(2) Uani 0.589(2) 1 d D U P B 1
F11_2 F 0.1168(5) 0.7190(6) 0.3599(3) 0.087(3) Uani 0.589(2) 1 d D U P B 1
F12_2 F 0.0466(3) 0.7850(3) 0.32607(12) 0.0573(13) Uani 0.589(2) 1 d D U P B 1
F13_2 F -0.0479(7) 0.8252(5) 0.4063(2) 0.097(3) Uani 0.589(2) 1 d D U P B 1
F14_2 F -0.0655(5) 0.8402(3) 0.35291(18) 0.0727(19) Uani 0.589(2) 1 d D U P B 1
F15_2 F -0.1311(4) 0.7650(4) 0.3786(2) 0.086(2) Uani 0.589(2) 1 d D U P B 1
O1_2 O -0.0377(3) 0.6861(3) 0.34866(12) 0.0326(10) Uani 0.589(2) 1 d D U P B 1
C47_2 C -0.0079(4) 0.7329(4) 0.37132(19) 0.0355(16) Uani 0.589(2) 1 d D U P B 1
C48_2 C 0.0123(5) 0.6927(4) 0.40487(18) 0.0564(18) Uani 0.589(2) 1 d D U P B 1
C49_2 C 0.0627(4) 0.7658(4) 0.3587(2) 0.0536(17) Uani 0.589(2) 1 d D U P B 1
C50_2 C -0.0637(6) 0.7920(4) 0.3773(2) 0.066(2) Uani 0.589(2) 1 d D U P B 1
F7_3 F 0.2708(4) 0.4593(5) 0.2883(3) 0.175(4) Uani 1 1 d D U . . .
F8_3 F 0.1925(6) 0.4435(4) 0.24653(18) 0.168(4) Uani 1 1 d D U . . .
F9_3 F 0.2267(4) 0.5465(4) 0.2556(2) 0.139(3) Uani 1 1 d D U . . .
F10_3 F 0.2099(5) 0.4847(5) 0.34920(19) 0.152(3) Uani 1 1 d D U . . .
F11_3 F 0.1218(5) 0.5567(3) 0.34392(16) 0.126(2) Uani 1 1 d D U . . .
F12_3 F 0.2299(4) 0.5755(5) 0.3217(2) 0.157(4) Uani 1 1 d D U . . .
F13_3 F 0.1630(4) 0.3755(3) 0.30650(19) 0.124(2) Uani 1 1 d D U . . .
F14_3 F 0.0706(4) 0.4260(3) 0.32418(18) 0.1118(19) Uani 1 1 d D U . . .
F15_3 F 0.0708(6) 0.4048(3) 0.27216(17) 0.144(3) Uani 1 1 d D U . . .
O1_3 O 0.0962(2) 0.5427(2) 0.27800(12) 0.0603(10) Uani 1 1 d D U . . .
C47_3 C 0.1466(4) 0.4990(3) 0.29404(16) 0.0693(15) Uani 1 1 d D U . . .
C48_3 C 0.2139(5) 0.4879(5) 0.2719(3) 0.118(3) Uani 1 1 d D U . . .
C49_3 C 0.1760(5) 0.5292(4) 0.3284(2) 0.100(2) Uani 1 1 d D U . . .
C50_3 C 0.1116(5) 0.4265(4) 0.2994(2) 0.086(2) Uani 1 1 d D U . . .
F7_4 F -0.1609(9) 0.8712(8) 0.2287(4) 0.183(7) Uani 0.589(2) 1 d D U P B 1
F8_4 F -0.0683(6) 0.8676(6) 0.2651(3) 0.102(3) Uani 0.589(2) 1 d D U P B 1
F9_4 F -0.0862(7) 0.7813(9) 0.2247(3) 0.149(5) Uani 0.589(2) 1 d D U P B 1
F10_4 F -0.2369(6) 0.7496(6) 0.2171(2) 0.097(3) Uani 0.589(2) 1 d D U P B 1
F11_4 F -0.2675(4) 0.7028(4) 0.26221(19) 0.0708(17) Uani 0.589(2) 1 d D U P B 1
F12_4 F -0.1707(4) 0.6678(4) 0.23983(17) 0.084(2) Uani 0.589(2) 1 d D U P B 1
F13_4 F -0.2741(6) 0.8417(7) 0.2670(4) 0.144(5) Uani 0.589(2) 1 d D U P B 1
F14_4 F -0.2401(6) 0.7945(6) 0.3133(3) 0.099(3) Uani 0.589(2) 1 d D U P B 1
F15_4 F -0.1764(6) 0.8833(4) 0.2984(3) 0.116(4) Uani 0.589(2) 1 d D U P B 1
O1_4 O -0.1164(6) 0.7456(5) 0.2926(2) 0.059(2) Uani 0.589(2) 1 d D U P B 1
C47_4 C -0.1623(5) 0.7773(5) 0.2687(2) 0.049(2) Uani 0.589(2) 1 d D U P B 1
C48_4 C -0.1171(7) 0.8255(7) 0.2461(3) 0.105(4) Uani 0.589(2) 1 d D U P B 1
C49_4 C -0.2118(4) 0.7248(5) 0.2463(2) 0.0575(19) Uani 0.589(2) 1 d D U P B 1
C50_4 C -0.2139(6) 0.8256(6) 0.2872(3) 0.082(3) Uani 0.589(2) 1 d D U P B 1
F7_5 F 0.1562(5) 0.8581(3) 0.2419(2) 0.086(2) Uani 0.589(2) 1 d D U P B 1
F8_5 F 0.1090(7) 0.7739(5) 0.21000(19) 0.100(3) Uani 0.589(2) 1 d D U P B 1
F9_5 F 0.0681(4) 0.8005(5) 0.2565(2) 0.085(2) Uani 0.589(2) 1 d D U P B 1
F10_5 F 0.1804(9) 0.8256(6) 0.3019(5) 0.155(6) Uani 0.589(2) 1 d D U P B 1
F11_5 F 0.2814(10) 0.8096(11) 0.2830(5) 0.132(5) Uani 0.589(2) 1 d D U P B 1
F12_5 F 0.2351(11) 0.7302(9) 0.3182(3) 0.140(5) Uani 0.589(2) 1 d D U P B 1
F13_5 F 0.2654(6) 0.7662(6) 0.2184(4) 0.130(4) Uani 0.589(2) 1 d D U P B 1
F14_5 F 0.2939(6) 0.6775(7) 0.2505(4) 0.116(3) Uani 0.589(2) 1 d D U P B 1
F15_5 F 0.2066(6) 0.6681(5) 0.2142(2) 0.101(3) Uani 0.589(2) 1 d D U P B 1
O1_5 O 0.1449(5) 0.6812(6) 0.2692(4) 0.054(2) Uani 0.589(2) 1 d D U P B 1
C47_5 C 0.1807(5) 0.7391(5) 0.2608(3) 0.061(2) Uani 0.589(2) 1 d D U P B 1
C48_5 C 0.1301(5) 0.7940(5) 0.2416(2) 0.0601(19) Uani 0.589(2) 1 d D U P B 1
C49_5 C 0.2224(8) 0.7747(8) 0.2922(4) 0.102(3) Uani 0.589(2) 1 d D U P B 1
C50_5 C 0.2390(7) 0.7148(6) 0.2360(3) 0.098(3) Uani 0.589(2) 1 d D U P B 1
F7_6 F -0.2319(8) 0.5264(6) 0.3684(3) 0.123(4) Uani 0.589(2) 1 d D U P B 1
F8_6 F -0.1239(5) 0.5713(4) 0.37906(15) 0.091(2) Uani 0.589(2) 1 d D U P B 1
F9_6 F -0.2116(6) 0.6344(4) 0.3569(3) 0.106(3) Uani 0.589(2) 1 d D U P B 1
F10_6 F -0.2529(6) 0.4613(5) 0.3114(3) 0.119(3) Uani 0.589(2) 1 d D U P B 1
F11_6 F -0.2915(4) 0.5644(6) 0.3029(3) 0.104(3) Uani 0.589(2) 1 d D U P B 1
F12_6 F -0.2214(7) 0.5185(6) 0.2680(2) 0.112(3) Uani 0.589(2) 1 d D U P B 1
F13_6 F -0.1177(6) 0.4456(5) 0.3474(3) 0.117(3) Uani 0.589(2) 1 d D U P B 1
F14_6 F -0.1092(8) 0.4566(5) 0.2934(3) 0.114(4) Uani 0.589(2) 1 d D U P B 1
F15_6 F -0.0423(4) 0.5217(5) 0.3366(3) 0.114(3) Uani 0.589(2) 1 d D U P B 1
O1_6 O -0.1321(4) 0.6025(4) 0.30544(17) 0.0506(15) Uani 0.589(2) 1 d D U P B 1
C47_6 C -0.1646(5) 0.5496(5) 0.3212(2) 0.0511(17) Uani 0.589(2) 1 d D U P B 1
C48_6 C -0.1836(6) 0.5705(6) 0.3569(3) 0.080(2) Uani 0.589(2) 1 d D U P B 1
C49_6 C -0.2345(6) 0.5242(6) 0.3005(3) 0.090(3) Uani 0.589(2) 1 d D U P B 1
C50_6 C -0.1054(6) 0.4916(5) 0.3234(3) 0.085(3) Uani 0.589(2) 1 d D U P B 1
F7_7 F 0.7127(5) 0.6388(7) 0.5126(2) 0.110(3) Uani 0.589(2) 1 d D U P B 1
F8_7 F 0.6363(9) 0.7207(6) 0.4992(4) 0.076(3) Uani 0.589(2) 1 d D U P B 1
F9_7 F 0.5974(5) 0.6143(5) 0.5039(2) 0.087(2) Uani 0.589(2) 1 d D U P B 1
F10_7 F 0.6951(6) 0.5227(5) 0.4698(3) 0.118(4) Uani 0.589(2) 1 d D U P B 1
F11_7 F 0.6792(7) 0.5474(5) 0.4175(3) 0.106(3) Uani 0.589(2) 1 d D U P B 1
F12_7 F 0.5834(7) 0.5390(7) 0.4492(5) 0.125(6) Uani 0.589(2) 1 d D U P B 1
F13_7 F 0.7923(4) 0.6233(5) 0.4556(3) 0.097(3) Uani 0.589(2) 1 d D U P B 1
F14_7 F 0.7380(5) 0.6776(5) 0.4145(2) 0.088(2) Uani 0.589(2) 1 d D U P B 1
F15_7 F 0.7529(4) 0.7279(5) 0.4627(3) 0.093(2) Uani 0.589(2) 1 d D U P B 1
O1_7 O 0.6048(4) 0.6750(4) 0.43555(17) 0.0494(15) Uani 0.589(2) 1 d D U P B 1
C47_7 C 0.6591(5) 0.6400(5) 0.4550(2) 0.057(2) Uani 0.589(2) 1 d D U P B 1
C48_7 C 0.6525(6) 0.6544(6) 0.4931(2) 0.073(2) Uani 0.589(2) 1 d D U P B 1
C49_7 C 0.6540(6) 0.5604(5) 0.4469(3) 0.079(3) Uani 0.589(2) 1 d D U P B 1
C50_7 C 0.7372(5) 0.6669(6) 0.4472(3) 0.073(2) Uani 0.589(2) 1 d D U P B 1
F7_8 F 0.4926(4) 0.8959(4) 0.5663(2) 0.145(3) Uani 1 1 d D U . . .
F8_8 F 0.5524(3) 0.8437(3) 0.5302(2) 0.114(2) Uani 1 1 d D U . . .
F9_8 F 0.4672(4) 0.9088(4) 0.5116(3) 0.168(4) Uani 1 1 d D U . . .
F10_8 F 0.3356(3) 0.8861(3) 0.52788(12) 0.0944(16) Uani 1 1 d D U . . .
F11_8 F 0.3566(2) 0.8476(3) 0.57623(10) 0.0808(12) Uani 1 1 d D U . . .
F12_8 F 0.3046(2) 0.7797(3) 0.54035(19) 0.110(2) Uani 1 1 d D U . . .
F13_8 F 0.4752(6) 0.7652(4) 0.58971(15) 0.161(4) Uani 1 1 d D U . . .
F14_8 F 0.4137(3) 0.6944(3) 0.56093(16) 0.111(2) Uani 1 1 d D U . . .
F15_8 F 0.5225(3) 0.7170(4) 0.5502(2) 0.144(3) Uani 1 1 d D U . . .
O1_8 O 0.4228(3) 0.7742(3) 0.50351(10) 0.0697(12) Uani 1 1 d D U . . .
C47_8 C 0.4321(3) 0.8026(3) 0.53458(12) 0.0521(11) Uani 1 1 d D U . . .
C48_8 C 0.4868(3) 0.8661(4) 0.5374(2) 0.0810(18) Uani 1 1 d D U . . .
C49_8 C 0.3557(3) 0.8291(3) 0.54494(14) 0.0532(12) Uani 1 1 d D U . . .
C50_8 C 0.4627(3) 0.7431(3) 0.55901(14) 0.0582(12) Uani 1 1 d D U . . .
F7_9 F 0.4636(6) 0.7703(7) 0.29724(19) 0.115(3) Uani 0.589(2) 1 d D U P B 1
F8_9 F 0.4552(8) 0.8373(8) 0.3384(3) 0.124(5) Uani 0.589(2) 1 d D U P B 1
F9_9 F 0.5664(7) 0.8213(6) 0.3187(3) 0.119(4) Uani 0.589(2) 1 d D U P B 1
F10_9 F 0.5815(10) 0.6254(6) 0.3462(3) 0.120(5) Uani 0.589(2) 1 d D U P B 1
F11_9 F 0.6078(8) 0.7025(9) 0.3085(2) 0.074(3) Uani 0.589(2) 1 d D U P B 1
F12_9 F 0.6496(5) 0.7156(7) 0.3616(2) 0.079(3) Uani 0.589(2) 1 d D U P B 1
F13_9 F 0.4527(8) 0.6427(7) 0.3211(4) 0.144(5) Uani 0.589(2) 1 d D U P B 1
F14_9 F 0.4668(7) 0.6318(8) 0.3743(4) 0.147(5) Uani 0.589(2) 1 d D U P B 1
F15_9 F 0.3934(5) 0.7123(8) 0.3464(5) 0.153(5) Uani 0.589(2) 1 d D U P B 1
O1_9 O 0.5311(8) 0.7563(8) 0.3810(2) 0.066(3) Uani 0.589(2) 1 d D U P B 1
C47_9 C 0.5221(5) 0.7318(6) 0.3496(3) 0.063(3) Uani 0.589(2) 1 d D U P B 1
C48_9 C 0.5007(7) 0.7935(6) 0.3253(3) 0.085(3) Uani 0.589(2) 1 d D U P B 1
C49_9 C 0.5912(7) 0.6939(7) 0.3397(3) 0.070(3) Uani 0.589(2) 1 d D U P B 1
C50_9 C 0.4567(6) 0.6791(7) 0.3494(4) 0.091(3) Uani 0.589(2) 1 d D U P B 1
F7_10 F 0.1800(4) 0.9048(4) 0.4311(3) 0.102(3) Uani 0.589(2) 1 d D U P B 1
F8_10 F 0.2136(4) 0.8006(4) 0.4224(2) 0.0753(18) Uani 0.589(2) 1 d D U P B 1
F9_10 F 0.2443(5) 0.8449(6) 0.4708(2) 0.100(3) Uani 0.589(2) 1 d D U P B 1
F10_10 F 0.2773(5) 1.0061(4) 0.4156(3) 0.099(3) Uani 0.589(2) 1 d D U P B 1
F11_10 F 0.3897(4) 0.9850(5) 0.4298(4) 0.099(3) Uani 0.589(2) 1 d D U P B 1
F12_10 F 0.3068(8) 0.9753(7) 0.4662(3) 0.096(4) Uani 0.589(2) 1 d D U P B 1
F13_10 F 0.2423(7) 0.8986(6) 0.3719(3) 0.122(3) Uani 0.589(2) 1 d D U P B 1
F14_10 F 0.3559(9) 0.9154(8) 0.3737(3) 0.128(5) Uani 0.589(2) 1 d D U P B 1
F15_10 F 0.3139(9) 0.8117(5) 0.3783(3) 0.111(3) Uani 0.589(2) 1 d D U P B 1
O1_10 O 0.3665(4) 0.8486(4) 0.4415(3) 0.051(2) Uani 0.589(2) 1 d D U P B 1
C47_10 C 0.3114(4) 0.8865(4) 0.4258(2) 0.0441(19) Uani 0.589(2) 1 d D U P B 1
C48_10 C 0.2347(5) 0.8612(5) 0.4379(3) 0.065(2) Uani 0.589(2) 1 d D U P B 1
C49_10 C 0.3239(5) 0.9648(4) 0.4342(3) 0.067(2) Uani 0.589(2) 1 d D U P B 1
C50_10 C 0.3062(7) 0.8772(6) 0.3871(3) 0.078(3) Uani 0.589(2) 1 d D U P B 1
F7_11 F 0.3795(5) 0.5300(4) 0.4710(2) 0.084(2) Uani 0.589(2) 1 d D U P B 1
F8_11 F 0.4330(4) 0.5806(5) 0.4327(2) 0.095(2) Uani 0.589(2) 1 d D U P B 1
F9_11 F 0.4442(4) 0.6227(4) 0.4816(2) 0.090(2) Uani 0.589(2) 1 d D U P B 1
F10_11 F 0.2350(4) 0.5726(4) 0.4792(2) 0.0719(17) Uani 0.589(2) 1 d D U P B 1
F11_11 F 0.2278(4) 0.6835(4) 0.4763(3) 0.096(3) Uani 0.589(2) 1 d D U P B 1
F12_11 F 0.3162(4) 0.6300(5) 0.50778(18) 0.078(2) Uani 0.589(2) 1 d D U P B 1
F13_11 F 0.2790(11) 0.5455(7) 0.4143(4) 0.139(5) Uani 0.589(2) 1 d D U P B 1
F14_11 F 0.2178(5) 0.6281(8) 0.4132(3) 0.127(5) Uani 0.589(2) 1 d D U P B 1
F15_11 F 0.3192(6) 0.6362(10) 0.3903(2) 0.152(6) Uani 0.589(2) 1 d D U P B 1
O1_11 O 0.3515(6) 0.7047(4) 0.4448(2) 0.053(2) Uani 0.589(2) 1 d D U P B 1
C47_11 C 0.3268(5) 0.6395(5) 0.4503(2) 0.054(2) Uani 0.589(2) 1 d D U P B 1
C48_11 C 0.3970(5) 0.5899(5) 0.4605(3) 0.070(2) Uani 0.589(2) 1 d D U P B 1
C49_11 C 0.2736(5) 0.6326(5) 0.4781(2) 0.062(2) Uani 0.589(2) 1 d D U P B 1
C50_11 C 0.2903(5) 0.6138(6) 0.4165(2) 0.076(3) Uani 0.589(2) 1 d D U P B 1
F7_12 F 0.7057(8) 0.9729(6) 0.4661(3) 0.101(4) Uani 0.589(2) 1 d D U P B 1
F8_12 F 0.6044(7) 0.9308(11) 0.4781(3) 0.132(6) Uani 0.589(2) 1 d D U P B 1
F9_12 F 0.6977(6) 0.8679(7) 0.4886(2) 0.119(4) Uani 0.589(2) 1 d D U P B 1
F10_12 F 0.7451(6) 0.9447(6) 0.4039(2) 0.115(3) Uani 0.589(2) 1 d D U P B 1
F11_12 F 0.7350(7) 0.8447(10) 0.3900(4) 0.147(6) Uani 0.589(2) 1 d D U P B 1
F12_12 F 0.7829(5) 0.8631(9) 0.4404(3) 0.133(4) Uani 0.589(2) 1 d D U P B 1
F13_12 F 0.6044(8) 0.9947(5) 0.4156(4) 0.145(6) Uani 0.589(2) 1 d D U P B 1
F14_12 F 0.6103(6) 0.9121(5) 0.3761(2) 0.106(3) Uani 0.589(2) 1 d D U P B 1
F15_12 F 0.5284(4) 0.9116(6) 0.4108(4) 0.141(5) Uani 0.589(2) 1 d D U P B 1
O1_12 O 0.6261(4) 0.8183(4) 0.4344(2) 0.0633(18) Uani 0.589(2) 1 d D U P B 1
C47_12 C 0.6540(5) 0.8830(5) 0.4307(2) 0.052(2) Uani 0.589(2) 1 d D U P B 1
C48_12 C 0.6702(7) 0.9139(6) 0.4671(3) 0.079(3) Uani 0.589(2) 1 d D U P B 1
C49_12 C 0.7298(6) 0.8800(6) 0.4164(3) 0.076(3) Uani 0.589(2) 1 d D U P B 1
C50_12 C 0.5981(6) 0.9264(5) 0.4083(3) 0.085(3) Uani 0.589(2) 1 d D U P B 1
F7_13 F 0.7220(7) 0.9452(9) 0.4763(3) 0.090(4) Uani 0.411(2) 1 d D U P B 2
F8_13 F 0.6047(9) 0.9560(8) 0.4681(5) 0.102(6) Uani 0.411(2) 1 d D U P B 2
F9_13 F 0.6473(11) 0.8639(8) 0.4837(3) 0.101(4) Uani 0.411(2) 1 d D U P B 2
F10_13 F 0.7303(14) 0.8148(9) 0.3932(5) 0.121(5) Uani 0.411(2) 1 d D U P B 2
F11_13 F 0.7539(6) 0.8048(7) 0.4422(5) 0.125(5) Uani 0.411(2) 1 d D U P B 2
F12_13 F 0.7941(4) 0.8993(5) 0.4237(3) 0.061(2) Uani 0.411(2) 1 d D U P B 2
F13_13 F 0.6995(4) 1.0076(4) 0.4162(2) 0.0604(19) Uani 0.411(2) 1 d D U P B 2
F14_13 F 0.6783(14) 0.9426(9) 0.3752(4) 0.158(6) Uani 0.411(2) 1 d D U P B 2
F15_13 F 0.5879(6) 0.9815(7) 0.4001(4) 0.123(6) Uani 0.411(2) 1 d D U P B 2
O1_13 O 0.6067(4) 0.8429(4) 0.4180(2) 0.0419(16) Uani 0.411(2) 1 d D U P B 2
C47_13 C 0.6618(6) 0.8898(6) 0.4266(3) 0.048(3) Uani 0.411(2) 1 d D U P B 2
C48_13 C 0.6632(8) 0.9137(8) 0.4636(3) 0.074(4) Uani 0.411(2) 1 d D U P B 2
C49_13 C 0.7367(6) 0.8550(6) 0.4198(4) 0.074(4) Uani 0.411(2) 1 d D U P B 2
C50_13 C 0.6541(7) 0.9580(6) 0.4055(4) 0.083(4) Uani 0.411(2) 1 d D U P B 2
F7_14 F 0.5168(7) 0.8172(6) 0.3004(2) 0.075(3) Uani 0.411(2) 1 d D U P B 2
F8_14 F 0.4913(9) 0.8582(7) 0.3488(3) 0.089(4) Uani 0.411(2) 1 d D U P B 2
F9_14 F 0.6037(6) 0.8368(5) 0.3385(2) 0.071(2) Uani 0.411(2) 1 d D U P B 2
F10_14 F 0.5974(18) 0.6861(16) 0.3078(5) 0.110(8) Uani 0.411(2) 1 d D U P B 2
F11_14 F 0.6533(7) 0.7356(8) 0.3501(4) 0.071(3) Uani 0.411(2) 1 d D U P B 2
F12_14 F 0.6008(7) 0.6322(7) 0.3561(3) 0.072(3) Uani 0.411(2) 1 d D U P B 2
F13_14 F 0.4603(5) 0.6919(7) 0.29870(19) 0.074(3) Uani 0.411(2) 1 d D U P B 2
F14_14 F 0.4300(9) 0.6537(8) 0.3469(3) 0.113(5) Uani 0.411(2) 1 d D U P B 2
F15_14 F 0.4002(7) 0.7579(10) 0.3296(3) 0.112(5) Uani 0.411(2) 1 d D U P B 2
O1_14 O 0.5178(9) 0.7392(10) 0.3823(2) 0.042(3) Uani 0.411(2) 1 d D U P B 2
C47_14 C 0.5261(6) 0.7396(6) 0.3486(3) 0.050(3) Uani 0.411(2) 1 d D U P B 2
C48_14 C 0.5348(7) 0.8149(6) 0.3335(3) 0.056(2) Uani 0.411(2) 1 d D U P B 2
C49_14 C 0.5939(8) 0.6966(9) 0.3407(5) 0.078(4) Uani 0.411(2) 1 d D U P B 2
C50_14 C 0.4534(6) 0.7103(7) 0.3305(2) 0.065(3) Uani 0.411(2) 1 d D U P B 2
F7_15 F 0.2279(5) 0.9720(5) 0.4158(2) 0.062(2) Uani 0.411(2) 1 d D U P B 2
F8_15 F 0.2161(5) 0.8897(5) 0.4518(3) 0.067(2) Uani 0.411(2) 1 d D U P B 2
F9_15 F 0.2834(9) 0.9787(9) 0.4657(3) 0.068(3) Uani 0.411(2) 1 d D U P B 2
F10_15 F 0.3724(6) 1.0108(5) 0.4114(3) 0.069(3) Uani 0.411(2) 1 d D U P B 2
F11_15 F 0.4497(4) 0.9235(6) 0.4095(3) 0.076(3) Uani 0.411(2) 1 d D U P B 2
F12_15 F 0.4256(5) 0.9648(5) 0.4580(2) 0.070(2) Uani 0.411(2) 1 d D U P B 2
F13_15 F 0.2473(6) 0.8365(7) 0.3909(3) 0.084(3) Uani 0.411(2) 1 d D U P B 2
F14_15 F 0.3144(7) 0.9139(7) 0.3689(2) 0.073(3) Uani 0.411(2) 1 d D U P B 2
F15_15 F 0.3619(8) 0.8169(7) 0.3877(3) 0.085(4) Uani 0.411(2) 1 d D U P B 2
O1_15 O 0.3507(6) 0.8466(6) 0.4515(2) 0.038(2) Uani 0.411(2) 1 d D U P B 2
C47_15 C 0.3332(5) 0.8975(5) 0.4287(2) 0.036(2) Uani 0.411(2) 1 d D U P B 2
C48_15 C 0.2631(5) 0.9351(6) 0.4403(2) 0.049(2) Uani 0.411(2) 1 d D U P B 2
C49_15 C 0.3965(6) 0.9512(6) 0.4264(3) 0.050(2) Uani 0.411(2) 1 d D U P B 2
C50_15 C 0.3139(6) 0.8658(7) 0.3931(3) 0.058(3) Uani 0.411(2) 1 d D U P B 2
F7_16 F 0.3960(8) 0.5514(11) 0.4545(5) 0.144(7) Uani 0.411(2) 1 d D U P B 2
F8_16 F 0.2816(9) 0.5365(9) 0.4218(6) 0.139(8) Uani 0.411(2) 1 d D U P B 2
F9_16 F 0.3577(9) 0.5899(9) 0.4022(4) 0.111(4) Uani 0.411(2) 1 d D U P B 2
F10_16 F 0.2766(13) 0.5510(9) 0.4887(6) 0.210(10) Uani 0.411(2) 1 d D U P B 2
F11_16 F 0.2668(12) 0.6569(11) 0.5023(5) 0.154(6) Uani 0.411(2) 1 d D U P B 2
F12_16 F 0.3792(10) 0.6006(9) 0.5029(5) 0.136(6) Uani 0.411(2) 1 d D U P B 2
F13_16 F 0.2244(15) 0.6498(14) 0.4067(5) 0.168(10) Uani 0.411(2) 1 d D U P B 2
F14_16 F 0.1889(4) 0.6372(7) 0.4582(4) 0.105(4) Uani 0.411(2) 1 d D U P B 2
F15_16 F 0.2197(6) 0.7334(6) 0.4410(6) 0.137(6) Uani 0.411(2) 1 d D U P B 2
O1_16 O 0.3682(9) 0.6934(6) 0.4526(5) 0.073(4) Uani 0.411(2) 1 d D U P B 2
C47_16 C 0.3159(7) 0.6433(7) 0.4522(4) 0.075(3) Uani 0.411(2) 1 d D U P B 2
C48_16 C 0.3402(9) 0.5756(8) 0.4333(4) 0.107(4) Uani 0.411(2) 1 d D U P B 2
C49_16 C 0.3109(10) 0.6134(9) 0.4887(4) 0.123(5) Uani 0.411(2) 1 d D U P B 2
C50_16 C 0.2383(7) 0.6672(8) 0.4390(4) 0.102(4) Uani 0.411(2) 1 d D U P B 2
F7_17 F 0.6437(8) 0.6033(6) 0.5123(3) 0.086(3) Uani 0.411(2) 1 d D U P B 2
F8_17 F 0.6283(13) 0.7125(8) 0.5051(6) 0.080(5) Uani 0.411(2) 1 d D U P B 2
F9_17 F 0.5351(5) 0.6454(6) 0.4902(3) 0.075(3) Uani 0.411(2) 1 d D U P B 2
F10_17 F 0.5964(9) 0.5253(7) 0.4539(4) 0.076(3) Uani 0.411(2) 1 d D U P B 2
F11_17 F 0.6323(7) 0.5627(6) 0.4097(3) 0.081(3) Uani 0.411(2) 1 d D U P B 2
F12_17 F 0.5273(5) 0.6033(6) 0.4258(3) 0.082(3) Uani 0.411(2) 1 d D U P B 2
F13_17 F 0.7366(6) 0.5631(5) 0.4650(3) 0.076(3) Uani 0.411(2) 1 d D U P B 2
F14_17 F 0.7477(4) 0.6421(5) 0.4285(2) 0.061(2) Uani 0.411(2) 1 d D U P B 2
F15_17 F 0.7551(5) 0.6730(5) 0.4807(3) 0.075(2) Uani 0.411(2) 1 d D U P B 2
O1_17 O 0.6267(5) 0.7063(6) 0.4402(3) 0.051(2) Uani 0.411(2) 1 d D U P B 2
C47_17 C 0.6368(6) 0.6438(6) 0.4555(3) 0.053(3) Uani 0.411(2) 1 d D U P B 2
C48_17 C 0.6091(7) 0.6501(8) 0.4914(3) 0.068(3) Uani 0.411(2) 1 d D U P B 2
C49_17 C 0.5968(6) 0.5826(7) 0.4359(3) 0.070(3) Uani 0.411(2) 1 d D U P B 2
C50_17 C 0.7218(6) 0.6297(6) 0.4578(3) 0.060(3) Uani 0.411(2) 1 d D U P B 2
F7_18 F -0.1705(9) 0.5034(9) 0.3712(3) 0.110(4) Uani 0.411(2) 1 d D U P B 2
F8_18 F -0.1824(9) 0.4275(5) 0.3297(3) 0.101(4) Uani 0.411(2) 1 d D U P B 2
F9_18 F -0.0715(7) 0.4756(9) 0.3456(4) 0.121(5) Uani 0.411(2) 1 d D U P B 2
F10_18 F -0.2473(5) 0.6264(7) 0.3321(5) 0.110(4) Uani 0.411(2) 1 d D U P B 2
F11_18 F -0.2806(8) 0.5228(10) 0.3360(5) 0.145(5) Uani 0.411(2) 1 d D U P B 2
F12_18 F -0.2680(11) 0.5861(12) 0.2860(4) 0.140(5) Uani 0.411(2) 1 d D U P B 2
F13_18 F -0.1881(7) 0.4726(7) 0.2659(3) 0.087(3) Uani 0.411(2) 1 d D U P B 2
F14_18 F -0.1810(10) 0.5768(8) 0.2685(4) 0.149(5) Uani 0.411(2) 1 d D U P B 2
F15_18 F -0.0850(9) 0.4773(8) 0.2873(4) 0.109(5) Uani 0.411(2) 1 d D U P B 2
O1_18 O -0.1130(6) 0.5993(6) 0.3195(3) 0.055(2) Uani 0.411(2) 1 d D U P B 2
C47_18 C -0.1607(6) 0.5445(6) 0.3170(3) 0.064(2) Uani 0.411(2) 1 d D U P B 2
C48_18 C -0.1445(8) 0.4855(7) 0.3425(4) 0.086(3) Uani 0.411(2) 1 d D U P B 2
C49_18 C -0.2428(6) 0.5651(7) 0.3172(4) 0.081(3) Uani 0.411(2) 1 d D U P B 2
C50_18 C -0.1434(8) 0.5187(7) 0.2805(3) 0.080(3) Uani 0.411(2) 1 d D U P B 2
F7_19 F 0.1819(11) 0.8312(9) 0.2148(5) 0.134(5) Uani 0.411(2) 1 d D U P B 2
F8_19 F 0.1356(11) 0.7372(10) 0.1964(4) 0.128(5) Uani 0.411(2) 1 d D U P B 2
F9_19 F 0.0733(8) 0.7908(12) 0.2313(6) 0.140(5) Uani 0.411(2) 1 d D U P B 2
F10_19 F 0.1859(12) 0.8042(11) 0.3059(4) 0.119(5) Uani 0.411(2) 1 d D U P B 2
F11_19 F 0.2780(11) 0.8104(14) 0.2716(7) 0.136(7) Uani 0.411(2) 1 d D U P B 2
F12_19 F 0.2553(8) 0.7248(10) 0.3082(5) 0.098(5) Uani 0.411(2) 1 d D U P B 2
F13_19 F 0.2749(9) 0.7119(9) 0.2189(5) 0.125(4) Uani 0.411(2) 1 d D U P B 2
F14_19 F 0.2921(7) 0.6850(12) 0.2708(5) 0.133(5) Uani 0.411(2) 1 d D U P B 2
F15_19 F 0.2174(10) 0.6252(8) 0.2314(5) 0.126(4) Uani 0.411(2) 1 d D U P B 2
O1_19 O 0.1269(8) 0.6931(9) 0.2657(6) 0.067(4) Uani 0.411(2) 1 d D U P B 2
C47_19 C 0.1791(7) 0.7352(8) 0.2555(4) 0.077(3) Uani 0.411(2) 1 d D U P B 2
C48_19 C 0.1448(9) 0.7776(9) 0.2246(4) 0.103(4) Uani 0.411(2) 1 d D U P B 2
C49_19 C 0.2251(9) 0.7731(9) 0.2844(4) 0.096(4) Uani 0.411(2) 1 d D U P B 2
C50_19 C 0.2422(9) 0.6860(9) 0.2435(5) 0.112(4) Uani 0.411(2) 1 d D U P B 2
F7_20 F -0.1377(9) 0.9115(6) 0.2634(4) 0.117(5) Uani 0.411(2) 1 d D U P B 2
F8_20 F -0.1098(8) 0.8710(7) 0.3137(3) 0.102(3) Uani 0.411(2) 1 d D U P B 2
F9_20 F -0.0428(6) 0.8387(7) 0.2735(4) 0.099(4) Uani 0.411(2) 1 d D U P B 2
F10_20 F -0.1125(9) 0.8070(16) 0.2187(5) 0.164(9) Uani 0.411(2) 1 d D U P B 2
F11_20 F -0.2236(10) 0.8380(10) 0.2224(4) 0.146(6) Uani 0.411(2) 1 d D U P B 2
F12_20 F -0.1984(12) 0.7265(10) 0.2231(4) 0.127(5) Uani 0.411(2) 1 d D U P B 2
F13_20 F -0.2623(8) 0.8556(7) 0.2897(5) 0.109(5) Uani 0.411(2) 1 d D U P B 2
F14_20 F -0.2811(7) 0.7510(9) 0.2722(4) 0.110(4) Uani 0.411(2) 1 d D U P B 2
F15_20 F -0.2203(7) 0.7683(8) 0.3203(3) 0.079(4) Uani 0.411(2) 1 d D U P B 2
O1_20 O -0.1188(9) 0.7336(7) 0.2813(3) 0.058(3) Uani 0.411(2) 1 d D U P B 2
C47_20 C -0.1589(6) 0.7908(6) 0.2719(3) 0.051(3) Uani 0.411(2) 1 d D U P B 2
C48_20 C -0.1106(7) 0.8577(6) 0.2810(4) 0.086(3) Uani 0.411(2) 1 d D U P B 2
C49_20 C -0.1739(8) 0.7904(9) 0.2332(3) 0.097(4) Uani 0.411(2) 1 d D U P B 2
C50_20 C -0.2320(7) 0.7931(7) 0.2890(3) 0.075(3) Uani 0.411(2) 1 d D U P B 2
F7_21 F 0.0611(9) 0.6715(10) 0.4177(4) 0.128(5) Uani 0.411(2) 1 d D U P B 2
F8_21 F 0.0519(8) 0.6255(6) 0.3694(5) 0.114(4) Uani 0.411(2) 1 d D U P B 2
F9_21 F 0.1124(8) 0.7209(11) 0.3756(6) 0.130(8) Uani 0.411(2) 1 d D U P B 2
F10_21 F 0.0226(11) 0.8111(8) 0.4174(3) 0.119(5) Uani 0.411(2) 1 d D U P B 2
F11_21 F 0.0269(9) 0.8388(5) 0.3654(3) 0.088(3) Uani 0.411(2) 1 d D U P B 2
F12_21 F -0.0783(10) 0.8333(8) 0.3889(5) 0.121(5) Uani 0.411(2) 1 d D U P B 2
F13_21 F -0.0762(8) 0.6221(5) 0.3945(3) 0.090(3) Uani 0.411(2) 1 d D U P B 2
F14_21 F -0.0787(12) 0.7103(10) 0.4258(3) 0.123(6) Uani 0.411(2) 1 d D U P B 2
F15_21 F -0.1485(5) 0.7083(8) 0.3786(3) 0.093(3) Uani 0.411(2) 1 d D U P B 2
O1_21 O -0.0357(5) 0.7224(6) 0.3421(2) 0.0477(19) Uani 0.411(2) 1 d D U P B 2
C47_21 C -0.0195(6) 0.7266(6) 0.3756(3) 0.049(3) Uani 0.411(2) 1 d D U P B 2
C48_21 C 0.0542(7) 0.6867(7) 0.3860(4) 0.081(3) Uani 0.411(2) 1 d D U P B 2
C49_21 C -0.0114(8) 0.8035(6) 0.3869(3) 0.073(3) Uani 0.411(2) 1 d D U P B 2
C50_21 C -0.0831(7) 0.6911(7) 0.3939(3) 0.078(3) Uani 0.411(2) 1 d D U P B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Y1 F1 2.382(3) . ?
Y1 F2 2.383(3) . ?
Y1 F3 2.379(3) . ?
Y1 F4 2.357(3) . ?
Y1 F5 2.399(3) . ?
Y1 F6 2.389(2) . ?
Y1 C1 2.560(4) . ?
Y1 C2 2.577(4) . ?
Y1 C3 2.571(4) . ?
Y1 C4 2.582(4) . ?
Y1 C5 2.572(4) . ?
F1 C11 1.419(4) . ?
F2 C17 1.416(5) . ?
F3 C23 1.423(5) . ?
F4 C29 1.371(4) . ?
F5 C35 1.413(5) . ?
F6 C41 1.414(5) . ?
C1 C2 1.423(7) . ?
C1 C5 1.419(7) . ?
C1 C6 1.506(6) . ?
C2 C3 1.421(6) . ?
C2 C7 1.494(7) . ?
C3 C4 1.421(6) . ?
C3 C8 1.488(6) . ?
C4 C5 1.423(6) . ?
C4 C9 1.504(6) . ?
C5 C10 1.508(7) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.368(7) . ?
C11 C16 1.344(7) . ?
C12 H12 0.9500 . ?
C12 C13 1.386(7) . ?
C13 H13 0.9500 . ?
C13 C14 1.358(10) . ?
C14 H14 0.9500 . ?
C14 C15 1.381(11) . ?
C15 H15 0.9500 . ?
C15 C16 1.384(8) . ?
C16 H16 0.9500 . ?
C17 C18 1.375(6) . ?
C17 C22 1.376(7) . ?
C18 H18 0.9500 . ?
C18 C19 1.383(8) . ?
C19 H19 0.9500 . ?
C19 C20 1.384(10) . ?
C20 H20 0.9500 . ?
C20 C21 1.371(10) . ?
C21 H21 0.9500 . ?
C21 C22 1.385(8) . ?
C22 H22 0.9500 . ?
C23 C24 1.365(9) . ?
C23 C28 1.365(8) . ?
C24 H24 0.9500 . ?
C24 C25 1.381(8) . ?
C25 H25 0.9500 . ?
C25 C26 1.372(13) . ?
C26 H26 0.9500 . ?
C26 C27 1.406(14) . ?
C27 H27 0.9500 . ?
C27 C28 1.400(9) . ?
C28 H28 0.9500 . ?
C29 C30 1.3900 . ?
C29 C34 1.3900 . ?
C30 H30 0.9500 . ?
C30 C31 1.3900 . ?
C31 H31 0.9500 . ?
C31 C32 1.3900 . ?
C32 H32 0.9500 . ?
C32 C33 1.3900 . ?
C33 H33 0.9500 . ?
C33 C34 1.3900 . ?
C34 H34 0.9500 . ?
C35 C36 1.365(8) . ?
C35 C40 1.382(6) . ?
C36 H36 0.9500 . ?
C36 C37 1.404(8) . ?
C37 H37 0.9500 . ?
C37 C38 1.369(9) . ?
C38 H38 0.9500 . ?
C38 C39 1.421(10) . ?
C39 H39 0.9500 . ?
C39 C40 1.370(8) . ?
C40 H40 0.9500 . ?
C41 C42 1.365(7) . ?
C41 C46 1.371(7) . ?
C42 H42 0.9500 . ?
C42 C43 1.392(7) . ?
C43 H43 0.9500 . ?
C43 C44 1.365(10) . ?
C44 H44 0.9500 . ?
C44 C45 1.377(12) . ?
C45 H45 0.9500 . ?
C45 C46 1.410(9) . ?
C46 H46 0.9500 . ?
Al1 F7 1.763(3) . ?
Al1 O1_2 1.694(5) . ?
Al1 O1_4 1.657(8) . ?
Al1 O1_6 1.708(6) . ?
Al1 O1_18 1.656(9) . ?
Al1 O1_20 1.716(11) . ?
Al1 O1_21 1.722(8) . ?
Al2 F7 1.768(3) . ?
Al2 O1_1 1.702(4) . ?
Al2 O1_3 1.701(4) . ?
Al2 O1_5 1.735(11) . ?
Al2 O1_19 1.672(15) . ?
Al3 F8 1.760(3) . ?
Al3 O1_7 1.790(7) . ?
Al3 O1_9 1.658(8) . ?
Al3 O1_12 1.652(7) . ?
Al3 O1_13 1.800(7) . ?
Al3 O1_14 1.734(9) . ?
Al3 O1_17 1.607(8) . ?
Al4 F8 1.752(3) . ?
Al4 O1_8 1.677(4) . ?
Al4 O1_10 1.718(7) . ?
Al4 O1_11 1.721(7) . ?
Al4 O1_15 1.686(8) . ?
Al4 O1_16 1.694(10) . ?
F9 C50 1.331(14) . ?
C47 H47 0.9500 . ?
C47 C48 1.3900 . ?
C47 C52 1.3900 . ?
C48 H48 0.9500 . ?
C48 C49 1.3900 . ?
C49 H49 0.9500 . ?
C49 C50 1.3900 . ?
C50 C51 1.3900 . ?
C51 H51 0.9500 . ?
C51 C52 1.3900 . ?
C52 H52 0.9500 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C53 C54 1.484(18) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C54 C55 1.503(18) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C55 C56 1.485(18) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C56 C57 1.545(17) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C57 C58 1.527(18) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
F7_1 C48_1 1.301(7) . ?
F8_1 C48_1 1.350(8) . ?
F9_1 C48_1 1.303(7) . ?
F10_1 C49_1 1.303(8) . ?
F11_1 C49_1 1.335(9) . ?
F12_1 C49_1 1.349(9) . ?
F13_1 C50_1 1.317(9) . ?
F14_1 C50_1 1.307(9) . ?
F15_1 C50_1 1.322(9) . ?
O1_1 C47_1 1.315(6) . ?
C47_1 C48_1 1.582(8) . ?
C47_1 C49_1 1.554(8) . ?
C47_1 C50_1 1.537(8) . ?
F7_2 C48_2 1.341(8) . ?
F8_2 C48_2 1.331(10) . ?
F9_2 C48_2 1.323(10) . ?
F10_2 C49_2 1.320(9) . ?
F11_2 C49_2 1.320(11) . ?
F12_2 C49_2 1.359(9) . ?
F13_2 C50_2 1.328(10) . ?
F14_2 C50_2 1.333(10) . ?
F15_2 C50_2 1.328(11) . ?
O1_2 C47_2 1.347(8) . ?
C47_2 C48_2 1.555(9) . ?
C47_2 C49_2 1.543(9) . ?
C47_2 C50_2 1.542(10) . ?
F7_3 C48_3 1.290(10) . ?
F8_3 C48_3 1.347(11) . ?
F9_3 C48_3 1.321(10) . ?
F9_3 F15_19 1.78(2) . ?
F10_3 C49_3 1.302(9) . ?
F11_3 C49_3 1.313(10) . ?
F12_3 C49_3 1.355(10) . ?
F13_3 C50_3 1.356(8) . ?
F14_3 C50_3 1.286(9) . ?
F15_3 C50_3 1.323(9) . ?
O1_3 C47_3 1.351(7) . ?
C47_3 C48_3 1.578(9) . ?
C47_3 C49_3 1.535(9) . ?
C47_3 C50_3 1.540(9) . ?
F7_4 C48_4 1.330(12) . ?
F8_4 C48_4 1.370(12) . ?
F9_4 C48_4 1.353(13) . ?
F10_4 C49_4 1.298(10) . ?
F11_4 C49_4 1.304(9) . ?
F12_4 C49_4 1.351(10) . ?
F13_4 C50_4 1.330(11) . ?
F14_4 C50_4 1.319(13) . ?
F15_4 C50_4 1.347(11) . ?
O1_4 C47_4 1.350(9) . ?
C47_4 C48_4 1.563(11) . ?
C47_4 C49_4 1.567(10) . ?
C47_4 C50_4 1.541(11) . ?
F7_5 C48_5 1.306(9) . ?
F8_5 C48_5 1.339(10) . ?
F9_5 C48_5 1.318(10) . ?
F10_5 C49_5 1.308(12) . ?
F11_5 C49_5 1.336(13) . ?
F12_5 C49_5 1.341(13) . ?
F13_5 C50_5 1.315(11) . ?
F14_5 C50_5 1.312(12) . ?
F15_5 C50_5 1.340(12) . ?
O1_5 C47_5 1.333(10) . ?
C47_5 C48_5 1.549(10) . ?
C47_5 C49_5 1.558(11) . ?
C47_5 C50_5 1.577(11) . ?
F7_6 C48_6 1.319(11) . ?
F8_6 C48_6 1.334(11) . ?
F9_6 C48_6 1.318(11) . ?
F10_6 C49_6 1.326(12) . ?
F11_6 C49_6 1.292(12) . ?
F12_6 C49_6 1.341(12) . ?
F13_6 C50_6 1.328(12) . ?
F14_6 C50_6 1.365(12) . ?
F15_6 C50_6 1.342(12) . ?
O1_6 C47_6 1.348(9) . ?
C47_6 C48_6 1.544(11) . ?
C47_6 C49_6 1.527(11) . ?
C47_6 C50_6 1.535(11) . ?
F7_7 C48_7 1.314(10) . ?
F8_7 C48_7 1.323(12) . ?
F9_7 C48_7 1.355(12) . ?
F10_7 C49_7 1.333(11) . ?
F11_7 C49_7 1.316(11) . ?
F12_7 C49_7 1.348(12) . ?
F13_7 C50_7 1.317(10) . ?
F14_7 C50_7 1.318(12) . ?
F15_7 C50_7 1.334(11) . ?
O1_7 C47_7 1.369(9) . ?
C47_7 C48_7 1.556(11) . ?
C47_7 C49_7 1.550(11) . ?
C47_7 C50_7 1.559(11) . ?
F7_8 C48_8 1.279(9) . ?
F8_8 C48_8 1.314(8) . ?
F9_8 C48_8 1.332(9) . ?
F10_8 C49_8 1.314(7) . ?
F11_8 C49_8 1.293(6) . ?
F12_8 C49_8 1.320(7) . ?
F13_8 C50_8 1.294(7) . ?
F14_8 C50_8 1.288(7) . ?
F15_8 C50_8 1.265(7) . ?
O1_8 C47_8 1.347(6) . ?
C47_8 C48_8 1.560(8) . ?
C47_8 C49_8 1.558(6) . ?
C47_8 C50_8 1.563(7) . ?
F7_9 C48_9 1.327(11) . ?
F8_9 C48_9 1.309(12) . ?
F9_9 C48_9 1.345(12) . ?
F10_9 C49_9 1.345(12) . ?
F11_9 C49_9 1.315(11) . ?
F12_9 C49_9 1.374(12) . ?
F13_9 C50_9 1.319(13) . ?
F14_9 C50_9 1.340(13) . ?
F15_9 C50_9 1.303(12) . ?
O1_9 C47_9 1.334(10) . ?
C47_9 C48_9 1.550(11) . ?
C47_9 C49_9 1.523(11) . ?
C47_9 C50_9 1.550(12) . ?
F7_10 C48_10 1.301(10) . ?
F8_10 C48_10 1.349(11) . ?
F9_10 C48_10 1.343(11) . ?
F10_10 C49_10 1.329(10) . ?
F11_10 C49_10 1.277(10) . ?
F12_10 C49_10 1.350(12) . ?
F13_10 C50_10 1.319(12) . ?
F14_10 C50_10 1.304(12) . ?
F15_10 C50_10 1.304(12) . ?
O1_10 C47_10 1.340(9) . ?
C47_10 C48_10 1.581(10) . ?
C47_10 C49_10 1.540(10) . ?
C47_10 C50_10 1.546(11) . ?
F7_11 C48_11 1.265(11) . ?
F8_11 C48_11 1.343(11) . ?
F9_11 C48_11 1.303(10) . ?
F10_11 C49_11 1.341(9) . ?
F11_11 C49_11 1.272(10) . ?
F12_11 C49_11 1.356(10) . ?
F13_11 C50_11 1.317(13) . ?
F14_11 C50_11 1.334(11) . ?
F15_11 C50_11 1.279(11) . ?
O1_11 C47_11 1.343(9) . ?
C47_11 C48_11 1.604(11) . ?
C47_11 C49_11 1.533(10) . ?
C47_11 C50_11 1.526(10) . ?
F7_12 C48_12 1.294(11) . ?
F8_12 C48_12 1.340(12) . ?
F9_12 C48_12 1.295(11) . ?
F10_12 C49_12 1.365(12) . ?
F11_12 C49_12 1.257(11) . ?
F12_12 C49_12 1.333(12) . ?
F13_12 C50_12 1.336(11) . ?
F14_12 C50_12 1.344(12) . ?
F15_12 C50_12 1.303(11) . ?
O1_12 C47_12 1.343(10) . ?
C47_12 C48_12 1.566(11) . ?
C47_12 C49_12 1.530(11) . ?
C47_12 C50_12 1.532(11) . ?
F7_13 C48_13 1.285(13) . ?
F8_13 C48_13 1.352(13) . ?
F9_13 C48_13 1.289(13) . ?
F10_13 C49_13 1.305(13) . ?
F11_13 C49_13 1.326(13) . ?
F12_13 C49_13 1.335(11) . ?
F13_13 C50_13 1.298(11) . ?
F14_13 C50_13 1.351(13) . ?
F15_13 C50_13 1.279(12) . ?
O1_13 C47_13 1.358(11) . ?
C47_13 C48_13 1.541(12) . ?
C47_13 C49_13 1.550(11) . ?
C47_13 C50_13 1.547(12) . ?
F7_14 C48_14 1.330(11) . ?
F8_14 C48_14 1.323(11) . ?
F9_14 C48_14 1.312(12) . ?
F10_14 C49_14 1.332(13) . ?
F11_14 C49_14 1.331(13) . ?
F12_14 C49_14 1.372(13) . ?
F13_14 C50_14 1.331(10) . ?
F14_14 C50_14 1.346(13) . ?
F15_14 C50_14 1.319(12) . ?
O1_14 C47_14 1.362(11) . ?
C47_14 C48_14 1.568(12) . ?
C47_14 C49_14 1.528(12) . ?
C47_14 C50_14 1.545(11) . ?
F7_15 C48_15 1.319(10) . ?
F8_15 C48_15 1.323(11) . ?
F9_15 C48_15 1.336(12) . ?
F10_15 C49_15 1.336(11) . ?
F11_15 C49_15 1.329(12) . ?
F12_15 C49_15 1.348(11) . ?
F13_15 C50_15 1.323(12) . ?
F14_15 C50_15 1.331(12) . ?
F15_15 C50_15 1.301(12) . ?
O1_15 C47_15 1.349(10) . ?
C47_15 C48_15 1.558(11) . ?
C47_15 C49_15 1.542(11) . ?
C47_15 C50_15 1.552(11) . ?
F7_16 C48_16 1.339(13) . ?
F8_16 C48_16 1.343(13) . ?
F9_16 C48_16 1.336(14) . ?
F10_16 C49_16 1.338(14) . ?
F11_16 C49_16 1.299(14) . ?
F12_16 C49_16 1.333(14) . ?
F13_16 C50_16 1.330(14) . ?
F14_16 C50_16 1.351(13) . ?
F15_16 C50_16 1.308(13) . ?
O1_16 C47_16 1.341(12) . ?
C47_16 C48_16 1.572(13) . ?
C47_16 C49_16 1.571(13) . ?
C47_16 C50_16 1.523(12) . ?
F7_17 C48_17 1.335(12) . ?
F8_17 C48_17 1.338(13) . ?
F9_17 C48_17 1.338(12) . ?
F10_17 C49_17 1.304(13) . ?
F11_17 C49_17 1.326(12) . ?
F12_17 C49_17 1.344(12) . ?
F13_17 C50_17 1.321(11) . ?
F14_17 C50_17 1.313(12) . ?
F15_17 C50_17 1.335(12) . ?
O1_17 C47_17 1.344(11) . ?
C47_17 C48_17 1.562(12) . ?
C47_17 C49_17 1.546(12) . ?
C47_17 C50_17 1.553(11) . ?
F7_18 C48_18 1.319(13) . ?
F8_18 C48_18 1.374(13) . ?
F9_18 C48_18 1.328(13) . ?
F10_18 C49_18 1.313(13) . ?
F11_18 C49_18 1.326(13) . ?
F12_18 C49_18 1.346(13) . ?
F13_18 C50_18 1.295(12) . ?
F14_18 C50_18 1.362(13) . ?
F15_18 C50_18 1.326(13) . ?
O1_18 C47_18 1.351(12) . ?
C47_18 C48_18 1.525(12) . ?
C47_18 C49_18 1.534(12) . ?
C47_18 C50_18 1.594(13) . ?
F7_19 C48_19 1.299(13) . ?
F8_19 C48_19 1.360(14) . ?
F9_19 C48_19 1.363(14) . ?
F10_19 C49_19 1.299(13) . ?
F11_19 C49_19 1.327(12) . ?
F12_19 C49_19 1.397(13) . ?
F13_19 C50_19 1.284(14) . ?
F14_19 C50_19 1.350(14) . ?
F15_19 C50_19 1.316(13) . ?
O1_19 C47_19 1.327(12) . ?
C47_19 C48_19 1.555(12) . ?
C47_19 C49_19 1.542(12) . ?
C47_19 C50_19 1.580(13) . ?
F7_20 C48_20 1.311(13) . ?
F8_20 C48_20 1.328(13) . ?
F9_20 C48_20 1.336(13) . ?
F10_20 C49_20 1.330(13) . ?
F11_20 C49_20 1.320(13) . ?
F12_20 C49_20 1.344(13) . ?
F13_20 C50_20 1.312(12) . ?
F14_20 C50_20 1.331(13) . ?
F15_20 C50_20 1.332(12) . ?
O1_20 C47_20 1.344(11) . ?
C47_20 C48_20 1.567(12) . ?
C47_20 C49_20 1.545(12) . ?
C47_20 C50_20 1.535(12) . ?
F7_21 C48_21 1.294(13) . ?
F8_21 C48_21 1.337(13) . ?
F9_21 C48_21 1.332(13) . ?
F10_21 C49_21 1.322(12) . ?
F11_21 C49_21 1.330(12) . ?
F12_21 C49_21 1.344(13) . ?
F13_21 C50_21 1.319(12) . ?
F14_21 C50_21 1.318(12) . ?
F15_21 C50_21 1.324(12) . ?
O1_21 C47_21 1.347(11) . ?
C47_21 C48_21 1.557(12) . ?
C47_21 C49_21 1.533(12) . ?
C47_21 C50_21 1.566(12) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
F1 Y1 F2 74.73(10) . . ?
F1 Y1 F5 78.52(10) . . ?
F1 Y1 F6 73.20(9) . . ?
F1 Y1 C1 151.65(12) . . ?
F1 Y1 C2 147.76(13) . . ?
F1 Y1 C3 149.30(13) . . ?
F1 Y1 C4 154.42(12) . . ?
F1 Y1 C5 155.95(13) . . ?
F2 Y1 F5 135.25(9) . . ?
F2 Y1 F6 68.84(9) . . ?
F2 Y1 C1 110.49(13) . . ?
F2 Y1 C2 79.72(12) . . ?
F2 Y1 C3 77.29(12) . . ?
F2 Y1 C4 106.25(12) . . ?
F2 Y1 C5 129.30(12) . . ?
F3 Y1 F1 76.68(10) . . ?
F3 Y1 F2 71.40(10) . . ?
F3 Y1 F5 135.04(10) . . ?
F3 Y1 F6 134.93(10) . . ?
F3 Y1 C1 131.67(12) . . ?
F3 Y1 C2 113.34(13) . . ?
F3 Y1 C3 82.66(13) . . ?
F3 Y1 C4 79.49(12) . . ?
F3 Y1 C5 107.84(13) . . ?
F4 Y1 F1 77.02(11) . . ?
F4 Y1 F2 136.24(11) . . ?
F4 Y1 F3 70.03(11) . . ?
F4 Y1 F5 68.20(10) . . ?
F4 Y1 F6 131.89(10) . . ?
F4 Y1 C1 110.29(15) . . ?
F4 Y1 C2 135.06(14) . . ?
F4 Y1 C3 116.81(13) . . ?
F4 Y1 C4 86.24(13) . . ?
F4 Y1 C5 82.39(14) . . ?
F5 Y1 C1 79.20(12) . . ?
F5 Y1 C2 107.68(12) . . ?
F5 Y1 C3 131.45(12) . . ?
F5 Y1 C4 113.18(13) . . ?
F5 Y1 C5 82.41(12) . . ?
F6 Y1 F5 69.43(10) . . ?
F6 Y1 C1 82.69(12) . . ?
F6 Y1 C2 79.47(12) . . ?
F6 Y1 C3 107.96(12) . . ?
F6 Y1 C4 131.66(12) . . ?
F6 Y1 C5 113.38(13) . . ?
C1 Y1 C2 32.15(15) . . ?
C1 Y1 C3 53.06(14) . . ?
C1 Y1 C4 52.98(14) . . ?
C1 Y1 C5 32.09(16) . . ?
C2 Y1 C4 53.05(14) . . ?
C3 Y1 C2 32.05(14) . . ?
C3 Y1 C4 32.01(14) . . ?
C3 Y1 C5 53.15(14) . . ?
C5 Y1 C2 53.25(15) . . ?
C5 Y1 C4 32.06(14) . . ?
C11 F1 Y1 147.7(3) . . ?
C17 F2 Y1 138.9(2) . . ?
C23 F3 Y1 164.0(3) . . ?
C29 F4 Y1 158.5(3) . . ?
C35 F5 Y1 151.0(3) . . ?
C41 F6 Y1 144.7(2) . . ?
C2 C1 Y1 74.6(2) . . ?
C2 C1 C6 125.6(5) . . ?
C5 C1 Y1 74.4(2) . . ?
C5 C1 C2 108.6(4) . . ?
C5 C1 C6 125.5(5) . . ?
C6 C1 Y1 122.0(3) . . ?
C1 C2 Y1 73.3(2) . . ?
C1 C2 C7 126.1(4) . . ?
C3 C2 Y1 73.8(2) . . ?
C3 C2 C1 107.4(4) . . ?
C3 C2 C7 126.3(5) . . ?
C7 C2 Y1 121.9(3) . . ?
C2 C3 Y1 74.2(2) . . ?
C2 C3 C8 126.2(5) . . ?
C4 C3 Y1 74.4(2) . . ?
C4 C3 C2 108.3(4) . . ?
C4 C3 C8 125.1(4) . . ?
C8 C3 Y1 122.9(3) . . ?
C3 C4 Y1 73.6(2) . . ?
C3 C4 C5 108.0(4) . . ?
C3 C4 C9 125.1(4) . . ?
C5 C4 Y1 73.6(2) . . ?
C5 C4 C9 126.6(5) . . ?
C9 C4 Y1 123.4(3) . . ?
C1 C5 Y1 73.5(2) . . ?
C1 C5 C4 107.6(4) . . ?
C1 C5 C10 124.5(5) . . ?
C4 C5 Y1 74.4(2) . . ?
C4 C5 C10 127.5(5) . . ?
C10 C5 Y1 122.9(3) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 F1 116.4(4) . . ?
C16 C11 F1 117.6(4) . . ?
C16 C11 C12 126.0(4) . . ?
C11 C12 H12 121.8 . . ?
C11 C12 C13 116.4(5) . . ?
C13 C12 H12 121.8 . . ?
C12 C13 H13 120.2 . . ?
C14 C13 C12 119.6(5) . . ?
C14 C13 H13 120.2 . . ?
C13 C14 H14 119.1 . . ?
C13 C14 C15 121.8(5) . . ?
C15 C14 H14 119.1 . . ?
C14 C15 H15 120.3 . . ?
C14 C15 C16 119.5(6) . . ?
C16 C15 H15 120.3 . . ?
C11 C16 C15 116.6(5) . . ?
C11 C16 H16 121.7 . . ?
C15 C16 H16 121.7 . . ?
C18 C17 F2 117.3(4) . . ?
C18 C17 C22 125.8(5) . . ?
C22 C17 F2 116.9(4) . . ?
C17 C18 H18 121.9 . . ?
C17 C18 C19 116.2(5) . . ?
C19 C18 H18 121.9 . . ?
C18 C19 H19 119.7 . . ?
C18 C19 C20 120.6(6) . . ?
C20 C19 H19 119.7 . . ?
C19 C20 H20 119.8 . . ?
C21 C20 C19 120.4(6) . . ?
C21 C20 H20 119.8 . . ?
C20 C21 H21 119.3 . . ?
C20 C21 C22 121.5(6) . . ?
C22 C21 H21 119.3 . . ?
C17 C22 C21 115.5(5) . . ?
C17 C22 H22 122.2 . . ?
C21 C22 H22 122.2 . . ?
C24 C23 F3 117.8(4) . . ?
C24 C23 C28 126.3(5) . . ?
C28 C23 F3 116.0(5) . . ?
C23 C24 H24 121.8 . . ?
C23 C24 C25 116.4(6) . . ?
C25 C24 H24 121.8 . . ?
C24 C25 H25 119.3 . . ?
C26 C25 C24 121.4(8) . . ?
C26 C25 H25 119.3 . . ?
C25 C26 H26 120.1 . . ?
C25 C26 C27 119.8(6) . . ?
C27 C26 H26 120.1 . . ?
C26 C27 H27 119.9 . . ?
C28 C27 C26 120.1(7) . . ?
C28 C27 H27 119.9 . . ?
C23 C28 C27 116.0(7) . . ?
C23 C28 H28 122.0 . . ?
C27 C28 H28 122.0 . . ?
F4 C29 C30 119.5(3) . . ?
F4 C29 C34 120.5(3) . . ?
C30 C29 C34 120.0 . . ?
C29 C30 H30 120.0 . . ?
C31 C30 C29 120.0 . . ?
C31 C30 H30 120.0 . . ?
C30 C31 H31 120.0 . . ?
C32 C31 C30 120.0 . . ?
C32 C31 H31 120.0 . . ?
C31 C32 H32 120.0 . . ?
C31 C32 C33 120.0 . . ?
C33 C32 H32 120.0 . . ?
C32 C33 H33 120.0 . . ?
C34 C33 C32 120.0 . . ?
C34 C33 H33 120.0 . . ?
C29 C34 H34 120.0 . . ?
C33 C34 C29 120.0 . . ?
C33 C34 H34 120.0 . . ?
C36 C35 F5 118.0(4) . . ?
C36 C35 C40 124.8(5) . . ?
C40 C35 F5 117.2(4) . . ?
C35 C36 H36 121.3 . . ?
C35 C36 C37 117.5(5) . . ?
C37 C36 H36 121.3 . . ?
C36 C37 H37 120.1 . . ?
C38 C37 C36 119.9(6) . . ?
C38 C37 H37 120.1 . . ?
C37 C38 H38 119.8 . . ?
C37 C38 C39 120.4(5) . . ?
C39 C38 H38 119.8 . . ?
C38 C39 H39 119.9 . . ?
C40 C39 C38 120.2(5) . . ?
C40 C39 H39 119.9 . . ?
C35 C40 H40 121.4 . . ?
C39 C40 C35 117.2(5) . . ?
C39 C40 H40 121.4 . . ?
C42 C41 F6 117.9(4) . . ?
C42 C41 C46 126.0(5) . . ?
C46 C41 F6 116.1(5) . . ?
C41 C42 H42 121.7 . . ?
C41 C42 C43 116.6(5) . . ?
C43 C42 H42 121.7 . . ?
C42 C43 H43 119.7 . . ?
C44 C43 C42 120.6(6) . . ?
C44 C43 H43 119.7 . . ?
C43 C44 H44 119.6 . . ?
C43 C44 C45 120.8(6) . . ?
C45 C44 H44 119.6 . . ?
C44 C45 H45 119.6 . . ?
C44 C45 C46 120.8(6) . . ?
C46 C45 H45 119.6 . . ?
C41 C46 C45 115.1(6) . . ?
C41 C46 H46 122.4 . . ?
C45 C46 H46 122.4 . . ?
O1_2 Al1 F7 106.2(2) . . ?
O1_2 Al1 O1_6 111.3(3) . . ?
O1_4 Al1 F7 110.4(4) . . ?
O1_4 Al1 O1_2 112.3(4) . . ?
O1_4 Al1 O1_6 112.0(5) . . ?
O1_6 Al1 F7 104.1(3) . . ?
O1_18 Al1 F7 106.0(4) . . ?
O1_18 Al1 O1_20 123.5(7) . . ?
O1_18 Al1 O1_21 114.0(6) . . ?
O1_20 Al1 F7 99.6(5) . . ?
O1_20 Al1 O1_21 105.8(6) . . ?
O1_21 Al1 F7 105.6(3) . . ?
O1_1 Al2 F7 105.09(19) . . ?
O1_1 Al2 O1_5 115.8(5) . . ?
O1_3 Al2 F7 103.22(19) . . ?
O1_3 Al2 O1_1 115.0(2) . . ?
O1_3 Al2 O1_5 109.8(4) . . ?
O1_5 Al2 F7 106.7(5) . . ?
O1_19 Al2 F7 98.9(7) . . ?
O1_19 Al2 O1_1 108.5(8) . . ?
O1_19 Al2 O1_3 123.1(7) . . ?
Al1 F7 Al2 177.03(18) . . ?
F8 Al3 O1_7 104.5(3) . . ?
F8 Al3 O1_13 105.8(3) . . ?
O1_9 Al3 F8 104.2(5) . . ?
O1_9 Al3 O1_7 114.2(6) . . ?
O1_12 Al3 F8 106.2(3) . . ?
O1_12 Al3 O1_7 106.2(4) . . ?
O1_12 Al3 O1_9 120.2(6) . . ?
O1_14 Al3 F8 97.1(6) . . ?
O1_14 Al3 O1_13 107.3(6) . . ?
O1_17 Al3 F8 111.9(4) . . ?
O1_17 Al3 O1_13 108.0(5) . . ?
O1_17 Al3 O1_14 125.0(9) . . ?
O1_8 Al4 F8 106.0(2) . . ?
O1_8 Al4 O1_10 120.7(4) . . ?
O1_8 Al4 O1_11 116.5(4) . . ?
O1_8 Al4 O1_15 108.1(4) . . ?
O1_8 Al4 O1_16 104.5(7) . . ?
O1_10 Al4 F8 100.2(3) . . ?
O1_10 Al4 O1_11 106.4(5) . . ?
O1_11 Al4 F8 104.6(4) . . ?
O1_15 Al4 F8 116.5(3) . . ?
O1_15 Al4 O1_16 120.4(7) . . ?
O1_16 Al4 F8 99.9(7) . . ?
Al4 F8 Al3 171.6(2) . . ?
C48 C47 H47 120.0 . . ?
C48 C47 C52 120.0 . . ?
C52 C47 H47 120.0 . . ?
C47 C48 H48 120.0 . . ?
C47 C48 C49 120.0 . . ?
C49 C48 H48 120.0 . . ?
C48 C49 H49 120.0 . . ?
C50 C49 C48 120.0 . . ?
C50 C49 H49 120.0 . . ?
F9 C50 C49 120.0(8) . . ?
F9 C50 C51 120.0(8) . . ?
C49 C50 C51 120.0 . . ?
C50 C51 H51 120.0 . . ?
C52 C51 C50 120.0 . . ?
C52 C51 H51 120.0 . . ?
C47 C52 H52 120.0 . . ?
C51 C52 C47 120.0 . . ?
C51 C52 H52 120.0 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C54 C53 H53A 109.5 . . ?
C54 C53 H53B 109.5 . . ?
C54 C53 H53C 109.5 . . ?
C53 C54 H54A 109.4 . . ?
C53 C54 H54B 109.4 . . ?
C53 C54 C55 111(2) . . ?
H54A C54 H54B 108.0 . . ?
C55 C54 H54A 109.4 . . ?
C55 C54 H54B 109.4 . . ?
C54 C55 H55A 107.8 . . ?
C54 C55 H55B 107.8 . . ?
H55A C55 H55B 107.1 . . ?
C56 C55 C54 118(2) . . ?
C56 C55 H55A 107.8 . . ?
C56 C55 H55B 107.8 . . ?
C55 C56 H56A 107.4 . . ?
C55 C56 H56B 107.4 . . ?
C55 C56 C57 120(2) . . ?
H56A C56 H56B 106.9 . . ?
C57 C56 H56A 107.4 . . ?
C57 C56 H56B 107.4 . . ?
C56 C57 H57A 112.6 . . ?
C56 C57 H57B 112.6 . . ?
H57A C57 H57B 110.1 . . ?
C58 C57 C56 95.7(14) . . ?
C58 C57 H57A 112.6 . . ?
C58 C57 H57B 112.6 . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C47_1 O1_1 Al2 151.1(4) . . ?
O1_1 C47_1 C48_1 107.2(5) . . ?
O1_1 C47_1 C49_1 111.3(5) . . ?
O1_1 C47_1 C50_1 113.2(5) . . ?
C49_1 C47_1 C48_1 108.1(5) . . ?
C50_1 C47_1 C48_1 107.7(5) . . ?
C50_1 C47_1 C49_1 109.2(5) . . ?
F7_1 C48_1 F8_1 108.4(6) . . ?
F7_1 C48_1 F9_1 105.9(5) . . ?
F7_1 C48_1 C47_1 112.6(5) . . ?
F8_1 C48_1 C47_1 109.7(5) . . ?
F9_1 C48_1 F8_1 111.0(6) . . ?
F9_1 C48_1 C47_1 109.1(5) . . ?
F10_1 C49_1 F11_1 107.5(7) . . ?
F10_1 C49_1 F12_1 109.0(6) . . ?
F10_1 C49_1 C47_1 113.6(6) . . ?
F11_1 C49_1 F12_1 109.4(7) . . ?
F11_1 C49_1 C47_1 109.6(5) . . ?
F12_1 C49_1 C47_1 107.8(6) . . ?
F13_1 C50_1 F15_1 109.4(8) . . ?
F13_1 C50_1 C47_1 111.7(6) . . ?
F14_1 C50_1 F13_1 106.6(7) . . ?
F14_1 C50_1 F15_1 104.7(8) . . ?
F14_1 C50_1 C47_1 111.7(7) . . ?
F15_1 C50_1 C47_1 112.4(6) . . ?
C47_2 O1_2 Al1 145.5(6) . . ?
O1_2 C47_2 C48_2 107.5(6) . . ?
O1_2 C47_2 C49_2 110.2(6) . . ?
O1_2 C47_2 C50_2 110.8(7) . . ?
C49_2 C47_2 C48_2 109.9(6) . . ?
C49_2 C47_2 C50_2 108.9(7) . . ?
C50_2 C47_2 C48_2 109.5(7) . . ?
F7_2 C48_2 C47_2 110.6(7) . . ?
F8_2 C48_2 F7_2 108.9(8) . . ?
F8_2 C48_2 C47_2 110.9(7) . . ?
F9_2 C48_2 F7_2 107.5(8) . . ?
F9_2 C48_2 F8_2 108.5(7) . . ?
F9_2 C48_2 C47_2 110.4(6) . . ?
F10_2 C49_2 F11_2 111.3(9) . . ?
F10_2 C49_2 F12_2 105.5(7) . . ?
F10_2 C49_2 C47_2 113.6(7) . . ?
F11_2 C49_2 F12_2 108.3(8) . . ?
F11_2 C49_2 C47_2 110.2(7) . . ?
F12_2 C49_2 C47_2 107.8(6) . . ?
F13_2 C50_2 F14_2 107.3(8) . . ?
F13_2 C50_2 C47_2 112.7(9) . . ?
F14_2 C50_2 C47_2 111.5(7) . . ?
F15_2 C50_2 F13_2 106.0(9) . . ?
F15_2 C50_2 F14_2 109.3(9) . . ?
F15_2 C50_2 C47_2 109.8(7) . . ?
C48_3 F9_3 F15_19 164.5(9) . . ?
C47_3 O1_3 Al2 150.9(4) . . ?
O1_3 C47_3 C48_3 109.8(5) . . ?
O1_3 C47_3 C49_3 111.0(5) . . ?
O1_3 C47_3 C50_3 110.3(6) . . ?
C49_3 C47_3 C48_3 109.0(7) . . ?
C49_3 C47_3 C50_3 109.1(6) . . ?
C50_3 C47_3 C48_3 107.6(6) . . ?
F7_3 C48_3 F8_3 106.3(8) . . ?
F7_3 C48_3 F9_3 116.2(10) . . ?
F7_3 C48_3 C47_3 113.0(8) . . ?
F8_3 C48_3 C47_3 108.5(8) . . ?
F9_3 C48_3 F8_3 102.3(9) . . ?
F9_3 C48_3 C47_3 109.7(6) . . ?
F10_3 C49_3 F11_3 106.8(8) . . ?
F10_3 C49_3 F12_3 103.9(8) . . ?
F10_3 C49_3 C47_3 115.6(7) . . ?
F11_3 C49_3 F12_3 114.3(8) . . ?
F11_3 C49_3 C47_3 110.8(7) . . ?
F12_3 C49_3 C47_3 105.5(7) . . ?
F13_3 C50_3 C47_3 112.9(7) . . ?
F14_3 C50_3 F13_3 105.2(7) . . ?
F14_3 C50_3 F15_3 108.0(8) . . ?
F14_3 C50_3 C47_3 112.6(6) . . ?
F15_3 C50_3 F13_3 105.7(7) . . ?
F15_3 C50_3 C47_3 112.0(6) . . ?
C47_4 O1_4 Al1 150.4(8) . . ?
O1_4 C47_4 C48_4 110.4(9) . . ?
O1_4 C47_4 C49_4 113.7(8) . . ?
O1_4 C47_4 C50_4 106.8(8) . . ?
C48_4 C47_4 C49_4 110.3(7) . . ?
C50_4 C47_4 C48_4 107.1(9) . . ?
C50_4 C47_4 C49_4 108.3(7) . . ?
F7_4 C48_4 F8_4 103.4(11) . . ?
F7_4 C48_4 F9_4 109.7(13) . . ?
F7_4 C48_4 C47_4 111.5(10) . . ?
F8_4 C48_4 C47_4 111.6(9) . . ?
F9_4 C48_4 F8_4 115.5(11) . . ?
F9_4 C48_4 C47_4 105.2(9) . . ?
F10_4 C49_4 F11_4 109.1(8) . . ?
F10_4 C49_4 F12_4 106.1(9) . . ?
F10_4 C49_4 C47_4 114.6(8) . . ?
F11_4 C49_4 F12_4 107.2(8) . . ?
F11_4 C49_4 C47_4 110.7(7) . . ?
F12_4 C49_4 C47_4 108.9(7) . . ?
F13_4 C50_4 F15_4 112.0(10) . . ?
F13_4 C50_4 C47_4 110.1(10) . . ?
F14_4 C50_4 F13_4 104.4(12) . . ?
F14_4 C50_4 F15_4 108.0(11) . . ?
F14_4 C50_4 C47_4 112.5(9) . . ?
F15_4 C50_4 C47_4 109.7(9) . . ?
C47_5 O1_5 Al2 149.6(9) . . ?
O1_5 C47_5 C48_5 113.7(8) . . ?
O1_5 C47_5 C49_5 111.8(10) . . ?
O1_5 C47_5 C50_5 106.2(9) . . ?
C48_5 C47_5 C49_5 109.2(8) . . ?
C48_5 C47_5 C50_5 106.5(8) . . ?
C49_5 C47_5 C50_5 109.2(9) . . ?
F7_5 C48_5 F8_5 110.5(9) . . ?
F7_5 C48_5 F9_5 103.2(9) . . ?
F7_5 C48_5 C47_5 115.3(8) . . ?
F8_5 C48_5 C47_5 112.4(8) . . ?
F9_5 C48_5 F8_5 105.5(9) . . ?
F9_5 C48_5 C47_5 109.1(7) . . ?
F10_5 C49_5 F11_5 102.1(13) . . ?
F10_5 C49_5 F12_5 107.8(14) . . ?
F10_5 C49_5 C47_5 107.8(11) . . ?
F11_5 C49_5 F12_5 116.0(14) . . ?
F11_5 C49_5 C47_5 109.7(12) . . ?
F12_5 C49_5 C47_5 112.6(11) . . ?
F13_5 C50_5 F15_5 107.8(12) . . ?
F13_5 C50_5 C47_5 114.2(10) . . ?
F14_5 C50_5 F13_5 110.0(11) . . ?
F14_5 C50_5 F15_5 101.4(11) . . ?
F14_5 C50_5 C47_5 113.7(10) . . ?
F15_5 C50_5 C47_5 108.8(8) . . ?
C47_6 O1_6 Al1 147.9(6) . . ?
O1_6 C47_6 C48_6 112.2(7) . . ?
O1_6 C47_6 C49_6 111.0(8) . . ?
O1_6 C47_6 C50_6 103.5(8) . . ?
C49_6 C47_6 C48_6 109.9(8) . . ?
C49_6 C47_6 C50_6 110.1(8) . . ?
C50_6 C47_6 C48_6 110.0(8) . . ?
F7_6 C48_6 F8_6 107.5(11) . . ?
F7_6 C48_6 C47_6 111.2(8) . . ?
F8_6 C48_6 C47_6 112.3(8) . . ?
F9_6 C48_6 F7_6 108.8(10) . . ?
F9_6 C48_6 F8_6 106.1(10) . . ?
F9_6 C48_6 C47_6 110.6(9) . . ?
F10_6 C49_6 F12_6 108.3(10) . . ?
F10_6 C49_6 C47_6 109.1(9) . . ?
F11_6 C49_6 F10_6 106.6(10) . . ?
F11_6 C49_6 F12_6 109.3(11) . . ?
F11_6 C49_6 C47_6 113.5(9) . . ?
F12_6 C49_6 C47_6 109.9(8) . . ?
F13_6 C50_6 F14_6 108.0(10) . . ?
F13_6 C50_6 F15_6 100.9(10) . . ?
F13_6 C50_6 C47_6 110.8(9) . . ?
F14_6 C50_6 C47_6 108.6(9) . . ?
F15_6 C50_6 F14_6 121.9(12) . . ?
F15_6 C50_6 C47_6 106.2(8) . . ?
C47_7 O1_7 Al3 148.4(8) . . ?
O1_7 C47_7 C48_7 110.9(7) . . ?
O1_7 C47_7 C49_7 109.4(8) . . ?
O1_7 C47_7 C50_7 110.0(7) . . ?
C48_7 C47_7 C50_7 106.5(8) . . ?
C49_7 C47_7 C48_7 111.5(8) . . ?
C49_7 C47_7 C50_7 108.5(8) . . ?
F7_7 C48_7 F8_7 107.0(12) . . ?
F7_7 C48_7 F9_7 106.1(9) . . ?
F7_7 C48_7 C47_7 114.1(9) . . ?
F8_7 C48_7 F9_7 107.4(11) . . ?
F8_7 C48_7 C47_7 112.6(10) . . ?
F9_7 C48_7 C47_7 109.2(9) . . ?
F10_7 C49_7 F12_7 105.5(11) . . ?
F10_7 C49_7 C47_7 111.4(9) . . ?
F11_7 C49_7 F10_7 106.9(9) . . ?
F11_7 C49_7 F12_7 113.8(13) . . ?
F11_7 C49_7 C47_7 110.5(8) . . ?
F12_7 C49_7 C47_7 108.7(9) . . ?
F13_7 C50_7 F15_7 107.7(9) . . ?
F13_7 C50_7 C47_7 114.8(8) . . ?
F14_7 C50_7 F13_7 106.1(10) . . ?
F14_7 C50_7 F15_7 107.7(10) . . ?
F14_7 C50_7 C47_7 109.6(8) . . ?
F15_7 C50_7 C47_7 110.6(9) . . ?
C47_8 O1_8 Al4 155.7(4) . . ?
O1_8 C47_8 C48_8 113.8(5) . . ?
O1_8 C47_8 C49_8 109.3(4) . . ?
O1_8 C47_8 C50_8 107.0(4) . . ?
C48_8 C47_8 C50_8 109.2(5) . . ?
C49_8 C47_8 C48_8 107.5(4) . . ?
C49_8 C47_8 C50_8 110.2(4) . . ?
F7_8 C48_8 F8_8 109.5(7) . . ?
F7_8 C48_8 F9_8 114.7(9) . . ?
F7_8 C48_8 C47_8 114.2(6) . . ?
F8_8 C48_8 F9_8 102.4(7) . . ?
F8_8 C48_8 C47_8 108.2(6) . . ?
F9_8 C48_8 C47_8 107.0(6) . . ?
F10_8 C49_8 F12_8 111.0(6) . . ?
F10_8 C49_8 C47_8 110.0(4) . . ?
F11_8 C49_8 F10_8 104.8(5) . . ?
F11_8 C49_8 F12_8 106.1(5) . . ?
F11_8 C49_8 C47_8 113.9(5) . . ?
F12_8 C49_8 C47_8 110.9(4) . . ?
F13_8 C50_8 C47_8 112.1(5) . . ?
F14_8 C50_8 F13_8 104.0(7) . . ?
F14_8 C50_8 C47_8 110.4(4) . . ?
F15_8 C50_8 F13_8 107.8(7) . . ?
F15_8 C50_8 F14_8 110.0(7) . . ?
F15_8 C50_8 C47_8 112.2(5) . . ?
C47_9 O1_9 Al3 155.4(12) . . ?
O1_9 C47_9 C48_9 109.1(9) . . ?
O1_9 C47_9 C49_9 111.8(10) . . ?
O1_9 C47_9 C50_9 105.1(10) . . ?
C49_9 C47_9 C48_9 111.3(8) . . ?
C49_9 C47_9 C50_9 109.5(9) . . ?
C50_9 C47_9 C48_9 109.8(9) . . ?
F7_9 C48_9 F9_9 110.9(10) . . ?
F7_9 C48_9 C47_9 110.8(10) . . ?
F8_9 C48_9 F7_9 105.0(11) . . ?
F8_9 C48_9 F9_9 114.9(13) . . ?
F8_9 C48_9 C47_9 111.4(9) . . ?
F9_9 C48_9 C47_9 104.0(9) . . ?
F10_9 C49_9 F12_9 106.0(11) . . ?
F10_9 C49_9 C47_9 106.6(11) . . ?
F11_9 C49_9 F10_9 110.2(12) . . ?
F11_9 C49_9 F12_9 109.8(11) . . ?
F11_9 C49_9 C47_9 116.4(10) . . ?
F12_9 C49_9 C47_9 107.2(9) . . ?
F13_9 C50_9 F14_9 106.0(13) . . ?
F13_9 C50_9 C47_9 109.3(11) . . ?
F14_9 C50_9 C47_9 112.1(10) . . ?
F15_9 C50_9 F13_9 101.2(13) . . ?
F15_9 C50_9 F14_9 117.0(13) . . ?
F15_9 C50_9 C47_9 110.4(10) . . ?
C47_10 O1_10 Al4 153.4(8) . . ?
O1_10 C47_10 C48_10 109.1(7) . . ?
O1_10 C47_10 C49_10 109.2(8) . . ?
O1_10 C47_10 C50_10 112.6(8) . . ?
C49_10 C47_10 C48_10 110.1(7) . . ?
C49_10 C47_10 C50_10 108.8(8) . . ?
C50_10 C47_10 C48_10 107.0(8) . . ?
F7_10 C48_10 F8_10 105.7(7) . . ?
F7_10 C48_10 F9_10 112.5(11) . . ?
F7_10 C48_10 C47_10 114.3(8) . . ?
F8_10 C48_10 C47_10 109.8(8) . . ?
F9_10 C48_10 F8_10 105.0(9) . . ?
F9_10 C48_10 C47_10 109.0(7) . . ?
F10_10 C49_10 F12_10 104.6(10) . . ?
F10_10 C49_10 C47_10 112.1(8) . . ?
F11_10 C49_10 F10_10 107.2(10) . . ?
F11_10 C49_10 F12_10 112.1(11) . . ?
F11_10 C49_10 C47_10 112.5(8) . . ?
F12_10 C49_10 C47_10 108.0(9) . . ?
F13_10 C50_10 C47_10 113.3(10) . . ?
F14_10 C50_10 F13_10 104.5(12) . . ?
F14_10 C50_10 F15_10 109.3(12) . . ?
F14_10 C50_10 C47_10 111.0(10) . . ?
F15_10 C50_10 F13_10 106.4(12) . . ?
F15_10 C50_10 C47_10 112.0(9) . . ?
C47_11 O1_11 Al4 145.8(7) . . ?
O1_11 C47_11 C48_11 108.5(8) . . ?
O1_11 C47_11 C49_11 115.7(8) . . ?
O1_11 C47_11 C50_11 106.1(8) . . ?
C49_11 C47_11 C48_11 107.3(7) . . ?
C50_11 C47_11 C48_11 107.8(7) . . ?
C50_11 C47_11 C49_11 111.1(7) . . ?
F7_11 C48_11 F8_11 107.9(9) . . ?
F7_11 C48_11 F9_11 112.7(10) . . ?
F7_11 C48_11 C47_11 113.5(8) . . ?
F8_11 C48_11 C47_11 107.3(8) . . ?
F9_11 C48_11 F8_11 104.9(9) . . ?
F9_11 C48_11 C47_11 110.0(8) . . ?
F10_11 C49_11 F12_11 101.3(8) . . ?
F10_11 C49_11 C47_11 117.3(8) . . ?
F11_11 C49_11 F10_11 108.2(8) . . ?
F11_11 C49_11 F12_11 113.1(9) . . ?
F11_11 C49_11 C47_11 110.0(8) . . ?
F12_11 C49_11 C47_11 106.9(7) . . ?
F13_11 C50_11 F14_11 92.8(12) . . ?
F13_11 C50_11 C47_11 115.2(10) . . ?
F14_11 C50_11 C47_11 111.6(9) . . ?
F15_11 C50_11 F13_11 110.3(12) . . ?
F15_11 C50_11 F14_11 108.5(11) . . ?
F15_11 C50_11 C47_11 115.9(9) . . ?
C47_12 O1_12 Al3 148.6(7) . . ?
O1_12 C47_12 C48_12 106.6(8) . . ?
O1_12 C47_12 C49_12 111.3(8) . . ?
O1_12 C47_12 C50_12 108.9(8) . . ?
C49_12 C47_12 C48_12 104.9(8) . . ?
C49_12 C47_12 C50_12 111.6(8) . . ?
C50_12 C47_12 C48_12 113.5(8) . . ?
F7_12 C48_12 F8_12 105.0(13) . . ?
F7_12 C48_12 F9_12 116.2(11) . . ?
F7_12 C48_12 C47_12 110.7(9) . . ?
F8_12 C48_12 C47_12 106.9(10) . . ?
F9_12 C48_12 F8_12 104.2(12) . . ?
F9_12 C48_12 C47_12 112.9(10) . . ?
F10_12 C49_12 C47_12 108.5(9) . . ?
F11_12 C49_12 F10_12 98.4(12) . . ?
F11_12 C49_12 F12_12 111.6(12) . . ?
F11_12 C49_12 C47_12 117.8(10) . . ?
F12_12 C49_12 F10_12 108.9(11) . . ?
F12_12 C49_12 C47_12 110.7(9) . . ?
F13_12 C50_12 F14_12 112.9(11) . . ?
F13_12 C50_12 C47_12 110.9(9) . . ?
F14_12 C50_12 C47_12 107.1(9) . . ?
F15_12 C50_12 F13_12 104.9(11) . . ?
F15_12 C50_12 F14_12 105.6(11) . . ?
F15_12 C50_12 C47_12 115.5(8) . . ?
C47_13 O1_13 Al3 151.1(8) . . ?
O1_13 C47_13 C48_13 112.6(10) . . ?
O1_13 C47_13 C49_13 108.0(9) . . ?
O1_13 C47_13 C50_13 112.7(9) . . ?
C48_13 C47_13 C49_13 110.5(10) . . ?
C48_13 C47_13 C50_13 105.4(10) . . ?
C50_13 C47_13 C49_13 107.6(10) . . ?
F7_13 C48_13 F8_13 107.4(14) . . ?
F7_13 C48_13 F9_13 108.6(14) . . ?
F7_13 C48_13 C47_13 117.3(12) . . ?
F8_13 C48_13 C47_13 110.7(12) . . ?
F9_13 C48_13 F8_13 97.9(13) . . ?
F9_13 C48_13 C47_13 113.1(11) . . ?
F10_13 C49_13 F11_13 97.1(14) . . ?
F10_13 C49_13 F12_13 118.6(14) . . ?
F10_13 C49_13 C47_13 112.0(13) . . ?
F11_13 C49_13 F12_13 104.0(11) . . ?
F11_13 C49_13 C47_13 110.3(11) . . ?
F12_13 C49_13 C47_13 113.0(10) . . ?
F13_13 C50_13 F14_13 102.1(12) . . ?
F13_13 C50_13 C47_13 114.0(9) . . ?
F14_13 C50_13 C47_13 106.4(11) . . ?
F15_13 C50_13 F13_13 110.9(11) . . ?
F15_13 C50_13 F14_13 107.2(14) . . ?
F15_13 C50_13 C47_13 115.1(10) . . ?
C47_14 O1_14 Al3 141.7(10) . . ?
O1_14 C47_14 C48_14 114.0(11) . . ?
O1_14 C47_14 C49_14 111.0(12) . . ?
O1_14 C47_14 C50_14 107.3(9) . . ?
C49_14 C47_14 C48_14 107.5(10) . . ?
C49_14 C47_14 C50_14 112.0(10) . . ?
C50_14 C47_14 C48_14 105.0(9) . . ?
F7_14 C48_14 C47_14 112.7(10) . . ?
F8_14 C48_14 F7_14 109.3(10) . . ?
F8_14 C48_14 C47_14 108.0(10) . . ?
F9_14 C48_14 F7_14 106.9(11) . . ?
F9_14 C48_14 F8_14 108.9(11) . . ?
F9_14 C48_14 C47_14 110.9(9) . . ?
F10_14 C49_14 F11_14 104.7(17) . . ?
F10_14 C49_14 F12_14 107.1(16) . . ?
F10_14 C49_14 C47_14 113.0(16) . . ?
F11_14 C49_14 F12_14 109.4(13) . . ?
F11_14 C49_14 C47_14 106.6(12) . . ?
F12_14 C49_14 C47_14 115.5(12) . . ?
F13_14 C50_14 F14_14 108.1(11) . . ?
F13_14 C50_14 C47_14 113.2(9) . . ?
F14_14 C50_14 C47_14 110.6(10) . . ?
F15_14 C50_14 F13_14 106.3(10) . . ?
F15_14 C50_14 F14_14 107.7(12) . . ?
F15_14 C50_14 C47_14 110.7(10) . . ?
C47_15 O1_15 Al4 146.8(7) . . ?
O1_15 C47_15 C48_15 106.2(8) . . ?
O1_15 C47_15 C49_15 112.6(9) . . ?
O1_15 C47_15 C50_15 110.9(9) . . ?
C49_15 C47_15 C48_15 109.8(8) . . ?
C49_15 C47_15 C50_15 108.2(8) . . ?
C50_15 C47_15 C48_15 109.0(8) . . ?
F7_15 C48_15 F8_15 108.7(9) . . ?
F7_15 C48_15 F9_15 108.3(11) . . ?
F7_15 C48_15 C47_15 112.2(8) . . ?
F8_15 C48_15 F9_15 106.5(11) . . ?
F8_15 C48_15 C47_15 111.5(8) . . ?
F9_15 C48_15 C47_15 109.4(9) . . ?
F10_15 C49_15 F12_15 109.8(10) . . ?
F10_15 C49_15 C47_15 112.0(9) . . ?
F11_15 C49_15 F10_15 109.6(9) . . ?
F11_15 C49_15 F12_15 107.8(10) . . ?
F11_15 C49_15 C47_15 109.9(9) . . ?
F12_15 C49_15 C47_15 107.7(8) . . ?
F13_15 C50_15 F14_15 107.8(11) . . ?
F13_15 C50_15 C47_15 110.8(9) . . ?
F14_15 C50_15 C47_15 112.2(10) . . ?
F15_15 C50_15 F13_15 107.7(12) . . ?
F15_15 C50_15 F14_15 109.1(11) . . ?
F15_15 C50_15 C47_15 109.2(10) . . ?
C47_16 O1_16 Al4 153.7(15) . . ?
O1_16 C47_16 C48_16 111.2(12) . . ?
O1_16 C47_16 C49_16 110.0(12) . . ?
O1_16 C47_16 C50_16 114.7(12) . . ?
C49_16 C47_16 C48_16 100.7(11) . . ?
C50_16 C47_16 C48_16 111.5(11) . . ?
C50_16 C47_16 C49_16 107.7(11) . . ?
F7_16 C48_16 F8_16 123.5(16) . . ?
F7_16 C48_16 C47_16 102.0(12) . . ?
F8_16 C48_16 C47_16 111.8(12) . . ?
F9_16 C48_16 F7_16 115.4(15) . . ?
F9_16 C48_16 F8_16 92.2(13) . . ?
F9_16 C48_16 C47_16 112.2(12) . . ?
F10_16 C49_16 C47_16 112.6(14) . . ?
F11_16 C49_16 F10_16 105.4(16) . . ?
F11_16 C49_16 F12_16 121.2(18) . . ?
F11_16 C49_16 C47_16 103.9(13) . . ?
F12_16 C49_16 F10_16 104.5(15) . . ?
F12_16 C49_16 C47_16 109.4(13) . . ?
F13_16 C50_16 F14_16 111.3(17) . . ?
F13_16 C50_16 C47_16 110.6(14) . . ?
F14_16 C50_16 C47_16 108.2(11) . . ?
F15_16 C50_16 F13_16 105.7(16) . . ?
F15_16 C50_16 F14_16 100.8(12) . . ?
F15_16 C50_16 C47_16 120.0(13) . . ?
C47_17 O1_17 Al3 144.1(9) . . ?
O1_17 C47_17 C48_17 107.8(10) . . ?
O1_17 C47_17 C49_17 113.4(10) . . ?
O1_17 C47_17 C50_17 105.9(8) . . ?
C49_17 C47_17 C48_17 110.4(9) . . ?
C49_17 C47_17 C50_17 108.4(9) . . ?
C50_17 C47_17 C48_17 110.7(9) . . ?
F7_17 C48_17 F8_17 104.4(13) . . ?
F7_17 C48_17 F9_17 113.0(12) . . ?
F7_17 C48_17 C47_17 110.4(10) . . ?
F8_17 C48_17 C47_17 110.4(13) . . ?
F9_17 C48_17 F8_17 107.3(14) . . ?
F9_17 C48_17 C47_17 111.1(10) . . ?
F10_17 C49_17 F11_17 102.7(11) . . ?
F10_17 C49_17 F12_17 111.0(12) . . ?
F10_17 C49_17 C47_17 112.1(11) . . ?
F11_17 C49_17 F12_17 110.6(12) . . ?
F11_17 C49_17 C47_17 112.1(10) . . ?
F12_17 C49_17 C47_17 108.3(9) . . ?
F13_17 C50_17 F15_17 111.8(10) . . ?
F13_17 C50_17 C47_17 111.0(10) . . ?
F14_17 C50_17 F13_17 106.5(10) . . ?
F14_17 C50_17 F15_17 108.9(11) . . ?
F14_17 C50_17 C47_17 110.1(9) . . ?
F15_17 C50_17 C47_17 108.5(9) . . ?
C47_18 O1_18 Al1 157.1(10) . . ?
O1_18 C47_18 C48_18 115.7(10) . . ?
O1_18 C47_18 C49_18 114.5(10) . . ?
O1_18 C47_18 C50_18 97.5(10) . . ?
C48_18 C47_18 C49_18 108.4(10) . . ?
C48_18 C47_18 C50_18 109.8(10) . . ?
C49_18 C47_18 C50_18 110.5(10) . . ?
F7_18 C48_18 F8_18 108.9(12) . . ?
F7_18 C48_18 F9_18 112.3(14) . . ?
F7_18 C48_18 C47_18 109.0(12) . . ?
F8_18 C48_18 C47_18 106.5(10) . . ?
F9_18 C48_18 F8_18 112.3(14) . . ?
F9_18 C48_18 C47_18 107.5(10) . . ?
F10_18 C49_18 F11_18 103.3(14) . . ?
F10_18 C49_18 F12_18 97.0(13) . . ?
F10_18 C49_18 C47_18 109.0(10) . . ?
F11_18 C49_18 F12_18 123.4(15) . . ?
F11_18 C49_18 C47_18 113.2(11) . . ?
F12_18 C49_18 C47_18 108.7(12) . . ?
F13_18 C50_18 F14_18 96.9(12) . . ?
F13_18 C50_18 F15_18 98.3(12) . . ?
F13_18 C50_18 C47_18 117.0(12) . . ?
F14_18 C50_18 C47_18 86.4(10) . . ?
F15_18 C50_18 F14_18 156.7(16) . . ?
F15_18 C50_18 C47_18 102.2(11) . . ?
C50_19 F15_19 F9_3 121.9(16) . . ?
C47_19 O1_19 Al2 151.6(17) . . ?
O1_19 C47_19 C48_19 108.1(12) . . ?
O1_19 C47_19 C49_19 113.8(13) . . ?
O1_19 C47_19 C50_19 106.6(12) . . ?
C48_19 C47_19 C50_19 108.6(11) . . ?
C49_19 C47_19 C48_19 120.0(12) . . ?
C49_19 C47_19 C50_19 98.4(10) . . ?
F7_19 C48_19 F8_19 102.9(15) . . ?
F7_19 C48_19 F9_19 115.9(16) . . ?
F7_19 C48_19 C47_19 117.7(13) . . ?
F8_19 C48_19 F9_19 102.3(15) . . ?
F8_19 C48_19 C47_19 111.8(13) . . ?
F9_19 C48_19 C47_19 105.2(13) . . ?
F10_19 C49_19 F11_19 117.4(18) . . ?
F10_19 C49_19 F12_19 93.2(13) . . ?
F10_19 C49_19 C47_19 114.6(14) . . ?
F11_19 C49_19 F12_19 111.2(15) . . ?
F11_19 C49_19 C47_19 108.8(13) . . ?
F12_19 C49_19 C47_19 110.7(12) . . ?
F13_19 C50_19 F14_19 107.5(15) . . ?
F13_19 C50_19 F15_19 102.9(14) . . ?
F13_19 C50_19 C47_19 113.2(13) . . ?
F14_19 C50_19 C47_19 102.3(11) . . ?
F15_19 C50_19 F14_19 117.7(17) . . ?
F15_19 C50_19 C47_19 113.4(13) . . ?
C47_20 O1_20 Al1 157.1(10) . . ?
O1_20 C47_20 C48_20 108.6(11) . . ?
O1_20 C47_20 C49_20 108.5(10) . . ?
O1_20 C47_20 C50_20 111.3(11) . . ?
C49_20 C47_20 C48_20 106.2(10) . . ?
C50_20 C47_20 C48_20 111.0(10) . . ?
C50_20 C47_20 C49_20 111.0(10) . . ?
F7_20 C48_20 F8_20 110.5(13) . . ?
F7_20 C48_20 F9_20 113.5(13) . . ?
F7_20 C48_20 C47_20 109.7(11) . . ?
F8_20 C48_20 F9_20 109.7(13) . . ?
F8_20 C48_20 C47_20 109.8(11) . . ?
F9_20 C48_20 C47_20 103.4(10) . . ?
F10_20 C49_20 F12_20 110.5(17) . . ?
F10_20 C49_20 C47_20 110.6(12) . . ?
F11_20 C49_20 F10_20 105.4(15) . . ?
F11_20 C49_20 F12_20 109.0(15) . . ?
F11_20 C49_20 C47_20 112.2(12) . . ?
F12_20 C49_20 C47_20 109.2(11) . . ?
F13_20 C50_20 F14_20 107.1(13) . . ?
F13_20 C50_20 F15_20 109.5(13) . . ?
F13_20 C50_20 C47_20 114.3(11) . . ?
F14_20 C50_20 F15_20 107.6(13) . . ?
F14_20 C50_20 C47_20 108.8(11) . . ?
F15_20 C50_20 C47_20 109.3(10) . . ?
C47_21 O1_21 Al1 147.3(10) . . ?
O1_21 C47_21 C48_21 110.0(10) . . ?
O1_21 C47_21 C49_21 110.8(9) . . ?
O1_21 C47_21 C50_21 109.3(9) . . ?
C48_21 C47_21 C50_21 108.1(9) . . ?
C49_21 C47_21 C48_21 109.3(10) . . ?
C49_21 C47_21 C50_21 109.3(9) . . ?
F7_21 C48_21 F8_21 106.5(14) . . ?
F7_21 C48_21 F9_21 113.6(14) . . ?
F7_21 C48_21 C47_21 112.1(11) . . ?
F8_21 C48_21 C47_21 107.8(10) . . ?
F9_21 C48_21 F8_21 105.4(15) . . ?
F9_21 C48_21 C47_21 111.1(11) . . ?
F10_21 C49_21 F11_21 108.1(12) . . ?
F10_21 C49_21 F12_21 104.5(14) . . ?
F10_21 C49_21 C47_21 113.6(11) . . ?
F11_21 C49_21 F12_21 110.1(13) . . ?
F11_21 C49_21 C47_21 109.5(10) . . ?
F12_21 C49_21 C47_21 110.9(12) . . ?
F13_21 C50_21 F15_21 109.5(12) . . ?
F13_21 C50_21 C47_21 111.5(10) . . ?
F14_21 C50_21 F13_21 105.2(13) . . ?
F14_21 C50_21 F15_21 110.6(14) . . ?
F14_21 C50_21 C47_21 110.1(11) . . ?
F15_21 C50_21 C47_21 109.9(10) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Y1 F1 C11 C12 -76.4(7) . . . . ?
Y1 F1 C11 C16 103.1(6) . . . . ?
Y1 F2 C17 C18 93.0(5) . . . . ?
Y1 F2 C17 C22 -86.9(5) . . . . ?
Y1 F3 C23 C24 31.8(12) . . . . ?
Y1 F3 C23 C28 -147.1(9) . . . . ?
Y1 F4 C29 C30 77.5(8) . . . . ?
Y1 F4 C29 C34 -102.0(7) . . . . ?
Y1 F5 C35 C36 68.2(7) . . . . ?
Y1 F5 C35 C40 -112.0(6) . . . . ?
Y1 F6 C41 C42 -72.1(6) . . . . ?
Y1 F6 C41 C46 107.1(5) . . . . ?
Y1 C1 C2 C3 -66.4(3) . . . . ?
Y1 C1 C2 C7 117.6(4) . . . . ?
Y1 C1 C5 C4 67.1(3) . . . . ?
Y1 C1 C5 C10 -118.9(4) . . . . ?
Y1 C2 C3 C4 -67.2(3) . . . . ?
Y1 C2 C3 C8 119.5(4) . . . . ?
Y1 C3 C4 C5 -66.1(3) . . . . ?
Y1 C3 C4 C9 119.6(4) . . . . ?
Y1 C4 C5 C1 -66.5(3) . . . . ?
Y1 C4 C5 C10 119.7(5) . . . . ?
F1 C11 C12 C13 176.9(4) . . . . ?
F1 C11 C16 C15 -176.0(6) . . . . ?
F2 C17 C18 C19 -179.9(5) . . . . ?
F2 C17 C22 C21 178.2(5) . . . . ?
F3 C23 C24 C25 -178.4(5) . . . . ?
F3 C23 C28 C27 178.4(5) . . . . ?
F4 C29 C30 C31 -179.4(5) . . . . ?
F4 C29 C34 C33 179.4(5) . . . . ?
F5 C35 C36 C37 179.7(5) . . . . ?
F5 C35 C40 C39 180.0(5) . . . . ?
F6 C41 C42 C43 176.3(5) . . . . ?
F6 C41 C46 C45 -178.2(5) . . . . ?
C1 C2 C3 Y1 66.1(3) . . . . ?
C1 C2 C3 C4 -1.1(5) . . . . ?
C1 C2 C3 C8 -174.5(4) . . . . ?
C2 C1 C5 Y1 -67.3(3) . . . . ?
C2 C1 C5 C4 -0.2(5) . . . . ?
C2 C1 C5 C10 173.8(4) . . . . ?
C2 C3 C4 Y1 67.0(3) . . . . ?
C2 C3 C4 C5 1.0(5) . . . . ?
C2 C3 C4 C9 -173.3(4) . . . . ?
C3 C4 C5 Y1 66.1(3) . . . . ?
C3 C4 C5 C1 -0.4(5) . . . . ?
C3 C4 C5 C10 -174.2(4) . . . . ?
C5 C1 C2 Y1 67.2(3) . . . . ?
C5 C1 C2 C3 0.8(5) . . . . ?
C5 C1 C2 C7 -175.1(4) . . . . ?
C6 C1 C2 Y1 -118.6(4) . . . . ?
C6 C1 C2 C3 175.0(4) . . . . ?
C6 C1 C2 C7 -0.9(7) . . . . ?
C6 C1 C5 Y1 118.4(4) . . . . ?
C6 C1 C5 C4 -174.5(4) . . . . ?
C6 C1 C5 C10 -0.4(7) . . . . ?
C7 C2 C3 Y1 -118.0(4) . . . . ?
C7 C2 C3 C4 174.8(4) . . . . ?
C7 C2 C3 C8 1.5(7) . . . . ?
C8 C3 C4 Y1 -119.5(4) . . . . ?
C8 C3 C4 C5 174.4(4) . . . . ?
C8 C3 C4 C9 0.1(7) . . . . ?
C9 C4 C5 Y1 -119.8(5) . . . . ?
C9 C4 C5 C1 173.7(4) . . . . ?
C9 C4 C5 C10 -0.1(7) . . . . ?
C11 C12 C13 C14 -0.7(9) . . . . ?
C12 C11 C16 C15 3.4(9) . . . . ?
C12 C13 C14 C15 2.9(11) . . . . ?
C13 C14 C15 C16 -2.0(12) . . . . ?
C14 C15 C16 C11 -1.0(11) . . . . ?
C16 C11 C12 C13 -2.5(8) . . . . ?
C17 C18 C19 C20 1.8(10) . . . . ?
C18 C17 C22 C21 -1.8(9) . . . . ?
C18 C19 C20 C21 -1.7(12) . . . . ?
C19 C20 C21 C22 -0.2(13) . . . . ?
C20 C21 C22 C17 1.8(11) . . . . ?
C22 C17 C18 C19 0.0(9) . . . . ?
C23 C24 C25 C26 -0.5(9) . . . . ?
C24 C23 C28 C27 -0.4(9) . . . . ?
C24 C25 C26 C27 0.6(11) . . . . ?
C25 C26 C27 C28 -0.7(11) . . . . ?
C26 C27 C28 C23 0.5(10) . . . . ?
C28 C23 C24 C25 0.4(8) . . . . ?
C29 C30 C31 C32 0.0 . . . . ?
C30 C29 C34 C33 0.0 . . . . ?
C30 C31 C32 C33 0.0 . . . . ?
C31 C32 C33 C34 0.0 . . . . ?
C32 C33 C34 C29 0.0 . . . . ?
C34 C29 C30 C31 0.0 . . . . ?
C35 C36 C37 C38 2.1(10) . . . . ?
C36 C35 C40 C39 -0.3(9) . . . . ?
C36 C37 C38 C39 -3.9(12) . . . . ?
C37 C38 C39 C40 3.6(12) . . . . ?
C38 C39 C40 C35 -1.5(10) . . . . ?
C40 C35 C36 C37 0.0(9) . . . . ?
C41 C42 C43 C44 2.6(10) . . . . ?
C42 C41 C46 C45 0.9(9) . . . . ?
C42 C43 C44 C45 -0.7(12) . . . . ?
C43 C44 C45 C46 -1.3(12) . . . . ?
C44 C45 C46 C41 1.2(11) . . . . ?
C46 C41 C42 C43 -2.7(9) . . . . ?
Al1 O1_2 C47_2 C48_2 -179.6(7) . . . . ?
Al1 O1_2 C47_2 C49_2 -59.9(11) . . . . ?
Al1 O1_2 C47_2 C50_2 60.7(11) . . . . ?
Al1 O1_4 C47_4 C48_4 -109.9(19) . . . . ?
Al1 O1_4 C47_4 C49_4 15(2) . . . . ?
Al1 O1_4 C47_4 C50_4 134.0(17) . . . . ?
Al1 O1_6 C47_6 C48_6 33.6(16) . . . . ?
Al1 O1_6 C47_6 C49_6 157.0(11) . . . . ?
Al1 O1_6 C47_6 C50_6 -85.0(14) . . . . ?
Al1 O1_18 C47_18 C48_18 172(2) . . . . ?
Al1 O1_18 C47_18 C49_18 -61(3) . . . . ?
Al1 O1_18 C47_18 C50_18 56(3) . . . . ?
Al1 O1_20 C47_20 C48_20 71(4) . . . . ?
Al1 O1_20 C47_20 C49_20 -174(3) . . . . ?
Al1 O1_20 C47_20 C50_20 -52(4) . . . . ?
Al1 O1_21 C47_21 C48_21 83.2(17) . . . . ?
Al1 O1_21 C47_21 C49_21 -155.8(13) . . . . ?
Al1 O1_21 C47_21 C50_21 -35.3(19) . . . . ?
Al2 O1_1 C47_1 C48_1 43.3(10) . . . . ?
Al2 O1_1 C47_1 C49_1 161.3(7) . . . . ?
Al2 O1_1 C47_1 C50_1 -75.3(10) . . . . ?
Al2 O1_3 C47_3 C48_3 -61.8(11) . . . . ?
Al2 O1_3 C47_3 C49_3 58.7(10) . . . . ?
Al2 O1_3 C47_3 C50_3 179.6(7) . . . . ?
Al2 O1_5 C47_5 C48_5 28(2) . . . . ?
Al2 O1_5 C47_5 C49_5 152.3(19) . . . . ?
Al2 O1_5 C47_5 C50_5 -89(2) . . . . ?
Al2 O1_19 C47_19 C48_19 73(3) . . . . ?
Al2 O1_19 C47_19 C49_19 -151(3) . . . . ?
Al2 O1_19 C47_19 C50_19 -44(3) . . . . ?
F7 Al1 O1_2 C47_2 91.5(9) . . . . ?
F7 Al1 O1_4 C47_4 76(2) . . . . ?
F7 Al1 O1_6 C47_6 116.9(13) . . . . ?
F7 Al1 O1_18 C47_18 -93(3) . . . . ?
F7 Al1 O1_20 C47_20 -147(3) . . . . ?
F7 Al1 O1_21 C47_21 -113.3(15) . . . . ?
F7 Al2 O1_1 C47_1 -107.5(8) . . . . ?
F7 Al2 O1_3 C47_3 -119.0(8) . . . . ?
F7 Al2 O1_5 C47_5 -94(2) . . . . ?
F7 Al2 O1_19 C47_19 -156(3) . . . . ?
Al3 O1_7 C47_7 C48_7 65.8(14) . . . . ?
Al3 O1_7 C47_7 C49_7 -170.8(9) . . . . ?
Al3 O1_7 C47_7 C50_7 -51.7(15) . . . . ?
Al3 O1_9 C47_9 C48_9 -153(2) . . . . ?
Al3 O1_9 C47_9 C49_9 -29(3) . . . . ?
Al3 O1_9 C47_9 C50_9 90(3) . . . . ?
Al3 O1_12 C47_12 C48_12 140.9(13) . . . . ?
Al3 O1_12 C47_12 C49_12 -105.3(14) . . . . ?
Al3 O1_12 C47_12 C50_12 18.1(18) . . . . ?
Al3 O1_13 C47_13 C48_13 -69.3(18) . . . . ?
Al3 O1_13 C47_13 C49_13 53.0(19) . . . . ?
Al3 O1_13 C47_13 C50_13 171.6(13) . . . . ?
Al3 O1_14 C47_14 C48_14 -67(3) . . . . ?
Al3 O1_14 C47_14 C49_14 54(3) . . . . ?
Al3 O1_14 C47_14 C50_14 177(2) . . . . ?
Al3 O1_17 C47_17 C48_17 -77.7(18) . . . . ?
Al3 O1_17 C47_17 C49_17 45(2) . . . . ?
Al3 O1_17 C47_17 C50_17 163.7(14) . . . . ?
Al4 O1_8 C47_8 C48_8 -54.7(13) . . . . ?
Al4 O1_8 C47_8 C49_8 65.4(12) . . . . ?
Al4 O1_8 C47_8 C50_8 -175.3(10) . . . . ?
Al4 O1_10 C47_10 C48_10 26(2) . . . . ?
Al4 O1_10 C47_10 C49_10 146.6(17) . . . . ?
Al4 O1_10 C47_10 C50_10 -92(2) . . . . ?
Al4 O1_11 C47_11 C48_11 -56.9(18) . . . . ?
Al4 O1_11 C47_11 C49_11 63.7(18) . . . . ?
Al4 O1_11 C47_11 C50_11 -172.6(13) . . . . ?
Al4 O1_15 C47_15 C48_15 169.3(17) . . . . ?
Al4 O1_15 C47_15 C49_15 -70(2) . . . . ?
Al4 O1_15 C47_15 C50_15 51(2) . . . . ?
Al4 O1_16 C47_16 C48_16 176(3) . . . . ?
Al4 O1_16 C47_16 C49_16 -73(3) . . . . ?
Al4 O1_16 C47_16 C50_16 49(4) . . . . ?
F8 Al3 O1_7 C47_7 -103.6(12) . . . . ?
F8 Al3 O1_9 C47_9 -132(3) . . . . ?
F8 Al3 O1_12 C47_12 -93.5(15) . . . . ?
F8 Al3 O1_13 C47_13 109.3(16) . . . . ?
F8 Al3 O1_14 C47_14 159(2) . . . . ?
F8 Al3 O1_17 C47_17 50.6(18) . . . . ?
F8 Al4 O1_8 C47_8 104.8(11) . . . . ?
F8 Al4 O1_10 C47_10 139.1(19) . . . . ?
F8 Al4 O1_11 C47_11 101.8(16) . . . . ?
F8 Al4 O1_15 C47_15 27(2) . . . . ?
F8 Al4 O1_16 C47_16 -177(3) . . . . ?
F9 C50 C51 C52 -179.2(8) . . . . ?
C47 C48 C49 C50 0.0 . . . . ?
C48 C47 C52 C51 0.0 . . . . ?
C48 C49 C50 F9 179.2(8) . . . . ?
C48 C49 C50 C51 0.0 . . . . ?
C49 C50 C51 C52 0.0 . . . . ?
C50 C51 C52 C47 0.0 . . . . ?
C52 C47 C48 C49 0.0 . . . . ?
C53 C54 C55 C56 167.3(18) . . . . ?
C54 C55 C56 C57 -176(2) . . . . ?
C55 C56 C57 C58 -178(2) . . . . ?
O1_1 Al2 O1_3 C47_3 127.1(8) . . . . ?
O1_1 Al2 O1_5 C47_5 22(2) . . . . ?
O1_1 Al2 O1_19 C47_19 -46(3) . . . . ?
O1_1 C47_1 C48_1 F7_1 158.5(5) . . . . ?
O1_1 C47_1 C48_1 F8_1 -80.6(6) . . . . ?
O1_1 C47_1 C48_1 F9_1 41.3(7) . . . . ?
O1_1 C47_1 C49_1 F10_1 168.8(6) . . . . ?
O1_1 C47_1 C49_1 F11_1 -71.0(8) . . . . ?
O1_1 C47_1 C49_1 F12_1 47.9(7) . . . . ?
O1_1 C47_1 C50_1 F13_1 163.6(7) . . . . ?
O1_1 C47_1 C50_1 F14_1 -77.1(9) . . . . ?
O1_1 C47_1 C50_1 F15_1 40.2(9) . . . . ?
C48_1 C47_1 C49_1 F10_1 -73.8(8) . . . . ?
C48_1 C47_1 C49_1 F11_1 46.4(7) . . . . ?
C48_1 C47_1 C49_1 F12_1 165.4(5) . . . . ?
C48_1 C47_1 C50_1 F13_1 45.3(9) . . . . ?
C48_1 C47_1 C50_1 F14_1 164.6(8) . . . . ?
C48_1 C47_1 C50_1 F15_1 -78.0(8) . . . . ?
C49_1 C47_1 C48_1 F7_1 38.5(7) . . . . ?
C49_1 C47_1 C48_1 F8_1 159.3(5) . . . . ?
C49_1 C47_1 C48_1 F9_1 -78.8(6) . . . . ?
C49_1 C47_1 C50_1 F13_1 -71.9(9) . . . . ?
C49_1 C47_1 C50_1 F14_1 47.4(9) . . . . ?
C49_1 C47_1 C50_1 F15_1 164.8(7) . . . . ?
C50_1 C47_1 C48_1 F7_1 -79.4(7) . . . . ?
C50_1 C47_1 C48_1 F8_1 41.5(7) . . . . ?
C50_1 C47_1 C48_1 F9_1 163.3(6) . . . . ?
C50_1 C47_1 C49_1 F10_1 43.1(9) . . . . ?
C50_1 C47_1 C49_1 F11_1 163.3(6) . . . . ?
C50_1 C47_1 C49_1 F12_1 -77.7(7) . . . . ?
O1_2 Al1 O1_4 C47_4 -165.8(18) . . . . ?
O1_2 Al1 O1_6 C47_6 2.8(14) . . . . ?
O1_2 C47_2 C48_2 F7_2 163.1(8) . . . . ?
O1_2 C47_2 C48_2 F8_2 -76.0(8) . . . . ?
O1_2 C47_2 C48_2 F9_2 44.2(9) . . . . ?
O1_2 C47_2 C49_2 F10_2 163.5(7) . . . . ?
O1_2 C47_2 C49_2 F11_2 -70.9(10) . . . . ?
O1_2 C47_2 C49_2 F12_2 47.0(9) . . . . ?
O1_2 C47_2 C50_2 F13_2 158.9(8) . . . . ?
O1_2 C47_2 C50_2 F14_2 -80.3(10) . . . . ?
O1_2 C47_2 C50_2 F15_2 41.0(10) . . . . ?
C48_2 C47_2 C49_2 F10_2 -78.2(9) . . . . ?
C48_2 C47_2 C49_2 F11_2 47.4(10) . . . . ?
C48_2 C47_2 C49_2 F12_2 165.3(7) . . . . ?
C48_2 C47_2 C50_2 F13_2 40.4(10) . . . . ?
C48_2 C47_2 C50_2 F14_2 161.2(8) . . . . ?
C48_2 C47_2 C50_2 F15_2 -77.5(9) . . . . ?
C49_2 C47_2 C48_2 F7_2 43.1(10) . . . . ?
C49_2 C47_2 C48_2 F8_2 164.0(7) . . . . ?
C49_2 C47_2 C48_2 F9_2 -75.8(8) . . . . ?
C49_2 C47_2 C50_2 F13_2 -79.8(9) . . . . ?
C49_2 C47_2 C50_2 F14_2 41.0(10) . . . . ?
C49_2 C47_2 C50_2 F15_2 162.3(8) . . . . ?
C50_2 C47_2 C48_2 F7_2 -76.4(10) . . . . ?
C50_2 C47_2 C48_2 F8_2 44.4(9) . . . . ?
C50_2 C47_2 C48_2 F9_2 164.7(7) . . . . ?
C50_2 C47_2 C49_2 F10_2 41.7(10) . . . . ?
C50_2 C47_2 C49_2 F11_2 167.3(9) . . . . ?
C50_2 C47_2 C49_2 F12_2 -74.8(8) . . . . ?
F9_3 F15_19 C50_19 F13_19 135.3(13) . . . . ?
F9_3 F15_19 C50_19 F14_19 17(2) . . . . ?
F9_3 F15_19 C50_19 C47_19 -102.0(15) . . . . ?
O1_3 Al2 O1_1 C47_1 5.3(9) . . . . ?
O1_3 Al2 O1_5 C47_5 154.6(19) . . . . ?
O1_3 Al2 O1_19 C47_19 92(3) . . . . ?
O1_3 C47_3 C48_3 F7_3 166.3(8) . . . . ?
O1_3 C47_3 C48_3 F8_3 -76.1(8) . . . . ?
O1_3 C47_3 C48_3 F9_3 34.9(11) . . . . ?
O1_3 C47_3 C49_3 F10_3 163.5(8) . . . . ?
O1_3 C47_3 C49_3 F11_3 42.0(8) . . . . ?
O1_3 C47_3 C49_3 F12_3 -82.3(8) . . . . ?
O1_3 C47_3 C50_3 F13_3 162.7(6) . . . . ?
O1_3 C47_3 C50_3 F14_3 -78.4(8) . . . . ?
O1_3 C47_3 C50_3 F15_3 43.6(9) . . . . ?
C48_3 F9_3 F15_19 C50_19 122(3) . . . . ?
C48_3 C47_3 C49_3 F10_3 -75.5(9) . . . . ?
C48_3 C47_3 C49_3 F11_3 162.9(6) . . . . ?
C48_3 C47_3 C49_3 F12_3 38.7(9) . . . . ?
C48_3 C47_3 C50_3 F13_3 43.0(9) . . . . ?
C48_3 C47_3 C50_3 F14_3 161.9(7) . . . . ?
C48_3 C47_3 C50_3 F15_3 -76.1(9) . . . . ?
C49_3 C47_3 C48_3 F7_3 44.6(10) . . . . ?
C49_3 C47_3 C48_3 F8_3 162.2(7) . . . . ?
C49_3 C47_3 C48_3 F9_3 -86.8(9) . . . . ?
C49_3 C47_3 C50_3 F13_3 -75.1(8) . . . . ?
C49_3 C47_3 C50_3 F14_3 43.8(9) . . . . ?
C49_3 C47_3 C50_3 F15_3 165.8(8) . . . . ?
C50_3 C47_3 C48_3 F7_3 -73.6(10) . . . . ?
C50_3 C47_3 C48_3 F8_3 44.0(8) . . . . ?
C50_3 C47_3 C48_3 F9_3 155.0(8) . . . . ?
C50_3 C47_3 C49_3 F10_3 41.8(10) . . . . ?
C50_3 C47_3 C49_3 F11_3 -79.8(7) . . . . ?
C50_3 C47_3 C49_3 F12_3 156.0(7) . . . . ?
O1_4 Al1 O1_2 C47_2 -29.2(11) . . . . ?
O1_4 Al1 O1_6 C47_6 -123.8(13) . . . . ?
O1_4 C47_4 C48_4 F7_4 -163.0(12) . . . . ?
O1_4 C47_4 C48_4 F8_4 -48.0(13) . . . . ?
O1_4 C47_4 C48_4 F9_4 78.0(11) . . . . ?
O1_4 C47_4 C49_4 F10_4 -158.0(10) . . . . ?
O1_4 C47_4 C49_4 F11_4 78.1(10) . . . . ?
O1_4 C47_4 C49_4 F12_4 -39.4(11) . . . . ?
O1_4 C47_4 C50_4 F13_4 -160.9(12) . . . . ?
O1_4 C47_4 C50_4 F14_4 -44.9(12) . . . . ?
O1_4 C47_4 C50_4 F15_4 75.4(12) . . . . ?
C48_4 C47_4 C49_4 F10_4 -33.4(12) . . . . ?
C48_4 C47_4 C49_4 F11_4 -157.2(9) . . . . ?
C48_4 C47_4 C49_4 F12_4 85.2(10) . . . . ?
C48_4 C47_4 C50_4 F13_4 80.8(12) . . . . ?
C48_4 C47_4 C50_4 F14_4 -163.2(9) . . . . ?
C48_4 C47_4 C50_4 F15_4 -42.9(12) . . . . ?
C49_4 C47_4 C48_4 F7_4 70.5(13) . . . . ?
C49_4 C47_4 C48_4 F8_4 -174.5(10) . . . . ?
C49_4 C47_4 C48_4 F9_4 -48.5(11) . . . . ?
C49_4 C47_4 C50_4 F13_4 -38.1(13) . . . . ?
C49_4 C47_4 C50_4 F14_4 77.9(11) . . . . ?
C49_4 C47_4 C50_4 F15_4 -161.8(9) . . . . ?
C50_4 C47_4 C48_4 F7_4 -47.1(14) . . . . ?
C50_4 C47_4 C48_4 F8_4 67.9(12) . . . . ?
C50_4 C47_4 C48_4 F9_4 -166.1(10) . . . . ?
C50_4 C47_4 C49_4 F10_4 83.4(11) . . . . ?
C50_4 C47_4 C49_4 F11_4 -40.4(10) . . . . ?
C50_4 C47_4 C49_4 F12_4 -157.9(9) . . . . ?
O1_5 Al2 O1_1 C47_1 135.1(9) . . . . ?
O1_5 Al2 O1_3 C47_3 -5.5(10) . . . . ?
O1_5 C47_5 C48_5 F7_5 160.1(11) . . . . ?
O1_5 C47_5 C48_5 F8_5 -72.1(12) . . . . ?
O1_5 C47_5 C48_5 F9_5 44.6(12) . . . . ?
O1_5 C47_5 C49_5 F10_5 -97.7(14) . . . . ?
O1_5 C47_5 C49_5 F11_5 151.9(13) . . . . ?
O1_5 C47_5 C49_5 F12_5 21.0(16) . . . . ?
O1_5 C47_5 C50_5 F13_5 162.9(12) . . . . ?
O1_5 C47_5 C50_5 F14_5 -69.8(13) . . . . ?
O1_5 C47_5 C50_5 F15_5 42.4(12) . . . . ?
C48_5 C47_5 C49_5 F10_5 28.9(14) . . . . ?
C48_5 C47_5 C49_5 F11_5 -81.5(14) . . . . ?
C48_5 C47_5 C49_5 F12_5 147.7(13) . . . . ?
C48_5 C47_5 C50_5 F13_5 41.4(14) . . . . ?
C48_5 C47_5 C50_5 F14_5 168.7(10) . . . . ?
C48_5 C47_5 C50_5 F15_5 -79.1(11) . . . . ?
C49_5 C47_5 C48_5 F7_5 34.6(12) . . . . ?
C49_5 C47_5 C48_5 F8_5 162.4(10) . . . . ?
C49_5 C47_5 C48_5 F9_5 -81.0(10) . . . . ?
C49_5 C47_5 C50_5 F13_5 -76.4(14) . . . . ?
C49_5 C47_5 C50_5 F14_5 50.9(13) . . . . ?
C49_5 C47_5 C50_5 F15_5 163.1(10) . . . . ?
C50_5 C47_5 C48_5 F7_5 -83.2(11) . . . . ?
C50_5 C47_5 C48_5 F8_5 44.6(11) . . . . ?
C50_5 C47_5 C48_5 F9_5 161.2(9) . . . . ?
C50_5 C47_5 C49_5 F10_5 145.0(12) . . . . ?
C50_5 C47_5 C49_5 F11_5 34.6(15) . . . . ?
C50_5 C47_5 C49_5 F12_5 -96.2(14) . . . . ?
O1_6 Al1 O1_2 C47_2 -155.7(9) . . . . ?
O1_6 Al1 O1_4 C47_4 -40(2) . . . . ?
O1_6 C47_6 C48_6 F7_6 163.3(11) . . . . ?
O1_6 C47_6 C48_6 F8_6 -76.1(10) . . . . ?
O1_6 C47_6 C48_6 F9_6 42.3(12) . . . . ?
O1_6 C47_6 C49_6 F10_6 162.6(10) . . . . ?
O1_6 C47_6 C49_6 F11_6 -78.8(12) . . . . ?
O1_6 C47_6 C49_6 F12_6 44.0(12) . . . . ?
O1_6 C47_6 C50_6 F13_6 159.4(9) . . . . ?
O1_6 C47_6 C50_6 F14_6 -82.1(10) . . . . ?
O1_6 C47_6 C50_6 F15_6 50.7(11) . . . . ?
C48_6 C47_6 C49_6 F10_6 -72.7(12) . . . . ?
C48_6 C47_6 C49_6 F11_6 45.9(12) . . . . ?
C48_6 C47_6 C49_6 F12_6 168.7(10) . . . . ?
C48_6 C47_6 C50_6 F13_6 39.3(12) . . . . ?
C48_6 C47_6 C50_6 F14_6 157.8(9) . . . . ?
C48_6 C47_6 C50_6 F15_6 -69.4(11) . . . . ?
C49_6 C47_6 C48_6 F7_6 39.4(13) . . . . ?
C49_6 C47_6 C48_6 F8_6 159.9(9) . . . . ?
C49_6 C47_6 C48_6 F9_6 -81.7(11) . . . . ?
C49_6 C47_6 C50_6 F13_6 -82.0(11) . . . . ?
C49_6 C47_6 C50_6 F14_6 36.6(12) . . . . ?
C49_6 C47_6 C50_6 F15_6 169.4(10) . . . . ?
C50_6 C47_6 C48_6 F7_6 -82.0(12) . . . . ?
C50_6 C47_6 C48_6 F8_6 38.6(11) . . . . ?
C50_6 C47_6 C48_6 F9_6 157.0(9) . . . . ?
C50_6 C47_6 C49_6 F10_6 48.6(12) . . . . ?
C50_6 C47_6 C49_6 F11_6 167.2(10) . . . . ?
C50_6 C47_6 C49_6 F12_6 -70.0(12) . . . . ?
O1_7 Al3 O1_9 C47_9 -19(3) . . . . ?
O1_7 Al3 O1_12 C47_12 155.7(14) . . . . ?
O1_7 C47_7 C48_7 F7_7 -162.7(10) . . . . ?
O1_7 C47_7 C48_7 F8_7 -40.5(14) . . . . ?
O1_7 C47_7 C48_7 F9_7 78.7(10) . . . . ?
O1_7 C47_7 C49_7 F10_7 -167.3(9) . . . . ?
O1_7 C47_7 C49_7 F11_7 74.0(11) . . . . ?
O1_7 C47_7 C49_7 F12_7 -51.5(13) . . . . ?
O1_7 C47_7 C50_7 F13_7 -158.9(10) . . . . ?
O1_7 C47_7 C50_7 F14_7 -39.7(11) . . . . ?
O1_7 C47_7 C50_7 F15_7 78.9(11) . . . . ?
C48_7 C47_7 C49_7 F10_7 -44.3(11) . . . . ?
C48_7 C47_7 C49_7 F11_7 -163.0(10) . . . . ?
C48_7 C47_7 C49_7 F12_7 71.5(13) . . . . ?
C48_7 C47_7 C50_7 F13_7 80.9(11) . . . . ?
C48_7 C47_7 C50_7 F14_7 -159.9(9) . . . . ?
C48_7 C47_7 C50_7 F15_7 -41.2(10) . . . . ?
C49_7 C47_7 C48_7 F7_7 75.2(12) . . . . ?
C49_7 C47_7 C48_7 F8_7 -162.6(11) . . . . ?
C49_7 C47_7 C48_7 F9_7 -43.4(10) . . . . ?
C49_7 C47_7 C50_7 F13_7 -39.3(12) . . . . ?
C49_7 C47_7 C50_7 F14_7 80.0(10) . . . . ?
C49_7 C47_7 C50_7 F15_7 -161.4(9) . . . . ?
C50_7 C47_7 C48_7 F7_7 -43.0(12) . . . . ?
C50_7 C47_7 C48_7 F8_7 79.2(12) . . . . ?
C50_7 C47_7 C48_7 F9_7 -161.6(8) . . . . ?
C50_7 C47_7 C49_7 F10_7 72.6(10) . . . . ?
C50_7 C47_7 C49_7 F11_7 -46.1(12) . . . . ?
C50_7 C47_7 C49_7 F12_7 -171.6(12) . . . . ?
O1_8 Al4 O1_10 C47_10 -105.3(19) . . . . ?
O1_8 Al4 O1_11 C47_11 -14.9(18) . . . . ?
O1_8 Al4 O1_15 C47_15 146.6(19) . . . . ?
O1_8 Al4 O1_16 C47_16 73(3) . . . . ?
O1_8 C47_8 C48_8 F7_8 176.1(7) . . . . ?
O1_8 C47_8 C48_8 F8_8 -61.7(8) . . . . ?
O1_8 C47_8 C48_8 F9_8 48.0(8) . . . . ?
O1_8 C47_8 C49_8 F10_8 -72.6(6) . . . . ?
O1_8 C47_8 C49_8 F11_8 170.1(5) . . . . ?
O1_8 C47_8 C49_8 F12_8 50.5(7) . . . . ?
O1_8 C47_8 C50_8 F13_8 178.6(7) . . . . ?
O1_8 C47_8 C50_8 F14_8 -65.9(7) . . . . ?
O1_8 C47_8 C50_8 F15_8 57.2(8) . . . . ?
C48_8 C47_8 C49_8 F10_8 51.3(6) . . . . ?
C48_8 C47_8 C49_8 F11_8 -66.0(7) . . . . ?
C48_8 C47_8 C49_8 F12_8 174.5(6) . . . . ?
C48_8 C47_8 C50_8 F13_8 55.1(8) . . . . ?
C48_8 C47_8 C50_8 F14_8 170.6(6) . . . . ?
C48_8 C47_8 C50_8 F15_8 -66.3(8) . . . . ?
C49_8 C47_8 C48_8 F7_8 55.0(8) . . . . ?
C49_8 C47_8 C48_8 F8_8 177.1(6) . . . . ?
C49_8 C47_8 C48_8 F9_8 -73.1(8) . . . . ?
C49_8 C47_8 C50_8 F13_8 -62.7(8) . . . . ?
C49_8 C47_8 C50_8 F14_8 52.8(7) . . . . ?
C49_8 C47_8 C50_8 F15_8 175.9(7) . . . . ?
C50_8 C47_8 C48_8 F7_8 -64.5(8) . . . . ?
C50_8 C47_8 C48_8 F8_8 57.7(7) . . . . ?
C50_8 C47_8 C48_8 F9_8 167.4(7) . . . . ?
C50_8 C47_8 C49_8 F10_8 170.1(5) . . . . ?
C50_8 C47_8 C49_8 F11_8 52.9(7) . . . . ?
C50_8 C47_8 C49_8 F12_8 -66.7(7) . . . . ?
O1_9 Al3 O1_7 C47_7 143.3(12) . . . . ?
O1_9 Al3 O1_12 C47_12 24.2(17) . . . . ?
O1_9 C47_9 C48_9 F7_9 -155.2(11) . . . . ?
O1_9 C47_9 C48_9 F8_9 -38.8(15) . . . . ?
O1_9 C47_9 C48_9 F9_9 85.6(11) . . . . ?
O1_9 C47_9 C49_9 F10_9 93.9(13) . . . . ?
O1_9 C47_9 C49_9 F11_9 -142.7(13) . . . . ?
O1_9 C47_9 C49_9 F12_9 -19.3(13) . . . . ?
O1_9 C47_9 C50_9 F13_9 -168.5(12) . . . . ?
O1_9 C47_9 C50_9 F14_9 -51.4(14) . . . . ?
O1_9 C47_9 C50_9 F15_9 81.1(15) . . . . ?
C48_9 C47_9 C49_9 F10_9 -143.8(11) . . . . ?
C48_9 C47_9 C49_9 F11_9 -20.4(15) . . . . ?
C48_9 C47_9 C49_9 F12_9 102.9(11) . . . . ?
C48_9 C47_9 C50_9 F13_9 74.3(13) . . . . ?
C48_9 C47_9 C50_9 F14_9 -168.5(11) . . . . ?
C48_9 C47_9 C50_9 F15_9 -36.1(15) . . . . ?
C49_9 C47_9 C48_9 F7_9 80.9(12) . . . . ?
C49_9 C47_9 C48_9 F8_9 -162.6(12) . . . . ?
C49_9 C47_9 C48_9 F9_9 -38.3(12) . . . . ?
C49_9 C47_9 C50_9 F13_9 -48.2(13) . . . . ?
C49_9 C47_9 C50_9 F14_9 69.0(14) . . . . ?
C49_9 C47_9 C50_9 F15_9 -158.6(12) . . . . ?
C50_9 C47_9 C48_9 F7_9 -40.5(13) . . . . ?
C50_9 C47_9 C48_9 F8_9 75.9(14) . . . . ?
C50_9 C47_9 C48_9 F9_9 -159.7(10) . . . . ?
C50_9 C47_9 C49_9 F10_9 -22.2(12) . . . . ?
C50_9 C47_9 C49_9 F11_9 101.2(13) . . . . ?
C50_9 C47_9 C49_9 F12_9 -135.5(10) . . . . ?
O1_10 Al4 O1_8 C47_8 -7.8(13) . . . . ?
O1_10 Al4 O1_11 C47_11 -152.7(15) . . . . ?
O1_10 C47_10 C48_10 F7_10 163.6(10) . . . . ?
O1_10 C47_10 C48_10 F8_10 -77.8(10) . . . . ?
O1_10 C47_10 C48_10 F9_10 36.7(12) . . . . ?
O1_10 C47_10 C49_10 F10_10 170.9(9) . . . . ?
O1_10 C47_10 C49_10 F11_10 49.9(13) . . . . ?
O1_10 C47_10 C49_10 F12_10 -74.4(11) . . . . ?
O1_10 C47_10 C50_10 F13_10 163.4(10) . . . . ?
O1_10 C47_10 C50_10 F14_10 -79.5(14) . . . . ?
O1_10 C47_10 C50_10 F15_10 43.0(14) . . . . ?
C48_10 C47_10 C49_10 F10_10 -69.3(11) . . . . ?
C48_10 C47_10 C49_10 F11_10 169.7(10) . . . . ?
C48_10 C47_10 C49_10 F12_10 45.4(11) . . . . ?
C48_10 C47_10 C50_10 F13_10 43.5(12) . . . . ?
C48_10 C47_10 C50_10 F14_10 160.7(12) . . . . ?
C48_10 C47_10 C50_10 F15_10 -76.9(13) . . . . ?
C49_10 C47_10 C48_10 F7_10 43.7(11) . . . . ?
C49_10 C47_10 C48_10 F8_10 162.3(8) . . . . ?
C49_10 C47_10 C48_10 F9_10 -83.2(10) . . . . ?
C49_10 C47_10 C50_10 F13_10 -75.4(11) . . . . ?
C49_10 C47_10 C50_10 F14_10 41.8(14) . . . . ?
C49_10 C47_10 C50_10 F15_10 164.2(11) . . . . ?
C50_10 C47_10 C48_10 F7_10 -74.4(11) . . . . ?
C50_10 C47_10 C48_10 F8_10 44.2(10) . . . . ?
C50_10 C47_10 C48_10 F9_10 158.7(9) . . . . ?
C50_10 C47_10 C49_10 F10_10 47.6(11) . . . . ?
C50_10 C47_10 C49_10 F11_10 -73.4(12) . . . . ?
C50_10 C47_10 C49_10 F12_10 162.3(10) . . . . ?
O1_11 Al4 O1_8 C47_8 -139.4(11) . . . . ?
O1_11 Al4 O1_10 C47_10 30(2) . . . . ?
O1_11 C47_11 C48_11 F7_11 170.1(9) . . . . ?
O1_11 C47_11 C48_11 F8_11 -70.9(10) . . . . ?
O1_11 C47_11 C48_11 F9_11 42.7(11) . . . . ?
O1_11 C47_11 C49_11 F10_11 165.4(9) . . . . ?
O1_11 C47_11 C49_11 F11_11 41.3(12) . . . . ?
O1_11 C47_11 C49_11 F12_11 -81.8(10) . . . . ?
O1_11 C47_11 C50_11 F13_11 163.8(13) . . . . ?
O1_11 C47_11 C50_11 F14_11 -92.0(12) . . . . ?
O1_11 C47_11 C50_11 F15_11 32.9(15) . . . . ?
C48_11 C47_11 C49_11 F10_11 -73.3(10) . . . . ?
C48_11 C47_11 C49_11 F11_11 162.6(8) . . . . ?
C48_11 C47_11 C49_11 F12_11 39.5(9) . . . . ?
C48_11 C47_11 C50_11 F13_11 47.7(14) . . . . ?
C48_11 C47_11 C50_11 F14_11 151.9(10) . . . . ?
C48_11 C47_11 C50_11 F15_11 -83.3(14) . . . . ?
C49_11 C47_11 C48_11 F7_11 44.4(11) . . . . ?
C49_11 C47_11 C48_11 F8_11 163.5(8) . . . . ?
C49_11 C47_11 C48_11 F9_11 -83.0(10) . . . . ?
C49_11 C47_11 C50_11 F13_11 -69.6(14) . . . . ?
C49_11 C47_11 C50_11 F14_11 34.5(12) . . . . ?
C49_11 C47_11 C50_11 F15_11 159.4(13) . . . . ?
C50_11 C47_11 C48_11 F7_11 -75.4(11) . . . . ?
C50_11 C47_11 C48_11 F8_11 43.7(10) . . . . ?
C50_11 C47_11 C48_11 F9_11 157.3(9) . . . . ?
C50_11 C47_11 C49_11 F10_11 44.4(11) . . . . ?
C50_11 C47_11 C49_11 F11_11 -79.8(10) . . . . ?
C50_11 C47_11 C49_11 F12_11 157.1(8) . . . . ?
O1_12 Al3 O1_7 C47_7 8.5(13) . . . . ?
O1_12 Al3 O1_9 C47_9 109(3) . . . . ?
O1_12 C47_12 C48_12 F7_12 172.1(11) . . . . ?
O1_12 C47_12 C48_12 F8_12 -74.1(12) . . . . ?
O1_12 C47_12 C48_12 F9_12 39.9(12) . . . . ?
O1_12 C47_12 C49_12 F10_12 162.1(9) . . . . ?
O1_12 C47_12 C49_12 F11_12 51.6(16) . . . . ?
O1_12 C47_12 C49_12 F12_12 -78.4(13) . . . . ?
O1_12 C47_12 C50_12 F13_12 151.7(12) . . . . ?
O1_12 C47_12 C50_12 F14_12 -84.8(10) . . . . ?
O1_12 C47_12 C50_12 F15_12 32.5(14) . . . . ?
C48_12 C47_12 C49_12 F10_12 -83.0(10) . . . . ?
C48_12 C47_12 C49_12 F11_12 166.5(14) . . . . ?
C48_12 C47_12 C49_12 F12_12 36.4(13) . . . . ?
C48_12 C47_12 C50_12 F13_12 33.1(14) . . . . ?
C48_12 C47_12 C50_12 F14_12 156.7(9) . . . . ?
C48_12 C47_12 C50_12 F15_12 -86.0(13) . . . . ?
C49_12 C47_12 C48_12 F7_12 54.0(13) . . . . ?
C49_12 C47_12 C48_12 F8_12 167.8(11) . . . . ?
C49_12 C47_12 C48_12 F9_12 -78.2(11) . . . . ?
C49_12 C47_12 C50_12 F13_12 -85.1(13) . . . . ?
C49_12 C47_12 C50_12 F14_12 38.5(11) . . . . ?
C49_12 C47_12 C50_12 F15_12 155.7(12) . . . . ?
C50_12 C47_12 C48_12 F7_12 -68.0(13) . . . . ?
C50_12 C47_12 C48_12 F8_12 45.8(13) . . . . ?
C50_12 C47_12 C48_12 F9_12 159.7(10) . . . . ?
C50_12 C47_12 C49_12 F10_12 40.3(11) . . . . ?
C50_12 C47_12 C49_12 F11_12 -70.2(16) . . . . ?
C50_12 C47_12 C49_12 F12_12 159.7(11) . . . . ?
O1_13 Al3 O1_14 C47_14 50(3) . . . . ?
O1_13 Al3 O1_17 C47_17 166.7(16) . . . . ?
O1_13 C47_13 C48_13 F7_13 165.0(13) . . . . ?
O1_13 C47_13 C48_13 F8_13 -71.3(15) . . . . ?
O1_13 C47_13 C48_13 F9_13 37.4(17) . . . . ?
O1_13 C47_13 C49_13 F10_13 35.7(16) . . . . ?
O1_13 C47_13 C49_13 F11_13 -71.2(13) . . . . ?
O1_13 C47_13 C49_13 F12_13 172.8(12) . . . . ?
O1_13 C47_13 C50_13 F13_13 170.6(11) . . . . ?
O1_13 C47_13 C50_13 F14_13 -77.7(15) . . . . ?
O1_13 C47_13 C50_13 F15_13 40.9(16) . . . . ?
C48_13 C47_13 C49_13 F10_13 159.3(13) . . . . ?
C48_13 C47_13 C49_13 F11_13 52.3(14) . . . . ?
C48_13 C47_13 C49_13 F12_13 -63.6(15) . . . . ?
C48_13 C47_13 C50_13 F13_13 47.5(14) . . . . ?
C48_13 C47_13 C50_13 F14_13 159.2(13) . . . . ?
C48_13 C47_13 C50_13 F15_13 -82.3(15) . . . . ?
C49_13 C47_13 C48_13 F7_13 44.1(17) . . . . ?
C49_13 C47_13 C48_13 F8_13 167.8(12) . . . . ?
C49_13 C47_13 C48_13 F9_13 -83.5(15) . . . . ?
C49_13 C47_13 C50_13 F13_13 -70.5(14) . . . . ?
C49_13 C47_13 C50_13 F14_13 41.2(15) . . . . ?
C49_13 C47_13 C50_13 F15_13 159.8(13) . . . . ?
C50_13 C47_13 C48_13 F7_13 -71.8(16) . . . . ?
C50_13 C47_13 C48_13 F8_13 51.9(14) . . . . ?
C50_13 C47_13 C48_13 F9_13 160.6(14) . . . . ?
C50_13 C47_13 C49_13 F10_13 -86.1(14) . . . . ?
C50_13 C47_13 C49_13 F11_13 166.9(12) . . . . ?
C50_13 C47_13 C49_13 F12_13 51.0(15) . . . . ?
O1_14 Al3 O1_13 C47_13 -147.8(17) . . . . ?
O1_14 Al3 O1_17 C47_17 -65.8(19) . . . . ?
O1_14 C47_14 C48_14 F7_14 -157.8(12) . . . . ?
O1_14 C47_14 C48_14 F8_14 -36.9(15) . . . . ?
O1_14 C47_14 C48_14 F9_14 82.4(12) . . . . ?
O1_14 C47_14 C49_14 F10_14 169.8(17) . . . . ?
O1_14 C47_14 C49_14 F11_14 -75.7(15) . . . . ?
O1_14 C47_14 C49_14 F12_14 46.1(17) . . . . ?
O1_14 C47_14 C50_14 F13_14 -164.6(14) . . . . ?
O1_14 C47_14 C50_14 F14_14 -43.1(15) . . . . ?
O1_14 C47_14 C50_14 F15_14 76.2(14) . . . . ?
C48_14 C47_14 C49_14 F10_14 -64.9(18) . . . . ?
C48_14 C47_14 C49_14 F11_14 49.6(14) . . . . ?
C48_14 C47_14 C49_14 F12_14 171.4(12) . . . . ?
C48_14 C47_14 C50_14 F13_14 73.7(13) . . . . ?
C48_14 C47_14 C50_14 F14_14 -164.8(10) . . . . ?
C48_14 C47_14 C50_14 F15_14 -45.5(13) . . . . ?
C49_14 C47_14 C48_14 F7_14 78.8(13) . . . . ?
C49_14 C47_14 C48_14 F8_14 -160.3(12) . . . . ?
C49_14 C47_14 C48_14 F9_14 -41.0(12) . . . . ?
C49_14 C47_14 C50_14 F13_14 -42.6(15) . . . . ?
C49_14 C47_14 C50_14 F14_14 78.8(13) . . . . ?
C49_14 C47_14 C50_14 F15_14 -161.9(12) . . . . ?
C50_14 C47_14 C48_14 F7_14 -40.6(13) . . . . ?
C50_14 C47_14 C48_14 F8_14 80.3(12) . . . . ?
C50_14 C47_14 C48_14 F9_14 -160.4(9) . . . . ?
C50_14 C47_14 C49_14 F10_14 50.0(19) . . . . ?
C50_14 C47_14 C49_14 F11_14 164.4(12) . . . . ?
C50_14 C47_14 C49_14 F12_14 -73.8(15) . . . . ?
O1_15 Al4 O1_8 C47_8 -20.9(13) . . . . ?
O1_15 Al4 O1_16 C47_16 -48(3) . . . . ?
O1_15 C47_15 C48_15 F7_15 -162.0(11) . . . . ?
O1_15 C47_15 C48_15 F8_15 -39.8(12) . . . . ?
O1_15 C47_15 C48_15 F9_15 77.7(13) . . . . ?
O1_15 C47_15 C49_15 F10_15 -162.2(10) . . . . ?
O1_15 C47_15 C49_15 F11_15 75.7(11) . . . . ?
O1_15 C47_15 C49_15 F12_15 -41.4(12) . . . . ?
O1_15 C47_15 C50_15 F13_15 75.0(13) . . . . ?
O1_15 C47_15 C50_15 F14_15 -164.5(10) . . . . ?
O1_15 C47_15 C50_15 F15_15 -43.4(14) . . . . ?
C48_15 C47_15 C49_15 F10_15 -44.1(11) . . . . ?
C48_15 C47_15 C49_15 F11_15 -166.1(8) . . . . ?
C48_15 C47_15 C49_15 F12_15 76.7(11) . . . . ?
C48_15 C47_15 C50_15 F13_15 -41.6(13) . . . . ?
C48_15 C47_15 C50_15 F14_15 78.9(12) . . . . ?
C48_15 C47_15 C50_15 F15_15 -160.1(11) . . . . ?
C49_15 C47_15 C48_15 F7_15 76.0(11) . . . . ?
C49_15 C47_15 C48_15 F8_15 -161.8(9) . . . . ?
C49_15 C47_15 C48_15 F9_15 -44.3(12) . . . . ?
C49_15 C47_15 C50_15 F13_15 -161.0(11) . . . . ?
C49_15 C47_15 C50_15 F14_15 -40.5(12) . . . . ?
C49_15 C47_15 C50_15 F15_15 80.6(13) . . . . ?
C50_15 C47_15 C48_15 F7_15 -42.4(12) . . . . ?
C50_15 C47_15 C48_15 F8_15 79.8(11) . . . . ?
C50_15 C47_15 C48_15 F9_15 -162.7(11) . . . . ?
C50_15 C47_15 C49_15 F10_15 74.8(11) . . . . ?
C50_15 C47_15 C49_15 F11_15 -47.3(11) . . . . ?
C50_15 C47_15 C49_15 F12_15 -164.4(10) . . . . ?
O1_16 Al4 O1_8 C47_8 -150.2(13) . . . . ?
O1_16 Al4 O1_15 C47_15 -94(2) . . . . ?
O1_16 C47_16 C48_16 F7_16 68.8(16) . . . . ?
O1_16 C47_16 C48_16 F8_16 -157.3(16) . . . . ?
O1_16 C47_16 C48_16 F9_16 -55.3(17) . . . . ?
O1_16 C47_16 C49_16 F10_16 -161.8(17) . . . . ?
O1_16 C47_16 C49_16 F11_16 84.7(17) . . . . ?
O1_16 C47_16 C49_16 F12_16 -46.1(17) . . . . ?
O1_16 C47_16 C50_16 F13_16 98(2) . . . . ?
O1_16 C47_16 C50_16 F14_16 -140.1(16) . . . . ?
O1_16 C47_16 C50_16 F15_16 -25(2) . . . . ?
C48_16 C47_16 C49_16 F10_16 -44.3(17) . . . . ?
C48_16 C47_16 C49_16 F11_16 -157.9(14) . . . . ?
C48_16 C47_16 C49_16 F12_16 71.4(15) . . . . ?
C48_16 C47_16 C50_16 F13_16 -30(2) . . . . ?
C48_16 C47_16 C50_16 F14_16 92.4(15) . . . . ?
C48_16 C47_16 C50_16 F15_16 -153.0(15) . . . . ?
C49_16 C47_16 C48_16 F7_16 -47.7(14) . . . . ?
C49_16 C47_16 C48_16 F8_16 86.2(16) . . . . ?
C49_16 C47_16 C48_16 F9_16 -171.9(13) . . . . ?
C49_16 C47_16 C50_16 F13_16 -139.3(18) . . . . ?
C49_16 C47_16 C50_16 F14_16 -17.2(16) . . . . ?
C49_16 C47_16 C50_16 F15_16 97.3(17) . . . . ?
C50_16 C47_16 C48_16 F7_16 -161.7(13) . . . . ?
C50_16 C47_16 C48_16 F8_16 -27.8(19) . . . . ?
C50_16 C47_16 C48_16 F9_16 74.1(16) . . . . ?
C50_16 C47_16 C49_16 F10_16 72.5(18) . . . . ?
C50_16 C47_16 C49_16 F11_16 -41.0(16) . . . . ?
C50_16 C47_16 C49_16 F12_16 -171.7(14) . . . . ?
O1_17 Al3 O1_13 C47_13 -10.7(17) . . . . ?
O1_17 Al3 O1_14 C47_14 -78(2) . . . . ?
O1_17 C47_17 C48_17 F7_17 -154.5(12) . . . . ?
O1_17 C47_17 C48_17 F8_17 -39.6(16) . . . . ?
O1_17 C47_17 C48_17 F9_17 79.4(13) . . . . ?
O1_17 C47_17 C49_17 F10_17 -168.6(12) . . . . ?
O1_17 C47_17 C49_17 F11_17 76.5(13) . . . . ?
O1_17 C47_17 C49_17 F12_17 -45.8(13) . . . . ?
O1_17 C47_17 C50_17 F13_17 -165.0(11) . . . . ?
O1_17 C47_17 C50_17 F14_17 -47.4(13) . . . . ?
O1_17 C47_17 C50_17 F15_17 71.7(12) . . . . ?
C48_17 C47_17 C49_17 F10_17 -47.4(14) . . . . ?
C48_17 C47_17 C49_17 F11_17 -162.3(11) . . . . ?
C48_17 C47_17 C49_17 F12_17 75.4(12) . . . . ?
C48_17 C47_17 C50_17 F13_17 78.3(12) . . . . ?
C48_17 C47_17 C50_17 F14_17 -164.0(10) . . . . ?
C48_17 C47_17 C50_17 F15_17 -45.0(12) . . . . ?
C49_17 C47_17 C48_17 F7_17 81.1(13) . . . . ?
C49_17 C47_17 C48_17 F8_17 -164.0(14) . . . . ?
C49_17 C47_17 C48_17 F9_17 -45.1(13) . . . . ?
C49_17 C47_17 C50_17 F13_17 -43.0(13) . . . . ?
C49_17 C47_17 C50_17 F14_17 74.7(12) . . . . ?
C49_17 C47_17 C50_17 F15_17 -166.3(10) . . . . ?
C50_17 C47_17 C48_17 F7_17 -39.0(15) . . . . ?
C50_17 C47_17 C48_17 F8_17 75.9(15) . . . . ?
C50_17 C47_17 C48_17 F9_17 -165.2(10) . . . . ?
C50_17 C47_17 C49_17 F10_17 74.0(13) . . . . ?
C50_17 C47_17 C49_17 F11_17 -40.9(13) . . . . ?
C50_17 C47_17 C49_17 F12_17 -163.1(10) . . . . ?
O1_18 Al1 O1_20 C47_20 96(3) . . . . ?
O1_18 Al1 O1_21 C47_21 2.6(17) . . . . ?
O1_18 C47_18 C48_18 F7_18 81.2(15) . . . . ?
O1_18 C47_18 C48_18 F8_18 -161.4(12) . . . . ?
O1_18 C47_18 C48_18 F9_18 -40.8(17) . . . . ?
O1_18 C47_18 C49_18 F10_18 -23.5(17) . . . . ?
O1_18 C47_18 C49_18 F11_18 -137.7(15) . . . . ?
O1_18 C47_18 C49_18 F12_18 81.2(17) . . . . ?
O1_18 C47_18 C50_18 F13_18 -168.5(12) . . . . ?
O1_18 C47_18 C50_18 F14_18 -72.6(12) . . . . ?
O1_18 C47_18 C50_18 F15_18 85.4(13) . . . . ?
C48_18 C47_18 C49_18 F10_18 107.3(14) . . . . ?
C48_18 C47_18 C49_18 F11_18 -6.9(17) . . . . ?
C48_18 C47_18 C49_18 F12_18 -148.0(14) . . . . ?
C48_18 C47_18 C50_18 F13_18 70.6(14) . . . . ?
C48_18 C47_18 C50_18 F14_18 166.6(12) . . . . ?
C48_18 C47_18 C50_18 F15_18 -35.4(14) . . . . ?
C49_18 C47_18 C48_18 F7_18 -49.0(14) . . . . ?
C49_18 C47_18 C48_18 F8_18 68.4(14) . . . . ?
C49_18 C47_18 C48_18 F9_18 -170.9(13) . . . . ?
C49_18 C47_18 C50_18 F13_18 -48.8(15) . . . . ?
C49_18 C47_18 C50_18 F14_18 47.1(13) . . . . ?
C49_18 C47_18 C50_18 F15_18 -154.8(12) . . . . ?
C50_18 C47_18 C48_18 F7_18 -169.7(12) . . . . ?
C50_18 C47_18 C48_18 F8_18 -52.3(13) . . . . ?
C50_18 C47_18 C48_18 F9_18 68.3(15) . . . . ?
C50_18 C47_18 C49_18 F10_18 -132.3(13) . . . . ?
C50_18 C47_18 C49_18 F11_18 113.4(15) . . . . ?
C50_18 C47_18 C49_18 F12_18 -27.6(16) . . . . ?
F15_19 F9_3 C48_3 F7_3 -175(3) . . . . ?
F15_19 F9_3 C48_3 F8_3 70(3) . . . . ?
F15_19 F9_3 C48_3 C47_3 -45(4) . . . . ?
O1_19 Al2 O1_1 C47_1 147.5(11) . . . . ?
O1_19 Al2 O1_3 C47_3 -9.0(13) . . . . ?
O1_19 C47_19 C48_19 F7_19 167.0(18) . . . . ?
O1_19 C47_19 C48_19 F8_19 -74.1(17) . . . . ?
O1_19 C47_19 C48_19 F9_19 36.2(18) . . . . ?
O1_19 C47_19 C49_19 F10_19 -50(2) . . . . ?
O1_19 C47_19 C49_19 F11_19 176.6(18) . . . . ?
O1_19 C47_19 C49_19 F12_19 54.1(17) . . . . ?
O1_19 C47_19 C50_19 F13_19 147.0(17) . . . . ?
O1_19 C47_19 C50_19 F14_19 -97.7(16) . . . . ?
O1_19 C47_19 C50_19 F15_19 30(2) . . . . ?
C48_19 C47_19 C49_19 F10_19 80.6(18) . . . . ?
C48_19 C47_19 C49_19 F11_19 -53(2) . . . . ?
C48_19 C47_19 C49_19 F12_19 -175.6(13) . . . . ?
C48_19 C47_19 C50_19 F13_19 30.7(17) . . . . ?
C48_19 C47_19 C50_19 F14_19 146.1(14) . . . . ?
C48_19 C47_19 C50_19 F15_19 -86.1(18) . . . . ?
C49_19 C47_19 C48_19 F7_19 34(2) . . . . ?
C49_19 C47_19 C48_19 F8_19 153.1(14) . . . . ?
C49_19 C47_19 C48_19 F9_19 -96.6(16) . . . . ?
C49_19 C47_19 C50_19 F13_19 -95.0(16) . . . . ?
C49_19 C47_19 C50_19 F14_19 20.3(15) . . . . ?
C49_19 C47_19 C50_19 F15_19 148.2(16) . . . . ?
C50_19 C47_19 C48_19 F7_19 -77.6(19) . . . . ?
C50_19 C47_19 C48_19 F8_19 41.2(16) . . . . ?
C50_19 C47_19 C48_19 F9_19 151.5(15) . . . . ?
C50_19 C47_19 C49_19 F10_19 -162.2(16) . . . . ?
C50_19 C47_19 C49_19 F11_19 64.1(18) . . . . ?
C50_19 C47_19 C49_19 F12_19 -58.3(15) . . . . ?
O1_20 Al1 O1_18 C47_18 20(3) . . . . ?
O1_20 Al1 O1_21 C47_21 141.6(16) . . . . ?
O1_20 C47_20 C48_20 F7_20 160.6(13) . . . . ?
O1_20 C47_20 C48_20 F8_20 -77.9(14) . . . . ?
O1_20 C47_20 C48_20 F9_20 39.1(15) . . . . ?
O1_20 C47_20 C49_20 F10_20 -73.7(19) . . . . ?
O1_20 C47_20 C49_20 F11_20 168.9(15) . . . . ?
O1_20 C47_20 C49_20 F12_20 48.0(17) . . . . ?
O1_20 C47_20 C50_20 F13_20 159.8(14) . . . . ?
O1_20 C47_20 C50_20 F14_20 -80.6(14) . . . . ?
O1_20 C47_20 C50_20 F15_20 36.6(16) . . . . ?
C48_20 C47_20 C49_20 F10_20 42.8(19) . . . . ?
C48_20 C47_20 C49_20 F11_20 -74.5(15) . . . . ?
C48_20 C47_20 C49_20 F12_20 164.6(14) . . . . ?
C48_20 C47_20 C50_20 F13_20 38.7(16) . . . . ?
C48_20 C47_20 C50_20 F14_20 158.3(11) . . . . ?
C48_20 C47_20 C50_20 F15_20 -84.4(14) . . . . ?
C49_20 C47_20 C48_20 F7_20 44.0(14) . . . . ?
C49_20 C47_20 C48_20 F8_20 165.6(12) . . . . ?
C49_20 C47_20 C48_20 F9_20 -77.4(13) . . . . ?
C49_20 C47_20 C50_20 F13_20 -79.2(16) . . . . ?
C49_20 C47_20 C50_20 F14_20 40.4(14) . . . . ?
C49_20 C47_20 C50_20 F15_20 157.7(13) . . . . ?
C50_20 C47_20 C48_20 F7_20 -76.8(14) . . . . ?
C50_20 C47_20 C48_20 F8_20 44.8(14) . . . . ?
C50_20 C47_20 C48_20 F9_20 161.8(12) . . . . ?
C50_20 C47_20 C49_20 F10_20 163.6(17) . . . . ?
C50_20 C47_20 C49_20 F11_20 46.3(16) . . . . ?
C50_20 C47_20 C49_20 F12_20 -74.6(16) . . . . ?
O1_21 Al1 O1_18 C47_18 151(3) . . . . ?
O1_21 Al1 O1_20 C47_20 -38(4) . . . . ?
O1_21 C47_21 C48_21 F7_21 -161.1(13) . . . . ?
O1_21 C47_21 C48_21 F8_21 -44.3(14) . . . . ?
O1_21 C47_21 C48_21 F9_21 70.7(17) . . . . ?
O1_21 C47_21 C49_21 F10_21 -163.5(13) . . . . ?
O1_21 C47_21 C49_21 F11_21 -42.6(15) . . . . ?
O1_21 C47_21 C49_21 F12_21 79.1(14) . . . . ?
O1_21 C47_21 C50_21 F13_21 80.1(12) . . . . ?
O1_21 C47_21 C50_21 F14_21 -163.6(14) . . . . ?
O1_21 C47_21 C50_21 F15_21 -41.5(14) . . . . ?
C48_21 C47_21 C49_21 F10_21 -42.2(16) . . . . ?
C48_21 C47_21 C49_21 F11_21 78.7(14) . . . . ?
C48_21 C47_21 C49_21 F12_21 -159.5(12) . . . . ?
C48_21 C47_21 C50_21 F13_21 -39.6(13) . . . . ?
C48_21 C47_21 C50_21 F14_21 76.7(16) . . . . ?
C48_21 C47_21 C50_21 F15_21 -161.2(12) . . . . ?
C49_21 C47_21 C48_21 F7_21 77.0(15) . . . . ?
C49_21 C47_21 C48_21 F8_21 -166.2(12) . . . . ?
C49_21 C47_21 C48_21 F9_21 -51.2(17) . . . . ?
C49_21 C47_21 C50_21 F13_21 -158.4(11) . . . . ?
C49_21 C47_21 C50_21 F14_21 -42.1(16) . . . . ?
C49_21 C47_21 C50_21 F15_21 79.9(13) . . . . ?
C50_21 C47_21 C48_21 F7_21 -41.8(15) . . . . ?
C50_21 C47_21 C48_21 F8_21 75.0(13) . . . . ?
C50_21 C47_21 C48_21 F9_21 -170.1(15) . . . . ?
C50_21 C47_21 C49_21 F10_21 75.9(15) . . . . ?
C50_21 C47_21 C49_21 F11_21 -163.1(12) . . . . ?
C50_21 C47_21 C49_21 F12_21 -41.4(14) . . . . ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.870
_oxdiff_exptl_absorpt_empirical_full_min 0.804
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Fluorobenzene layered with n-hexane'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_rdpm356_hklf5
_database_code_depnum_ccdc_archive 'CCDC 2365783'
loop_
_audit_author_name
_audit_author_address
'George F. S. Whitehead'
;University of Manchester
United Kingdom
;
_audit_update_record             
;
2024-06-26 deposited with the CCDC.	2024-11-28 downloaded from the CCDC.
;
_manchester_internal_diff_code   rdpm356
_manchester_internal_coll_client SCC
_manchester_internal_coll_date   16/05/22
_manchester_internal_process_date 17/05/23
_manchester_internal_process_user SCC
_manchester_internal_solution_date 17/05/23
_manchester_internal_solution_user SCC
_manchester_internal_refinement_date 17/05/23
_manchester_internal_refinement_user SCC
_manchester_internal_validation_date 06/06/24
_manchester_internal_validation_user SCC
_manchester_internal_archive_date ?
_manchester_internal_archive_user ?
_refine_special_details          
;
The chemically equivalent B-H and 1,3 H-H distances within all borohydride groups were restrained
to be approximately equal.
The lattice toluene groups and the Cp* at Dy3 are disordered over two orientations; the occupancies
were allowed to freely refine and linked to FVAR2, converging at a final ratio of 56:44.
The SAME command was applied to part 2 of the disordered components to restrain bond parameters 
to be approximately equal to part 1.
The C74-C69 and C74-C73 bond distances were restrained to be approximately equal.
The toluene at C61A was restrained to be approximately planar.
Enhanced rigid bond and similarity thermal restraints were applied to all non-H atoms to aid
refinement.
Refined as a 2-component perfect twin.
;
_audit_creation_date             2024-06-06
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        '[Dy(Cp*)(BH4)2]'
_chemical_formula_moiety         '2(C30 H69 B6 Dy3), 2(C7 H8)'
_chemical_formula_sum            'C74 H154 B12 Dy6'
_chemical_formula_weight         2148.68
_chemical_melting_point          ?
_chemical_oxdiff_formula         DyBC
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.6166(3)
_cell_length_b                   16.3417(5)
_cell_length_c                   21.7358(5)
_cell_angle_alpha                90.725(2)
_cell_angle_beta                 110.278(2)
_cell_angle_gamma                117.066(3)
_cell_volume                     4536.0(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    21527
_cell_measurement_temperature    99.99(10)
_cell_measurement_theta_max      75.5710
_cell_measurement_theta_min      3.4000
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    26.167
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.891
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.573
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2108
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-9 9 6 0.0341
2 -9 8 0.0266
-10 4 5 0.0291
-5 -5 0 0.0396
-8 2 12 0.0332
1 7 -10 0.0200
3 -7 -10 0.0642
9 -4 2 0.0562
2 4 9 0.0433
9 -6 -9 0.0752

_exptl_crystal_size_max          0.115
_exptl_crystal_size_mid          0.106
_exptl_crystal_size_min          0.054
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-9.0157 9.0093 5.9906 0.0188 -0.0799 -1.0425
2.0179 -8.9944 7.9963 0.6176 0.6847 0.4219
-10.0035 4.0046 4.9982 -0.1756 0.4882 -0.8433
-4.9855 -5.0051 0.0100 -0.3591 0.9176 -0.0453
-8.0014 2.0131 11.9885 0.4491 0.5014 -0.7427
0.9851 6.9919 -9.9942 -0.6121 -0.7541 -0.1225
3.0156 -7.0157 -9.9814 -0.6572 0.4151 0.6659
9.0030 -3.9961 1.9929 0.6439 -0.4046 0.6760
1.9882 4.0147 8.9812 0.8464 -0.5640 -0.2197
9.0094 -6.0113 -8.9895 -0.2098 -0.2065 0.9453

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0769
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            18473
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.119
_diffrn_reflns_theta_min         2.213
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -26.00   0.00   1.00    2.00    --    5.00  57.00-180.00   26
  2  ω    -73.00 -11.00   1.00    2.00    --  -44.41 -57.00  60.00   62
  3  ω    -84.00  33.00   1.00    2.00    --  -44.41  38.00 -90.00  117
  4  ω    -23.00   6.00   1.00    2.00    --  -46.39  57.00  90.00   29
  5  ω    -78.00  -8.00   1.00    2.00    --  -46.39  57.00 -30.00   70
  6  ω   -136.00  22.00   1.00    2.00    --  -46.39   0.00  90.00  158
  7  ω      5.00  31.00   1.00    2.00    --  -46.39  57.00 -30.00   26
  8  ω    -61.00 -35.00   1.00    2.00    --  -46.39  57.00  90.00   26
  9  ω   -144.00 -96.00   1.00    9.00    -- -107.20  76.00  30.00   48
 10  ω   -195.00-169.00   1.00    9.00    -- -107.20 -19.00 -90.00   26
 11  ω   -105.00 -18.00   1.00    9.00    -- -107.20   0.00 -30.00   87
 12  ω    -80.00 -18.00   1.00    9.00    -- -107.20 -19.00 -90.00   62
 13  ω   -139.00 -97.00   1.00    9.00    -- -107.20  19.00-150.00   42
 14  ω   -148.00 -19.00   1.00    9.00    -- -107.20  76.00 -30.00  129
 15  ω    -68.00 -18.00   1.00    9.00    -- -107.20  76.00 -90.00   50
 16  ω   -146.00 -18.00   1.00    9.00    -- -107.20  76.00-180.00  128
 17  ω   -135.00 -84.00   1.00    9.00    -- -107.20  57.00  30.00   51
 18  ω   -139.00 -26.00   1.00    9.00    -- -107.20  76.00-120.00  113
 19  ω   -197.00-111.00   1.00    9.00    -- -107.20   0.00 -30.00   86
 20  ω   -140.00-100.00   1.00    9.00    -- -107.20  76.00 -60.00   40
 21  ω   -123.00 -97.00   1.00    9.00    -- -107.20  76.00 150.00   26
 22  ω   -134.00 -88.00   1.00    9.00    -- -107.20  76.00   0.00   46
 23  ω    -63.00 -18.00   1.00    9.00    -- -107.20  76.00   0.00   45
 24  ω   -146.00-120.00   1.00    9.00    -- -107.20  38.00  30.00   26
 25  ω   -111.00 -35.00   1.00    9.00    -- -107.20  38.00  30.00   76
 26  ω   -196.00-171.00   1.00    9.00    -- -107.20  19.00-150.00   25
 27  ω    -71.00 -45.00   1.00    9.00    -- -107.20  76.00  60.00   26
 28  ω    -90.00 -18.00   1.00    9.00    -- -107.20  19.00-150.00   72
 29  ω   -128.00 -92.00   1.00    9.00    -- -107.20  76.00  60.00   36
 30  ω   -144.00 -90.00   1.00    9.00    -- -107.20  76.00 120.00   54
 31  ω   -145.00-101.00   1.00    9.00    -- -107.20  76.00-150.00   44
 32  ω   -108.00 -77.00   1.00    9.00    -- -107.20 -76.00  30.00   31
 33  ω    -44.00 -19.00   1.00    9.00    -- -107.20  38.00-120.00   25
 34  ω   -193.00-167.00   1.00    9.00    -- -107.20 -76.00  30.00   26
 35  ω   -131.00 -95.00   1.00    9.00    -- -107.20 -57.00  60.00   36
 36  ω    -97.00 -23.00   1.00    9.00    -- -107.20  38.00 -90.00   74
 37  ω   -182.00-153.00   1.00    9.00    -- -107.20 -57.00-180.00   29
 38  ω   -146.00-121.00   1.00    9.00    -- -107.20 -57.00-180.00   25
 39  ω    -82.00 -40.00   1.00    9.00    -- -107.20  76.00 120.00   42
 40  ω   -167.00-126.00   1.00    9.00    -- -107.20 -57.00 150.00   41
 41  ω   -137.00 -82.00   1.00    9.00    -- -107.20  38.00-120.00   55
 42  ω   -107.00 -81.00   1.00    9.00    -- -107.20 -76.00-120.00   26
 43  ω    -80.00 -34.00   1.00    9.00    -- -107.20  76.00  30.00   46
 44  ω   -145.00 -32.00   1.00    9.00    -- -107.20  76.00  90.00  113
 45  ω   -130.00-115.00   1.00    9.00    -- -107.20  76.00 -90.00   15
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC11 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0601213000
_diffrn_orient_matrix_UB_12      0.0120035000
_diffrn_orient_matrix_UB_13      0.0755709000
_diffrn_orient_matrix_UB_21      -0.0875189000
_diffrn_orient_matrix_UB_22      -0.0961532000
_diffrn_orient_matrix_UB_23      -0.0004416000
_diffrn_orient_matrix_UB_31      0.0572492000
_diffrn_orient_matrix_UB_32      -0.0480019000
_diffrn_orient_matrix_UB_33      -0.0156810000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type              'Rigaku (Cu) X-ray DW Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15021
_reflns_number_total             18473
_reflns_odcompleteness_completeness 98.34
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     74.33
_reflns_special_details          
;
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.914
_refine_diff_density_min         -2.080
_refine_diff_density_rms         0.195
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1205
_refine_ls_number_reflns         18473
_refine_ls_number_restraints     5868
_refine_ls_R_factor_all          0.0660
_refine_ls_R_factor_gt           0.0532
_refine_ls_restrained_S_all      0.894
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0737P)²+27.8478P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1447
_refine_ls_wR_factor_ref         0.1525
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All B(H,H,H,H) groups, All C(H,H,H) groups
2. Restrained distances
 C74-C69 \\sim C74-C73
 with sigma of 0.02
 B1-H1B \\sim B1-H1A \\sim B1-H1D \\sim B1-H1C \\sim B2-H2C \\sim B2-H2D \\sim
B2-H2A \\sim B2-H2B \\sim B3-
 H3A \\sim B3-H3B \\sim B3-H3D \\sim B3-H3C \\sim B4-H4A \\sim B4-H4D \\sim
B4-H4C \\sim B4-H4B \\sim B5-H5D ~
 B5-H5A \\sim B5-H5B \\sim B5-H5C \\sim B6-H6F \\sim B6-H6G \\sim B6-H6E \\sim
B6-H6D \\sim B7_$1-H7D_$1 ~
 B7_$1-H7G_$1 \\sim B7_$1-H7F_$1 \\sim B7_$1-H7E_$1 \\sim B8_$1-H8G_$1 \\sim
B8_$1-H8E_$1 ~
 B8_$1-H8D_$1 \\sim B8_$1-H8F_$1 \\sim B9_$1-H9D_$1 \\sim B9_$1-H9E_$1 \\sim
B9_$1-H9F_$1 ~
 B9_$1-H9G_$1 \\sim B10_$1-H10E_$1 \\sim B10_$1-H10F_$1 \\sim B10_$1-H10G_$1
\\sim B10_$1-
 H10D_$1 \\sim B11_$2-H11C_$2 \\sim B11_$2-H11B_$2 \\sim B11_$2-H11D_$2 \\sim
B11_$2-H11A_$2 ~
 B12_$1-H12A_$1 \\sim B12_$1-H12D_$1 \\sim B12_$1-H12B_$1 \\sim B12_$1-H12C_$1
 with sigma of 0.02
 H1D-H1A \\sim H1C-H1A \\sim H1D-H1C \\sim H1C-H1B \\sim H1D-H1B \\sim H1B-H1A
\\sim H2C-H2A \\sim H2B-H2A
 \\sim H2D-H2A \\sim H2D-H2C \\sim H2C-H2B \\sim H2D-H2B \\sim H3B-H3A \\sim
H3D-H3A \\sim H3D-H3B \\sim H3D-
 H3C \\sim H3C-H3B \\sim H3C-H3A \\sim H4D-H4C \\sim H4D-H4A \\sim H4C-H4A
\\sim H4C-H4B \\sim H4B-H4A ~
 H4D-H4B \\sim H5C-H5A \\sim H5B-H5A \\sim H5D-H5A \\sim H5D-H5B \\sim H5C-H5B
\\sim H5D-H5C \\sim H6G-H6F
 \\sim H6G-H6E \\sim H6F-H6E \\sim H6E-H6D \\sim H6F-H6D \\sim H6G-H6D \\sim
H7F_$1-H7D_$1 \\sim H7F_$1-
 H7E_$1 \\sim H7G_$1-H7F_$1 \\sim H7G_$1-H7D_$1 \\sim H7G_$1-H7E_$1 \\sim
H7E_$1-H7D_$1 ~
 H8F_$1-H8E_$1 \\sim H8G_$1-H8E_$1 \\sim H8G_$1-H8F_$1 \\sim H8G_$1-H8D_$1
\\sim H8E_$1-H8D_$1
 \\sim H8F_$1-H8D_$1 \\sim H9E_$1-H9D_$1 \\sim H9G_$1-H9E_$1 \\sim
H9G_$1-H9D_$1 \\sim H9F_$1-
 H9D_$1 \\sim H9F_$1-H9E_$1 \\sim H9G_$1-H9F_$1 \\sim H10E_$1-H10D_$1 \\sim
H10F_$1-H10E_$1 ~
 H10F_$1-H10D_$1 \\sim H10G_$1-H10D_$1 \\sim H10G_$1-H10F_$1 \\sim
H10G_$1-H10E_$1 ~
 H11B_$2-H11A_$2 \\sim H11D_$2-H11B_$2 \\sim H11D_$2-H11A_$2 \\sim
H11D_$2-H11C_$2 ~
 H11C_$2-H11B_$2 \\sim H11C_$2-H11A_$2 \\sim H12D_$1-H12A_$1 \\sim
H12B_$1-H12A_$1 ~
 H12D_$1-H12B_$1 \\sim H12D_$1-H12C_$1 \\sim H12C_$1-H12B_$1 \\sim
H12C_$1-H12A_$1
 with sigma of 0.02
3. Restrained planarity
 C67A, C61A, C62A, C66A, C63A, C65A, C64A
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
Dy4 \\sim Dy5 \\sim Dy6 \\sim C31 \\sim C32 \\sim C33 \\sim C34 \\sim C35 \\sim
C36 \\sim C37 \\sim C38 \\sim C39 \\sim C40 \\sim C41 \\sim C42 \\sim C43 \\sim
C44 \\sim C45 \\sim C46 \\sim C47 \\sim C48 \\sim C49 \\sim C50 \\sim C51 \\sim
C52 \\sim C53 \\sim C54 \\sim C55 \\sim C56 \\sim C57 \\sim C58 \\sim C59 \\sim
C60 \\sim B7 \\sim B8 \\sim B9 \\sim B10 \\sim B11 \\sim B12: within 2A with
sigma of 0.04 and sigma for terminal atoms of 0.08
Dy1 \\sim Dy2 \\sim Dy3 \\sim C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6
\\sim C7 \\sim C8 \\sim C9 \\sim C10 \\sim C11 \\sim C12 \\sim C13 \\sim C14
\\sim C15 \\sim C16 \\sim C17 \\sim C18 \\sim C19 \\sim C20 \\sim C21 \\sim C22
\\sim C23 \\sim C24 \\sim C25 \\sim C26 \\sim C27 \\sim C28 \\sim C29 \\sim C30
\\sim C21A \\sim C22 \\sim C22A \\sim C23 \\sim C23A \\sim C24 \\sim C24A \\sim
C25 \\sim C25A \\sim C26 \\sim C26A \\sim C27 \\sim C27A \\sim C28 \\sim C28A
\\sim C29 \\sim C29A \\sim C30 \\sim C30A \\sim B1 \\sim B2 \\sim B3 \\sim B4
\\sim B5 \\sim B6: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08
C61 \\sim C62 \\sim C63 \\sim C64 \\sim C65 \\sim C66 \\sim C67 \\sim C61A
\\sim C62A \\sim C63A \\sim C64A \\sim C65A \\sim C66A \\sim C67A: within 2A
with sigma of 0.04 and sigma for terminal atoms of 0.08
C68 \\sim C69 \\sim C70 \\sim C71 \\sim C72 \\sim C73 \\sim C74 \\sim C68A
\\sim C69A \\sim C70A \\sim C71A \\sim C72A \\sim C73A \\sim C74A: within 2A
with sigma of 0.02 and sigma for terminal atoms of 0.04
5. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Same fragment restrains
{C1, C2, C3, C4, C5, C6, C7, C8, C9, C10} sigma for 1-2: 0.02, 1-3: 0.04
as
{C21, C22, C23, C24, C25, C26, C27, C28, C29, C30}
{C1, C2, C3, C4, C5, C6, C7, C8, C9, C10} sigma for 1-2: 0.02, 1-3: 0.04
as
{C21A, C22A, C23A, C24A, C25A, C26A, C27A, C28A, C29A, C30A}
{C61, C62, C63, C64, C65, C66, C67} sigma for 1-2: 0.02, 1-3: 0.04
as
{C61A, C62A, C63A, C64A, C65A, C66A, C67A}
{C68, C69, C70, C71, C72, C73, C74} sigma for 1-2: 0.02, 1-3: 0.04
as
{C68A, C69A, C70A, C71A, C72A, C73A, C74A}
7. Others
 Sof(C21A)=Sof(C22A)=Sof(C23A)=Sof(C24A)=Sof(C25A)=Sof(C26A)=Sof(H26D)=
 Sof(H26E)=Sof(H26F)=Sof(C27A)=Sof(H27D)=Sof(H27E)=Sof(H27F)=Sof(C28A)=
 Sof(H28D)=Sof(H28E)=Sof(H28F)=Sof(C29A)=Sof(H29D)=Sof(H29E)=Sof(H29F)=
 Sof(C30A)=Sof(H30D)=Sof(H30E)=Sof(H30F)=Sof(C61A)=Sof(C62A)=Sof(H62A)=
 Sof(C63A)=Sof(H63A)=Sof(C64A)=Sof(H64A)=Sof(C65A)=Sof(H65A)=Sof(C66A)=
 Sof(H66A)=Sof(C67A)=Sof(H67D)=Sof(H67E)=Sof(H67F)=Sof(C68A)=Sof(C69A)=
 Sof(H69A)=Sof(C70A)=Sof(H70A)=Sof(C71A)=Sof(H71A)=Sof(C72A)=Sof(H72A)=
 Sof(C73A)=Sof(H73A)=Sof(C74A)=Sof(H74D)=Sof(H74E)=Sof(H74F)=1-FVAR(1)
 Sof(C21)=Sof(C22)=Sof(C23)=Sof(C24)=Sof(C25)=Sof(C26)=Sof(H26A)=Sof(H26B)=
 Sof(H26C)=Sof(C27)=Sof(H27A)=Sof(H27B)=Sof(H27C)=Sof(C28)=Sof(H28A)=Sof(H28B)=
 Sof(H28C)=Sof(C29)=Sof(H29A)=Sof(H29B)=Sof(H29C)=Sof(C30)=Sof(H30A)=Sof(H30B)=
 Sof(H30C)=Sof(C61)=Sof(C62)=Sof(H62)=Sof(C63)=Sof(H63)=Sof(C64)=Sof(H64)=
 Sof(C65)=Sof(H65)=Sof(C66)=Sof(H66)=Sof(C67)=Sof(H67A)=Sof(H67B)=Sof(H67C)=
 Sof(C68)=Sof(C69)=Sof(H69)=Sof(C70)=Sof(H70)=Sof(C71)=Sof(H71)=Sof(C72)=
 Sof(H72)=Sof(C73)=Sof(H73)=Sof(C74)=Sof(H74A)=Sof(H74B)=Sof(H74C)=FVAR(1)
8.a Aromatic/amide H refined with riding coordinates:
 C62(H62), C63(H63), C64(H64), C65(H65), C66(H66), C62A(H62A), C63A(H63A),
 C64A(H64A), C65A(H65A), C66A(H66A), C69(H69), C70(H70), C71(H71), C72(H72),
 C73(H73), C69A(H69A), C70A(H70A), C71A(H71A), C72A(H72A), C73A(H73A)
8.b Fitted hexagon refined as free rotating group:
 C61(C62,C63,C64,C65,C66), C68(C69,C70,C71,C72,C73)
8.c Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,
 H10B,H10C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C),
 C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C26(H26A,H26B,H26C), C27(H27A,H27B,
 H27C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C30(H30A,H30B,H30C),
 C26A(H26D,H26E,H26F), C27A(H27D,H27E,H27F), C28A(H28D,H28E,H28F), C29A(H29D,
 H29E,H29F), C30A(H30D,H30E,H30F), C36(H36A,H36B,H36C), C37(H37A,H37B,H37C),
 C38(H38A,H38B,H38C), C39(H39A,H39B,H39C), C40(H40A,H40B,H40C), C46(H46A,H46B,
 H46C), C47(H47A,H47B,H47C), C48(H48A,H48B,H48C), C49(H49A,H49B,H49C), C50(H50A,
 H50B,H50C), C56(H56A,H56B,H56C), C57(H57A,H57B,H57C), C58(H58A,H58B,H58C),
 C59(H59A,H59B,H59C), C60(H60A,H60B,H60C), C67(H67A,H67B,H67C), C67A(H67D,H67E,
 H67F), C74(H74A,H74B,H74C), C74A(H74D,H74E,H74F)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   diffmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.66078(3) 1.25565(3) 0.54597(2) 0.02120(10) Uani 1 1 d . U . . .
Dy2 Dy 0.56874(3) 0.98679(3) 0.67441(2) 0.02117(10) Uani 1 1 d . U . . .
Dy3 Dy 0.27832(3) 1.02037(3) 0.49619(2) 0.02423(11) Uani 1 1 d . U . . .
C1 C 0.6999(6) 1.4251(6) 0.5879(4) 0.0306(15) Uani 1 1 d D U . . .
C2 C 0.7914(6) 1.4205(6) 0.6249(4) 0.0315(16) Uani 1 1 d D U . . .
C3 C 0.8368(6) 1.4139(5) 0.5798(4) 0.0299(15) Uani 1 1 d D U . . .
C4 C 0.7728(6) 1.4132(5) 0.5157(4) 0.0313(15) Uani 1 1 d D U . . .
C5 C 0.6881(6) 1.4205(6) 0.5197(4) 0.0333(16) Uani 1 1 d D U . . .
C6 C 0.6352(9) 1.4440(7) 0.6171(6) 0.054(3) Uani 1 1 d D U . . .
H6A H 0.634541 1.414993 0.656275 0.082 Uiso 1 1 calc GR . . . .
H6B H 0.563421 1.417371 0.583485 0.082 Uiso 1 1 calc GR . . . .
H6C H 0.665290 1.511862 0.630700 0.082 Uiso 1 1 calc GR . . . .
C7 C 0.8423(8) 1.4346(6) 0.7000(4) 0.047(2) Uani 1 1 d D U . . .
H7A H 0.866149 1.388643 0.711260 0.070 Uiso 1 1 calc GR . . . .
H7B H 0.791461 1.426264 0.719341 0.070 Uiso 1 1 calc GR . . . .
H7C H 0.902324 1.498197 0.718099 0.070 Uiso 1 1 calc GR . . . .
C8 C 0.9414(7) 1.4172(7) 0.5998(7) 0.056(3) Uani 1 1 d D U . . .
H8A H 0.939740 1.379522 0.563537 0.084 Uiso 1 1 calc GR . . . .
H8B H 0.955666 1.391973 0.640536 0.084 Uiso 1 1 calc GR . . . .
H8C H 0.996669 1.482385 0.608278 0.084 Uiso 1 1 calc GR . . . .
C9 C 0.7976(9) 1.4167(7) 0.4536(5) 0.054(3) Uani 1 1 d D U . . .
H9A H 0.736702 1.407124 0.414215 0.080 Uiso 1 1 calc GR . . . .
H9B H 0.814674 1.367122 0.447641 0.080 Uiso 1 1 calc GR . . . .
H9C H 0.857567 1.477976 0.459091 0.080 Uiso 1 1 calc GR . . . .
C10 C 0.6064(8) 1.4325(7) 0.4647(5) 0.050(3) Uani 1 1 d D U . . .
H10A H 0.537674 1.393473 0.466207 0.075 Uiso 1 1 calc GR . . . .
H10B H 0.604497 1.413184 0.421172 0.075 Uiso 1 1 calc GR . . . .
H10C H 0.623723 1.498474 0.470994 0.075 Uiso 1 1 calc GR . . . .
C11 C 0.5663(6) 0.8772(5) 0.7639(4) 0.0258(14) Uani 1 1 d . U . . .
C12 C 0.5213(6) 0.9308(5) 0.7762(4) 0.0265(14) Uani 1 1 d . U . . .
C13 C 0.6016(7) 1.0264(5) 0.7984(4) 0.0278(15) Uani 1 1 d . U . . .
C14 C 0.6944(7) 1.0312(6) 0.7992(4) 0.0322(16) Uani 1 1 d . U . . .
C15 C 0.6723(6) 0.9384(6) 0.7784(4) 0.0303(15) Uani 1 1 d . U . . .
C16 C 0.5111(9) 0.7709(6) 0.7460(5) 0.045(2) Uani 1 1 d . U . . .
H16A H 0.436743 0.746869 0.718014 0.067 Uiso 1 1 calc GR . . . .
H16B H 0.517917 0.745821 0.787056 0.067 Uiso 1 1 calc GR . . . .
H16C H 0.542804 0.751401 0.721258 0.067 Uiso 1 1 calc GR . . . .
C17 C 0.4117(7) 0.8911(7) 0.7728(5) 0.040(2) Uani 1 1 d . U . . .
H17A H 0.395285 0.942025 0.774977 0.059 Uiso 1 1 calc GR . . . .
H17B H 0.405948 0.860052 0.810583 0.059 Uiso 1 1 calc GR . . . .
H17C H 0.362290 0.845470 0.730646 0.059 Uiso 1 1 calc GR . . . .
C18 C 0.5916(10) 1.1073(6) 0.8232(5) 0.048(3) Uani 1 1 d . U . . .
H18A H 0.639324 1.165386 0.814007 0.072 Uiso 1 1 calc GR . . . .
H18B H 0.609522 1.114066 0.871581 0.072 Uiso 1 1 calc GR . . . .
H18C H 0.519418 1.094922 0.800152 0.072 Uiso 1 1 calc GR . . . .
C19 C 0.8024(8) 1.1161(8) 0.8258(5) 0.056(3) Uani 1 1 d . U . . .
H19A H 0.838378 1.115905 0.796780 0.084 Uiso 1 1 calc GR . . . .
H19B H 0.842472 1.114382 0.871330 0.084 Uiso 1 1 calc GR . . . .
H19C H 0.796440 1.173276 0.826478 0.084 Uiso 1 1 calc GR . . . .
C20 C 0.7488(9) 0.9072(9) 0.7764(5) 0.052(3) Uani 1 1 d . U . . .
H20A H 0.718401 0.862810 0.734240 0.077 Uiso 1 1 calc GR . . . .
H20B H 0.763792 0.876645 0.814148 0.077 Uiso 1 1 calc GR . . . .
H20C H 0.813880 0.961930 0.779570 0.077 Uiso 1 1 calc GR . . . .
C21 C 0.1923(14) 1.1210(10) 0.5129(9) 0.044(4) Uani 0.557(9) 1 d D U P A 1
C22 C 0.1469(16) 1.0811(12) 0.4438(8) 0.041(4) Uani 0.557(9) 1 d D U P A 1
C23 C 0.0859(14) 0.9824(11) 0.4354(7) 0.041(4) Uani 0.557(9) 1 d D U P A 1
C24 C 0.0981(14) 0.9630(10) 0.4996(9) 0.042(3) Uani 0.557(9) 1 d D U P A 1
C25 C 0.1611(14) 1.0463(13) 0.5471(7) 0.043(3) Uani 0.557(9) 1 d D U P A 1
C26 C 0.2521(17) 1.2235(11) 0.5441(14) 0.074(7) Uani 0.557(9) 1 d D U P A 1
H26A H 0.297550 1.258103 0.521105 0.111 Uiso 0.557(9) 1 calc GR . P A 1
H26B H 0.295025 1.232760 0.591557 0.111 Uiso 0.557(9) 1 calc GR . P A 1
H26C H 0.202950 1.246709 0.540076 0.111 Uiso 0.557(9) 1 calc GR . P A 1
C27 C 0.1496(18) 1.1356(17) 0.3887(11) 0.068(6) Uani 0.557(9) 1 d D U P A 1
H27A H 0.120432 1.092679 0.345970 0.102 Uiso 0.557(9) 1 calc GR . P A 1
H27B H 0.222151 1.182872 0.398183 0.102 Uiso 0.557(9) 1 calc GR . P A 1
H27C H 0.107964 1.166755 0.385888 0.102 Uiso 0.557(9) 1 calc GR . P A 1
C28 C 0.0141(14) 0.9120(17) 0.3695(10) 0.070(7) Uani 0.557(9) 1 d D U P A 1
H28A H 0.022106 0.855938 0.372192 0.105 Uiso 0.557(9) 1 calc GR . P A 1
H28B H 0.032388 0.940172 0.333215 0.105 Uiso 0.557(9) 1 calc GR . P A 1
H28C H -0.058726 0.894516 0.360459 0.105 Uiso 0.557(9) 1 calc GR . P A 1
C29 C 0.0400(17) 0.8664(14) 0.5147(15) 0.076(6) Uani 0.557(9) 1 d D U P A 1
H29A H 0.084501 0.861548 0.557570 0.115 Uiso 0.557(9) 1 calc GR . P A 1
H29B H 0.022944 0.817519 0.478979 0.115 Uiso 0.557(9) 1 calc GR . P A 1
H29C H -0.024765 0.858280 0.517315 0.115 Uiso 0.557(9) 1 calc GR . P A 1
C30 C 0.1873(18) 1.057(2) 0.6214(8) 0.070(6) Uani 0.557(9) 1 d D U P A 1
H30A H 0.259157 1.108376 0.645711 0.105 Uiso 0.557(9) 1 calc GR . P A 1
H30B H 0.181016 0.998699 0.635346 0.105 Uiso 0.557(9) 1 calc GR . P A 1
H30C H 0.138735 1.071979 0.631532 0.105 Uiso 0.557(9) 1 calc GR . P A 1
C21A C 0.1735(14) 1.1119(11) 0.4692(9) 0.029(3) Uani 0.443(9) 1 d D U P A 2
C22A C 0.1028(17) 1.0258(14) 0.4233(8) 0.042(4) Uani 0.443(9) 1 d D U P A 2
C23A C 0.0749(15) 0.9530(11) 0.4596(10) 0.039(4) Uani 0.443(9) 1 d D U P A 2
C24A C 0.1223(17) 0.9943(12) 0.5274(9) 0.031(4) Uani 0.443(9) 1 d D U P A 2
C25A C 0.1829(14) 1.0916(11) 0.5342(8) 0.028(3) Uani 0.443(9) 1 d D U P A 2
C26A C 0.2138(18) 1.2073(14) 0.4522(15) 0.057(6) Uani 0.443(9) 1 d D U P A 2
H26D H 0.206495 1.201400 0.405522 0.085 Uiso 0.443(9) 1 calc GR . P A 2
H26E H 0.287799 1.246711 0.481756 0.085 Uiso 0.443(9) 1 calc GR . P A 2
H26F H 0.173488 1.236062 0.458289 0.085 Uiso 0.443(9) 1 calc GR . P A 2
C27A C 0.064(2) 1.014(2) 0.3484(8) 0.068(7) Uani 0.443(9) 1 d D U P A 2
H27D H 0.021483 0.946862 0.327871 0.101 Uiso 0.443(9) 1 calc GR . P A 2
H27E H 0.124221 1.042148 0.335541 0.101 Uiso 0.443(9) 1 calc GR . P A 2
H27F H 0.021930 1.044839 0.333068 0.101 Uiso 0.443(9) 1 calc GR . P A 2
C28A C -0.0038(15) 0.8498(13) 0.4288(17) 0.075(8) Uani 0.443(9) 1 d D U P A 2
H28D H 0.016589 0.810889 0.457889 0.113 Uiso 0.443(9) 1 calc GR . P A 2
H28E H -0.005062 0.834547 0.384624 0.113 Uiso 0.443(9) 1 calc GR . P A 2
H28F H -0.073579 0.837508 0.424009 0.113 Uiso 0.443(9) 1 calc GR . P A 2
C29A C 0.107(2) 0.945(2) 0.5849(13) 0.063(6) Uani 0.443(9) 1 d D U P A 2
H29D H 0.167608 0.982374 0.626799 0.095 Uiso 0.443(9) 1 calc GR . P A 2
H29E H 0.100322 0.882888 0.576034 0.095 Uiso 0.443(9) 1 calc GR . P A 2
H29F H 0.043476 0.937852 0.588764 0.095 Uiso 0.443(9) 1 calc GR . P A 2
C30A C 0.2392(17) 1.1657(16) 0.5974(10) 0.053(6) Uani 0.443(9) 1 d D U P A 2
H30D H 0.307985 1.212498 0.599315 0.080 Uiso 0.443(9) 1 calc GR . P A 2
H30E H 0.248262 1.136319 0.636435 0.080 Uiso 0.443(9) 1 calc GR . P A 2
H30F H 0.197933 1.196334 0.597351 0.080 Uiso 0.443(9) 1 calc GR . P A 2
B1 B 0.5584(8) 1.1779(7) 0.4076(5) 0.035(2) Uani 1 1 d D U . . .
H1A H 0.481(3) 1.166(5) 0.376(3) 0.052 Uiso 1 1 d DR . . . .
H1B H 0.592(5) 1.161(5) 0.377(3) 0.052 Uiso 1 1 d DR . . . .
H1C H 0.551(6) 1.133(4) 0.444(3) 0.052 Uiso 1 1 d DR . . . .
H1D H 0.608(5) 1.250(2) 0.433(3) 0.052 Uiso 1 1 d DR . . . .
B2 B 0.7683(8) 1.1709(7) 0.5347(5) 0.038(2) Uani 1 1 d D U . . .
H2A H 0.760(6) 1.213(5) 0.497(3) 0.056 Uiso 1 1 d DR . . . .
H2B H 0.693(3) 1.110(3) 0.524(4) 0.056 Uiso 1 1 d DR . . . .
H2C H 0.823(5) 1.149(5) 0.533(4) 0.056 Uiso 1 1 d DR . . . .
H2D H 0.797(6) 1.213(5) 0.5835(19) 0.056 Uiso 1 1 d DR . . . .
B3 B 0.4627(8) 1.1958(7) 0.5314(5) 0.0315(19) Uani 1 1 d D U . . .
H3A H 0.387(3) 1.184(5) 0.528(4) 0.047 Uiso 1 1 d DR . . . .
H3B H 0.457(5) 1.130(3) 0.515(3) 0.047 Uiso 1 1 d DR . . . .
H3C H 0.519(4) 1.226(5) 0.5827(15) 0.047 Uiso 1 1 d DR . . . .
H3D H 0.489(5) 1.244(4) 0.500(3) 0.047 Uiso 1 1 d DR . . . .
B4 B 0.3853(8) 1.0064(7) 0.6183(5) 0.0340(19) Uani 1 1 d D U . . .
H4A H 0.425(5) 0.998(5) 0.589(3) 0.051 Uiso 1 1 d DR . . . .
H4B H 0.417(5) 0.996(5) 0.6682(17) 0.051 Uiso 1 1 d DR . . . .
H4C H 0.303(2) 0.955(4) 0.594(3) 0.051 Uiso 1 1 d DR . . . .
H4D H 0.395(6) 1.076(2) 0.621(4) 0.051 Uiso 1 1 d DR . . . .
B5 B 0.7049(8) 0.9816(7) 0.6198(5) 0.037(2) Uani 1 1 d D U . . .
H5A H 0.708(6) 0.983(5) 0.6701(17) 0.056 Uiso 1 1 d DR . . . .
H5B H 0.640(4) 0.989(5) 0.588(3) 0.056 Uiso 1 1 d DR . . . .
H5C H 0.696(6) 0.915(3) 0.601(4) 0.056 Uiso 1 1 d DR . . . .
H5D H 0.777(3) 1.038(4) 0.620(4) 0.056 Uiso 1 1 d DR . . . .
B6 B 0.6624(8) 1.1696(8) 0.6623(5) 0.036(2) Uani 1 1 d D U . . .
H6D H 0.691(5) 1.242(2) 0.659(4) 0.054 Uiso 1 1 d DR . . . .
H6E H 0.607(4) 1.149(5) 0.686(3) 0.054 Uiso 1 1 d DR . . . .
H6F H 0.624(5) 1.126(4) 0.6127(18) 0.054 Uiso 1 1 d DR . . . .
H6G H 0.726(4) 1.158(5) 0.692(3) 0.054 Uiso 1 1 d DR . . . .
Dy4 Dy 0.59932(3) 1.49173(3) 0.87266(2) 0.02191(10) Uani 1 1 d . U . . .
Dy5 Dy 0.27022(3) 1.49052(3) 0.87297(2) 0.02103(10) Uani 1 1 d . U . . .
Dy6 Dy 0.36541(3) 1.24651(3) 0.97152(2) 0.02164(10) Uani 1 1 d . U . . .
C31 C 0.6657(8) 1.5565(7) 0.7787(5) 0.0399(18) Uani 1 1 d . U . . .
C32 C 0.7329(7) 1.5247(5) 0.8176(4) 0.0286(15) Uani 1 1 d . U . . .
C33 C 0.6745(6) 1.4256(5) 0.8077(4) 0.0250(14) Uani 1 1 d . U . . .
C34 C 0.5710(7) 1.3967(6) 0.7620(4) 0.0363(17) Uani 1 1 d . U . . .
C35 C 0.5646(8) 1.4776(8) 0.7436(4) 0.0421(19) Uani 1 1 d . U . . .
C36 C 0.6979(12) 1.6570(8) 0.7694(6) 0.061(3) Uani 1 1 d . U . . .
H36A H 0.766382 1.699744 0.804771 0.091 Uiso 1 1 calc GR . . . .
H36B H 0.645815 1.673236 0.771747 0.091 Uiso 1 1 calc GR . . . .
H36C H 0.702203 1.662607 0.725559 0.091 Uiso 1 1 calc GR . . . .
C37 C 0.8502(8) 1.5829(7) 0.8576(5) 0.048(2) Uani 1 1 d . U . . .
H37A H 0.872381 1.551474 0.892924 0.072 Uiso 1 1 calc GR . . . .
H37B H 0.867072 1.645064 0.877962 0.072 Uiso 1 1 calc GR . . . .
H37C H 0.886912 1.589831 0.827841 0.072 Uiso 1 1 calc GR . . . .
C38 C 0.7161(9) 1.3620(7) 0.8345(5) 0.044(2) Uani 1 1 d . U . . .
H38A H 0.671345 1.317925 0.854649 0.066 Uiso 1 1 calc GR . . . .
H38B H 0.787486 1.399116 0.868568 0.066 Uiso 1 1 calc GR . . . .
H38C H 0.716842 1.326882 0.797964 0.066 Uiso 1 1 calc GR . . . .
C39 C 0.4869(9) 1.2963(8) 0.7326(5) 0.064(4) Uani 1 1 d . U . . .
H39A H 0.420976 1.288143 0.733019 0.095 Uiso 1 1 calc GR . . . .
H39B H 0.507189 1.255237 0.759181 0.095 Uiso 1 1 calc GR . . . .
H39C H 0.477763 1.279961 0.686354 0.095 Uiso 1 1 calc GR . . . .
C40 C 0.4735(11) 1.4812(14) 0.6910(5) 0.088(5) Uani 1 1 d . U . . .
H40A H 0.473725 1.538987 0.703926 0.133 Uiso 1 1 calc GR . . . .
H40B H 0.407771 1.426761 0.687273 0.133 Uiso 1 1 calc GR . . . .
H40C H 0.479869 1.480099 0.647762 0.133 Uiso 1 1 calc GR . . . .
C41 C 0.1332(7) 1.5394(7) 0.8076(4) 0.0359(17) Uani 1 1 d . U . . .
C42 C 0.1733(6) 1.5257(6) 0.7610(4) 0.0293(15) Uani 1 1 d . U . . .
C43 C 0.1398(6) 1.4290(5) 0.7462(4) 0.0277(15) Uani 1 1 d . U . . .
C44 C 0.0775(6) 1.3829(6) 0.7819(4) 0.0374(17) Uani 1 1 d . U . . .
C45 C 0.0749(7) 1.4481(8) 0.8203(4) 0.0425(19) Uani 1 1 d . U . . .
C46 C 0.1400(10) 1.6301(9) 0.8316(6) 0.062(3) Uani 1 1 d . U . . .
H46A H 0.209983 1.682402 0.840809 0.093 Uiso 1 1 calc GR . . . .
H46B H 0.126770 1.626694 0.872686 0.093 Uiso 1 1 calc GR . . . .
H46C H 0.087475 1.639970 0.796990 0.093 Uiso 1 1 calc GR . . . .
C47 C 0.2326(7) 1.6011(7) 0.7295(5) 0.047(3) Uani 1 1 d . U . . .
H47A H 0.284187 1.588772 0.721717 0.071 Uiso 1 1 calc GR . . . .
H47B H 0.268590 1.662331 0.759557 0.071 Uiso 1 1 calc GR . . . .
H47C H 0.183547 1.601378 0.686722 0.071 Uiso 1 1 calc GR . . . .
C48 C 0.1572(9) 1.3826(8) 0.6950(5) 0.052(3) Uani 1 1 d . U . . .
H48A H 0.179989 1.338321 0.713940 0.078 Uiso 1 1 calc GR . . . .
H48B H 0.211118 1.430438 0.682465 0.078 Uiso 1 1 calc GR . . . .
H48C H 0.091660 1.348722 0.655164 0.078 Uiso 1 1 calc GR . . . .
C49 C 0.0174(8) 1.2769(7) 0.7723(6) 0.066(4) Uani 1 1 d . U . . .
H49A H -0.000158 1.260140 0.811134 0.099 Uiso 1 1 calc GR . . . .
H49B H 0.060746 1.250496 0.767967 0.099 Uiso 1 1 calc GR . . . .
H49C H -0.047055 1.251484 0.731690 0.099 Uiso 1 1 calc GR . . . .
C50 C 0.0094(9) 1.4278(13) 0.8615(6) 0.075(4) Uani 1 1 d . U . . .
H50A H 0.041959 1.482245 0.897694 0.113 Uiso 1 1 calc GR . . . .
H50B H 0.005072 1.372871 0.880804 0.113 Uiso 1 1 calc GR . . . .
H50C H -0.061144 1.415313 0.832837 0.113 Uiso 1 1 calc GR . . . .
C51 C 0.1882(7) 1.0855(6) 0.9268(5) 0.0392(18) Uani 1 1 d . U . . .
C52 C 0.2437(8) 1.0850(5) 0.8869(4) 0.0406(18) Uani 1 1 d . U . . .
C53 C 0.3334(8) 1.0817(6) 0.9281(5) 0.0392(18) Uani 1 1 d . U . . .
C54 C 0.3346(7) 1.0808(6) 0.9938(4) 0.0332(16) Uani 1 1 d . U . . .
C55 C 0.2448(7) 1.0842(6) 0.9923(4) 0.0333(16) Uani 1 1 d . U . . .
C56 C 0.0831(8) 1.0801(8) 0.9026(8) 0.066(3) Uani 1 1 d . U . . .
H56A H 0.067116 1.096315 0.858292 0.099 Uiso 1 1 calc GR . . . .
H56B H 0.083972 1.124182 0.934071 0.099 Uiso 1 1 calc GR . . . .
H56C H 0.029503 1.016137 0.899562 0.099 Uiso 1 1 calc GR . . . .
C57 C 0.2050(12) 1.0792(7) 0.8115(5) 0.076(5) Uani 1 1 d . U . . .
H57A H 0.262334 1.093330 0.797119 0.114 Uiso 1 1 calc GR . . . .
H57B H 0.180479 1.124816 0.800236 0.114 Uiso 1 1 calc GR . . . .
H57C H 0.147204 1.015836 0.788561 0.114 Uiso 1 1 calc GR . . . .
C58 C 0.4074(12) 1.0698(8) 0.9051(8) 0.070(4) Uani 1 1 d . U . . .
H58A H 0.478111 1.103011 0.940460 0.104 Uiso 1 1 calc GR . . . .
H58B H 0.407415 1.095695 0.864671 0.104 Uiso 1 1 calc GR . . . .
H58C H 0.385281 1.002908 0.895046 0.104 Uiso 1 1 calc GR . . . .
C59 C 0.4106(9) 1.0682(7) 1.0534(6) 0.055(3) Uani 1 1 d . U . . .
H59A H 0.417578 1.099915 1.094871 0.083 Uiso 1 1 calc GR . . . .
H59B H 0.479099 1.095376 1.050553 0.083 Uiso 1 1 calc GR . . . .
H59C H 0.384256 1.001132 1.053458 0.083 Uiso 1 1 calc GR . . . .
C60 C 0.2143(10) 1.0756(7) 1.0516(6) 0.056(3) Uani 1 1 d . U . . .
H60A H 0.169713 1.104072 1.047420 0.084 Uiso 1 1 calc GR . . . .
H60B H 0.277436 1.107974 1.092998 0.084 Uiso 1 1 calc GR . . . .
H60C H 0.175761 1.009121 1.052914 0.084 Uiso 1 1 calc GR . . . .
B7 B 0.4230(7) 1.4918(6) 0.8270(4) 0.0262(17) Uani 1 1 d D U . . .
H7D H 0.436(5) 1.493(5) 0.8790(13) 0.039 Uiso 1 1 d DR . . . .
H7E H 0.350(3) 1.491(5) 0.800(3) 0.039 Uiso 1 1 d DR . . . .
H7F H 0.420(5) 1.430(3) 0.806(3) 0.039 Uiso 1 1 d DR . . . .
H7G H 0.486(4) 1.554(3) 0.822(3) 0.039 Uiso 1 1 d DR . . . .
B8 B 0.2663(8) 1.4989(6) 1.0076(4) 0.0300(19) Uani 1 1 d D U . . .
H8D H 0.207(4) 1.489(5) 0.9598(18) 0.045 Uiso 1 1 d DR . . . .
H8E H 0.237(5) 1.440(3) 1.031(3) 0.045 Uiso 1 1 d DR . . . .
H8F H 0.334(3) 1.504(5) 1.000(3) 0.045 Uiso 1 1 d DR . . . .
H8G H 0.289(5) 1.562(3) 1.040(3) 0.045 Uiso 1 1 d DR . . . .
B9 B 0.2500(7) 1.3273(6) 0.8917(4) 0.0279(18) Uani 1 1 d D U . . .
H9D H 0.330(2) 1.370(4) 0.927(3) 0.042 Uiso 1 1 d DR . . . .
H9E H 0.244(5) 1.344(5) 0.8429(17) 0.042 Uiso 1 1 d DR . . . .
H9F H 0.199(4) 1.341(5) 0.907(3) 0.042 Uiso 1 1 d DR . . . .
H9G H 0.228(5) 1.2538(19) 0.889(3) 0.042 Uiso 1 1 d DR . . . .
B10 B 0.4185(7) 1.6666(7) 0.9247(4) 0.0306(19) Uani 1 1 d D U . . .
H10D H 0.401(5) 1.650(5) 0.8720(13) 0.046 Uiso 1 1 d DR . . . .
H10E H 0.346(3) 1.649(5) 0.931(3) 0.046 Uiso 1 1 d DR . . . .
H10F H 0.451(5) 1.625(4) 0.951(3) 0.046 Uiso 1 1 d DR . . . .
H10G H 0.473(4) 1.7400(18) 0.944(3) 0.046 Uiso 1 1 d DR . . . .
B11 B 0.4724(7) 1.3108(6) 0.8974(5) 0.0307(19) Uani 1 1 d D U . . .
H11A H 0.3884(18) 1.270(4) 0.870(3) 0.046 Uiso 1 1 d DR . . . .
H11B H 0.493(5) 1.379(3) 0.922(3) 0.046 Uiso 1 1 d DR . . . .
H11C H 0.510(5) 1.320(5) 0.863(3) 0.046 Uiso 1 1 d DR . . . .
H11D H 0.499(5) 1.275(4) 0.934(3) 0.046 Uiso 1 1 d DR . . . .
B12 B 0.3311(7) 1.3173(6) 1.0639(4) 0.0306(19) Uani 1 1 d D U . . .
H12A H 0.255(3) 1.276(4) 1.023(2) 0.046 Uiso 1 1 d DR . . . .
H12B H 0.380(5) 1.376(3) 1.047(3) 0.046 Uiso 1 1 d DR . . . .
H12C H 0.321(5) 1.342(5) 1.106(2) 0.046 Uiso 1 1 d DR . . . .
H12D H 0.368(5) 1.275(4) 1.079(3) 0.046 Uiso 1 1 d DR . . . .
C61 C 0.9364(19) 1.1908(16) 1.0259(14) 0.060(5) Uani 0.557(9) 1 d D U P A 1
C62 C 0.847(2) 1.1507(16) 1.0394(15) 0.059(5) Uani 0.557(9) 1 d DG U P A 1
H62 H 0.830346 1.096848 1.058963 0.070 Uiso 0.557(9) 1 calc R . P A 1
C63 C 0.7808(19) 1.1895(17) 1.0242(14) 0.062(5) Uani 0.557(9) 1 d DG U P A 1
H63 H 0.719426 1.162109 1.033355 0.075 Uiso 0.557(9) 1 calc R . P A 1
C64 C 0.8046(19) 1.2684(18) 0.9955(13) 0.062(5) Uani 0.557(9) 1 d DG U P A 1
H64 H 0.759557 1.294847 0.985077 0.075 Uiso 0.557(9) 1 calc R . P A 1
C65 C 0.8943(19) 1.3084(16) 0.9820(12) 0.069(6) Uani 0.557(9) 1 d DG U P A 1
H65 H 0.910608 1.362324 0.962405 0.082 Uiso 0.557(9) 1 calc R . P A 1
C66 C 0.9602(16) 1.2697(16) 0.9972(12) 0.069(6) Uani 0.557(9) 1 d DG U P A 1
H66 H 1.021529 1.297064 0.988011 0.083 Uiso 0.557(9) 1 calc R . P A 1
C67 C 1.0042(16) 1.1678(14) 1.0429(12) 0.060(5) Uani 0.557(9) 1 d D U P A 1
H67A H 1.027446 1.168500 1.091107 0.090 Uiso 0.557(9) 1 calc GR . P A 1
H67B H 1.063705 1.212005 1.033193 0.090 Uiso 0.557(9) 1 calc GR . P A 1
H67C H 0.975719 1.104441 1.018195 0.090 Uiso 0.557(9) 1 calc GR . P A 1
C61A C 0.767(2) 1.198(2) 1.0289(16) 0.067(7) Uani 0.443(9) 1 d D U P A 2
C62A C 0.775(3) 1.271(3) 0.997(2) 0.066(6) Uani 0.443(9) 1 d D U P A 2
H62A H 0.722450 1.289489 0.984916 0.079 Uiso 0.443(9) 1 calc R . P A 2
C63A C 0.862(3) 1.318(3) 0.982(2) 0.071(7) Uani 0.443(9) 1 d D U P A 2
H63A H 0.873912 1.372482 0.963591 0.085 Uiso 0.443(9) 1 calc R . P A 2
C64A C 0.933(2) 1.286(2) 0.9941(16) 0.054(6) Uani 0.443(9) 1 d D U P A 2
H64A H 0.989493 1.315158 0.979826 0.065 Uiso 0.443(9) 1 calc R . P A 2
C65A C 0.925(3) 1.212(2) 1.0261(18) 0.051(6) Uani 0.443(9) 1 d D U P A 2
H65A H 0.976778 1.192769 1.036162 0.061 Uiso 0.443(9) 1 calc R . P A 2
C66A C 0.840(3) 1.166(2) 1.043(2) 0.057(6) Uani 0.443(9) 1 d D U P A 2
H66A H 0.830631 1.113917 1.064658 0.068 Uiso 0.443(9) 1 calc R . P A 2
C67A C 0.697(3) 1.154(2) 1.047(2) 0.102(10) Uani 0.443(9) 1 d D U P A 2
H67D H 0.655090 1.184703 1.042311 0.152 Uiso 0.443(9) 1 calc GR . P A 2
H67E H 0.727064 1.150222 1.094029 0.152 Uiso 0.443(9) 1 calc GR . P A 2
H67F H 0.652945 1.090110 1.019369 0.152 Uiso 0.443(9) 1 calc GR . P A 2
C68 C 0.0208(14) 0.7673(13) 0.7214(10) 0.088(5) Uani 0.557(9) 1 d D U P A 1
C69 C -0.0709(12) 0.6929(14) 0.6749(11) 0.081(6) Uani 0.557(9) 1 d DG U P A 1
H69 H -0.134248 0.669686 0.681610 0.097 Uiso 0.557(9) 1 calc R . P A 1
C70 C -0.0701(14) 0.6523(13) 0.6187(10) 0.087(6) Uani 0.557(9) 1 d DG U P A 1
H70 H -0.132768 0.601415 0.586966 0.104 Uiso 0.557(9) 1 calc R . P A 1
C71 C 0.0226(17) 0.6862(14) 0.6089(10) 0.086(6) Uani 0.557(9) 1 d DG U P A 1
H71 H 0.023186 0.658475 0.570490 0.103 Uiso 0.557(9) 1 calc R . P A 1
C72 C 0.1143(14) 0.7606(15) 0.6553(11) 0.086(6) Uani 0.557(9) 1 d DG U P A 1
H72 H 0.177661 0.783806 0.648659 0.103 Uiso 0.557(9) 1 calc R . P A 1
C73 C 0.1135(12) 0.8012(14) 0.7116(10) 0.088(6) Uani 0.557(9) 1 d DG U P A 1
H73 H 0.176182 0.852078 0.743304 0.105 Uiso 0.557(9) 1 calc R . P A 1
C74 C 0.021(2) 0.810(2) 0.7828(16) 0.110(9) Uani 0.557(9) 1 d D U P A 1
H74A H -0.043886 0.768255 0.788528 0.165 Uiso 0.557(9) 1 calc GR . P A 1
H74B H 0.024457 0.870936 0.777825 0.165 Uiso 0.557(9) 1 calc GR . P A 1
H74C H 0.081245 0.818656 0.822093 0.165 Uiso 0.557(9) 1 calc GR . P A 1
C68A C 0.019(2) 0.706(2) 0.6387(14) 0.075(6) Uani 0.443(9) 1 d D U P A 2
C69A C 0.106(2) 0.780(2) 0.6882(16) 0.081(6) Uani 0.443(9) 1 d D U P A 2
H69A H 0.171677 0.807656 0.684591 0.098 Uiso 0.443(9) 1 calc R . P A 2
C70A C 0.096(2) 0.813(2) 0.7432(16) 0.088(7) Uani 0.443(9) 1 d D U P A 2
H70A H 0.152450 0.869536 0.773613 0.106 Uiso 0.443(9) 1 calc R . P A 2
C71A C 0.004(2) 0.766(2) 0.7544(16) 0.081(6) Uani 0.443(9) 1 d D U P A 2
H71A H 0.000705 0.783309 0.794919 0.097 Uiso 0.443(9) 1 calc R . P A 2
C72A C -0.082(2) 0.692(2) 0.7045(15) 0.073(6) Uani 0.443(9) 1 d D U P A 2
H72A H -0.146618 0.660211 0.709634 0.088 Uiso 0.443(9) 1 calc R . P A 2
C73A C -0.074(2) 0.664(2) 0.6476(15) 0.073(6) Uani 0.443(9) 1 d D U P A 2
H73A H -0.134380 0.613543 0.613593 0.087 Uiso 0.443(9) 1 calc R . P A 2
C74A C 0.017(3) 0.678(2) 0.5724(18) 0.085(8) Uani 0.443(9) 1 d D U P A 2
H74D H 0.087744 0.690411 0.578185 0.128 Uiso 0.443(9) 1 calc GR . P A 2
H74E H -0.004269 0.713545 0.540778 0.128 Uiso 0.443(9) 1 calc GR . P A 2
H74F H -0.031922 0.610485 0.554938 0.128 Uiso 0.443(9) 1 calc GR . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 C1 2.623(8) . ?
Dy1 C2 2.612(8) . ?
Dy1 C3 2.621(8) . ?
Dy1 C4 2.619(8) . ?
Dy1 C5 2.632(8) . ?
Dy1 H1C 2.46(7) . ?
Dy1 H1D 2.28(7) . ?
Dy1 H2A 2.47(8) . ?
Dy1 H2D 2.43(8) . ?
Dy1 H3C 2.46(7) . ?
Dy1 H3D 2.43(7) . ?
Dy1 B6 2.907(10) . ?
Dy1 H6D 2.37(7) . ?
Dy1 H6F 2.54(7) . ?
Dy2 C11 2.658(7) . ?
Dy2 C12 2.618(7) . ?
Dy2 C13 2.576(7) . ?
Dy2 C14 2.588(8) . ?
Dy2 C15 2.651(8) . ?
Dy2 B1 2.632(11) 2_676 ?
Dy2 B4 2.867(11) . ?
Dy2 H4A 2.44(7) . ?
Dy2 H4B 2.40(7) . ?
Dy2 H5A 2.23(7) . ?
Dy2 H5B 2.48(8) . ?
Dy2 H6E 2.43(8) . ?
Dy3 C21 2.641(18) . ?
Dy3 C22 2.60(2) . ?
Dy3 C23 2.586(19) . ?
Dy3 C24 2.559(19) . ?
Dy3 C25 2.618(16) . ?
Dy3 C21A 2.618(19) . ?
Dy3 C22A 2.69(2) . ?
Dy3 C23A 2.64(2) . ?
Dy3 C24A 2.60(2) . ?
Dy3 C25A 2.580(19) . ?
Dy3 H3A 2.35(7) . ?
Dy3 H3B 2.41(7) . ?
Dy3 B4 2.679(10) . ?
Dy3 H4C 2.39(7) . ?
Dy3 H4D 2.55(7) . ?
Dy3 B5 2.625(11) 2_676 ?
C1 C2 1.413(11) . ?
C1 C5 1.427(10) . ?
C1 C6 1.497(11) . ?
C2 C3 1.423(11) . ?
C2 C7 1.507(10) . ?
C3 C4 1.402(11) . ?
C3 C8 1.512(12) . ?
C4 C5 1.411(12) . ?
C4 C9 1.523(10) . ?
C5 C10 1.507(11) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.420(12) . ?
C11 C15 1.402(12) . ?
C11 C16 1.516(11) . ?
C12 C13 1.424(10) . ?
C12 C17 1.502(12) . ?
C13 C14 1.409(13) . ?
C13 C18 1.515(12) . ?
C14 C15 1.422(12) . ?
C14 C19 1.510(12) . ?
C15 C20 1.509(13) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.413(17) . ?
C21 C25 1.420(17) . ?
C21 C26 1.499(16) . ?
C22 C23 1.419(17) . ?
C22 C27 1.504(16) . ?
C23 C24 1.402(17) . ?
C23 C28 1.518(16) . ?
C24 C25 1.388(17) . ?
C24 C29 1.530(16) . ?
C25 C30 1.509(16) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C21A C22A 1.408(18) . ?
C21A C25A 1.427(17) . ?
C21A C26A 1.498(16) . ?
C22A C23A 1.421(18) . ?
C22A C27A 1.502(17) . ?
C23A C24A 1.393(18) . ?
C23A C28A 1.522(17) . ?
C24A C25A 1.404(17) . ?
C24A C29A 1.525(16) . ?
C25A C30A 1.510(17) . ?
C26A H26D 0.9800 . ?
C26A H26E 0.9800 . ?
C26A H26F 0.9800 . ?
C27A H27D 0.9800 . ?
C27A H27E 0.9800 . ?
C27A H27F 0.9800 . ?
C28A H28D 0.9800 . ?
C28A H28E 0.9800 . ?
C28A H28F 0.9800 . ?
C29A H29D 0.9800 . ?
C29A H29E 0.9800 . ?
C29A H29F 0.9800 . ?
C30A H30D 0.9800 . ?
C30A H30E 0.9800 . ?
C30A H30F 0.9800 . ?
B1 H1A 1.08(2) . ?
B1 H1B 1.08(2) . ?
B1 H1C 1.08(2) . ?
B1 H1D 1.08(2) . ?
B2 H2A 1.09(2) . ?
B2 H2B 1.08(2) . ?
B2 H2C 1.08(2) . ?
B2 H2D 1.078(19) . ?
B3 H3A 1.077(19) . ?
B3 H3B 1.078(19) . ?
B3 H3C 1.08(2) . ?
B3 H3D 1.08(2) . ?
B4 H4A 1.08(2) . ?
B4 H4B 1.078(19) . ?
B4 H4C 1.08(2) . ?
B4 H4D 1.078(19) . ?
B5 H5A 1.079(19) . ?
B5 H5B 1.08(2) . ?
B5 H5C 1.08(2) . ?
B5 H5D 1.08(2) . ?
B6 H6D 1.07(2) . ?
B6 H6E 1.08(2) . ?
B6 H6F 1.082(19) . ?
B6 H6G 1.08(2) . ?
Dy4 C31 2.625(8) . ?
Dy4 C32 2.608(8) . ?
Dy4 C33 2.609(8) . ?
Dy4 C34 2.633(8) . ?
Dy4 C35 2.652(8) . ?
Dy4 H7F 2.35(7) . ?
Dy4 H7G 2.37(7) . ?
Dy4 B8 2.667(10) 2_687 ?
Dy4 H11B 2.41(7) . ?
Dy4 H11C 2.47(7) . ?
Dy4 B12 2.931(10) 2_687 ?
Dy5 C41 2.591(9) . ?
Dy5 C42 2.611(8) . ?
Dy5 C43 2.631(7) . ?
Dy5 C44 2.653(8) . ?
Dy5 C45 2.594(9) . ?
Dy5 H7D 2.52(7) . ?
Dy5 H7E 2.34(6) . ?
Dy5 B8 2.951(8) . ?
Dy5 H8D 2.41(7) . ?
Dy5 H8F 2.56(7) . ?
Dy5 H9E 2.29(7) . ?
Dy5 H9F 2.44(7) . ?
Dy5 H10D 2.48(7) . ?
Dy5 H10E 2.40(7) . ?
Dy6 C51 2.641(9) . ?
Dy6 C52 2.618(8) . ?
Dy6 C53 2.603(9) . ?
Dy6 C54 2.609(8) . ?
Dy6 C55 2.618(8) . ?
Dy6 H9D 2.44(7) . ?
Dy6 H9G 2.32(6) . ?
Dy6 B10 2.962(9) 2_687 ?
Dy6 H11A 2.35(7) . ?
Dy6 H11D 2.35(7) . ?
Dy6 H12A 2.55(7) . ?
Dy6 H12B 2.55(7) . ?
Dy6 H12D 2.36(7) . ?
C31 C32 1.406(13) . ?
C31 C35 1.422(15) . ?
C31 C36 1.523(12) . ?
C32 C33 1.418(10) . ?
C32 C37 1.519(13) . ?
C33 C34 1.415(12) . ?
C33 C38 1.488(12) . ?
C34 C35 1.423(14) . ?
C34 C39 1.502(13) . ?
C35 C40 1.511(14) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C42 1.424(12) . ?
C41 C45 1.443(14) . ?
C41 C46 1.510(14) . ?
C42 C43 1.410(11) . ?
C42 C47 1.506(11) . ?
C43 C44 1.408(12) . ?
C43 C48 1.506(13) . ?
C44 C45 1.369(15) . ?
C44 C49 1.517(13) . ?
C45 C50 1.516(13) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 C52 1.427(15) . ?
C51 C55 1.396(13) . ?
C51 C56 1.499(15) . ?
C52 C53 1.402(15) . ?
C52 C57 1.522(13) . ?
C53 C54 1.421(12) . ?
C53 C58 1.493(15) . ?
C54 C55 1.417(13) . ?
C54 C59 1.514(13) . ?
C55 C60 1.511(12) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
B7 H7D 1.075(19) . ?
B7 H7E 1.08(2) . ?
B7 H7F 1.081(19) . ?
B7 H7G 1.08(2) . ?
B8 H8D 1.08(2) . ?
B8 H8E 1.08(2) . ?
B8 H8F 1.08(2) . ?
B8 H8G 1.08(2) . ?
B9 H9D 1.08(2) . ?
B9 H9E 1.078(19) . ?
B9 H9F 1.077(19) . ?
B9 H9G 1.08(2) . ?
B10 H10D 1.082(19) . ?
B10 H10E 1.08(2) . ?
B10 H10F 1.083(19) . ?
B10 H10G 1.07(2) . ?
B11 H11A 1.08(2) . ?
B11 H11B 1.08(2) . ?
B11 H11C 1.082(19) . ?
B11 H11D 1.078(19) . ?
B12 H12A 1.08(2) . ?
B12 H12B 1.08(2) . ?
B12 H12C 1.080(19) . ?
B12 H12D 1.078(19) . ?
C61 C62 1.3900 . ?
C61 C66 1.3900 . ?
C61 C67 1.22(3) . ?
C62 H62 0.9500 . ?
C62 C63 1.3900 . ?
C63 H63 0.9500 . ?
C63 C64 1.3900 . ?
C64 H64 0.9500 . ?
C64 C65 1.3900 . ?
C65 H65 0.9500 . ?
C65 C66 1.3900 . ?
C66 H66 0.9500 . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C61A C62A 1.377(17) . ?
C61A C66A 1.396(17) . ?
C61A C67A 1.21(3) . ?
C62A H62A 0.9500 . ?
C62A C63A 1.379(18) . ?
C63A H63A 0.9500 . ?
C63A C64A 1.382(18) . ?
C64A H64A 0.9500 . ?
C64A C65A 1.377(17) . ?
C65A H65A 0.9500 . ?
C65A C66A 1.390(17) . ?
C66A H66A 0.9500 . ?
C67A H67D 0.9800 . ?
C67A H67E 0.9800 . ?
C67A H67F 0.9800 . ?
C68 C69 1.3900 . ?
C68 C73 1.3900 . ?
C68 C74 1.50(3) . ?
C69 H69 0.9500 . ?
C69 C70 1.3900 . ?
C70 H70 0.9500 . ?
C70 C71 1.3900 . ?
C71 H71 0.9500 . ?
C71 C72 1.3900 . ?
C72 H72 0.9500 . ?
C72 C73 1.3900 . ?
C73 H73 0.9500 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C68A C69A 1.388(18) . ?
C68A C73A 1.380(17) . ?
C68A C74A 1.50(3) . ?
C69A H69A 0.9500 . ?
C69A C70A 1.392(18) . ?
C70A H70A 0.9500 . ?
C70A C71A 1.397(18) . ?
C71A H71A 0.9500 . ?
C71A C72A 1.385(18) . ?
C72A H72A 0.9500 . ?
C72A C73A 1.377(18) . ?
C73A H73A 0.9500 . ?
C74A H74D 0.9800 . ?
C74A H74E 0.9800 . ?
C74A H74F 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Dy1 C5 31.5(2) . . ?
C1 Dy1 H1C 138.3(12) . . ?
C1 Dy1 H1D 100.1(11) . . ?
C1 Dy1 H2A 127.2(15) . . ?
C1 Dy1 H2D 120.8(12) . . ?
C1 Dy1 H3C 76.9(15) . . ?
C1 Dy1 H3D 76.7(15) . . ?
C1 Dy1 B6 103.9(3) . . ?
C1 Dy1 H6D 84.2(9) . . ?
C1 Dy1 H6F 124.0(9) . . ?
C2 Dy1 C1 31.3(3) . . ?
C2 Dy1 C3 31.6(2) . . ?
C2 Dy1 C4 51.8(2) . . ?
C2 Dy1 C5 52.0(2) . . ?
C2 Dy1 H1C 160.5(7) . . ?
C2 Dy1 H1D 117.2(8) . . ?
C2 Dy1 H2A 107.2(18) . . ?
C2 Dy1 H2D 89.7(12) . . ?
C2 Dy1 H3C 95.0(12) . . ?
C2 Dy1 H3D 107.3(16) . . ?
C2 Dy1 B6 89.9(3) . . ?
C2 Dy1 H6D 70.0(9) . . ?
C2 Dy1 H6F 111.2(6) . . ?
C3 Dy1 C1 51.8(2) . . ?
C3 Dy1 C5 51.7(2) . . ?
C3 Dy1 H1C 132.6(12) . . ?
C3 Dy1 H1D 95.7(11) . . ?
C3 Dy1 H2A 77.7(17) . . ?
C3 Dy1 H2D 74.8(17) . . ?
C3 Dy1 H3C 125.8(13) . . ?
C3 Dy1 H3D 123.6(12) . . ?
C3 Dy1 B6 108.9(3) . . ?
C3 Dy1 H6D 92.6(13) . . ?
C3 Dy1 H6F 126.1(12) . . ?
C4 Dy1 C1 51.7(2) . . ?
C4 Dy1 C3 31.0(2) . . ?
C4 Dy1 C5 31.2(3) . . ?
C4 Dy1 H1C 108.9(7) . . ?
C4 Dy1 H1D 66.9(9) . . ?
C4 Dy1 H2A 77.7(12) . . ?
C4 Dy1 H2D 95.4(18) . . ?
C4 Dy1 H3C 125.0(17) . . ?
C4 Dy1 H3D 100.8(8) . . ?
C4 Dy1 B6 139.3(3) . . ?
C4 Dy1 H6D 121.0(11) . . ?
C4 Dy1 H6F 156.9(13) . . ?
C5 Dy1 H1C 111.1(8) . . ?
C5 Dy1 H1D 69.3(9) . . ?
C5 Dy1 H2A 106.7(10) . . ?
C5 Dy1 H2D 125.0(18) . . ?
C5 Dy1 H3C 94.4(17) . . ?
C5 Dy1 H3D 72.8(10) . . ?
C5 Dy1 B6 135.4(3) . . ?
C5 Dy1 H6D 115.6(9) . . ?
C5 Dy1 H6F 154.8(11) . . ?
H1C Dy1 H1D 43.6(8) . . ?
H1C Dy1 H2A 66(2) . . ?
H1C Dy1 H2D 95.0(17) . . ?
H1C Dy1 H3C 96.1(18) . . ?
H1C Dy1 H3D 72(2) . . ?
H1C Dy1 H6D 129.5(10) . . ?
H1C Dy1 H6F 87.9(9) . . ?
H1D Dy1 H2A 67(2) . . ?
H1D Dy1 H2D 110(2) . . ?
H1D Dy1 H3C 111.1(19) . . ?
H1D Dy1 H3D 70(2) . . ?
H1D Dy1 H6D 171.7(19) . . ?
H1D Dy1 H6F 131.5(9) . . ?
H2A Dy1 H2D 42.2(9) . . ?
H2A Dy1 H3C 156(2) . . ?
H2A Dy1 H3D 134(2) . . ?
H2A Dy1 H6D 115.6(19) . . ?
H2A Dy1 H6F 95.9(16) . . ?
H2D Dy1 H3C 131(2) . . ?
H2D Dy1 H3D 162(2) . . ?
H2D Dy1 H6D 74(2) . . ?
H2D Dy1 H6F 67(2) . . ?
H3C Dy1 H3D 42.2(9) . . ?
H3C Dy1 H6D 63(2) . . ?
H3C Dy1 H6F 66(2) . . ?
H3D Dy1 H6D 105(2) . . ?
H3D Dy1 H6F 99.5(17) . . ?
B6 Dy1 H1C 109.4(6) . . ?
B6 Dy1 H1D 153.0(8) . . ?
B6 Dy1 H2A 106.2(6) . . ?
B6 Dy1 H2D 68.0(15) . . ?
B6 Dy1 H3C 63.4(13) . . ?
B6 Dy1 H3D 103.9(6) . . ?
B6 Dy1 H6D 20.4(7) . . ?
B6 Dy1 H6F 21.6(5) . . ?
H6D Dy1 H6F 42.0(8) . . ?
C11 Dy2 B4 115.5(3) . . ?
C11 Dy2 H4A 130.5(15) . . ?
C11 Dy2 H4B 97.0(11) . . ?
C11 Dy2 H5A 88.5(14) . . ?
C11 Dy2 H5B 123.9(11) . . ?
C11 Dy2 H6E 130.9(14) . . ?
C12 Dy2 C11 31.2(3) . . ?
C12 Dy2 C15 51.5(3) . . ?
C12 Dy2 B1 95.2(3) . 2_676 ?
C12 Dy2 B4 90.7(3) . . ?
C12 Dy2 H4A 110.7(9) . . ?
C12 Dy2 H4B 69.9(8) . . ?
C12 Dy2 H5A 116.0(11) . . ?
C12 Dy2 H5B 155.1(11) . . ?
C12 Dy2 H6E 105.0(10) . . ?
C13 Dy2 C11 51.9(2) . . ?
C13 Dy2 C12 31.8(2) . . ?
C13 Dy2 C14 31.7(3) . . ?
C13 Dy2 C15 51.9(3) . . ?
C13 Dy2 B1 126.9(3) . 2_676 ?
C13 Dy2 B4 96.9(3) . . ?
C13 Dy2 H4A 118.2(7) . . ?
C13 Dy2 H4B 76.8(9) . . ?
C13 Dy2 H5A 108.3(10) . . ?
C13 Dy2 H5B 149.1(10) . . ?
C13 Dy2 H6E 79.0(13) . . ?
C14 Dy2 C11 51.7(2) . . ?
C14 Dy2 C12 52.3(2) . . ?
C14 Dy2 C15 31.5(3) . . ?
C14 Dy2 B1 130.6(3) . 2_676 ?
C14 Dy2 B4 127.5(3) . . ?
C14 Dy2 H4A 147.5(10) . . ?
C14 Dy2 H4B 108.3(10) . . ?
C14 Dy2 H5A 76.7(10) . . ?
C14 Dy2 H5B 118.3(8) . . ?
C14 Dy2 H6E 86.6(17) . . ?
C15 Dy2 C11 30.6(2) . . ?
C15 Dy2 B4 142.2(3) . . ?
C15 Dy2 H4A 160.8(13) . . ?
C15 Dy2 H4B 121.2(7) . . ?
C15 Dy2 H5A 64.7(10) . . ?
C15 Dy2 H5B 107.3(6) . . ?
C15 Dy2 H6E 117.8(18) . . ?
B1 Dy2 C11 80.9(3) 2_676 . ?
B1 Dy2 C15 100.2(3) 2_676 . ?
B1 Dy2 B4 81.3(3) 2_676 . ?
B1 Dy2 H4A 72.2(16) 2_676 . ?
B1 Dy2 H4B 88.0(17) 2_676 . ?
B1 Dy2 H5A 91.0(18) 2_676 . ?
B1 Dy2 H5B 74.4(17) 2_676 . ?
B1 Dy2 H6E 141.9(18) 2_676 . ?
B4 Dy2 H4A 21.6(6) . . ?
B4 Dy2 H4B 21.3(6) . . ?
B4 Dy2 H5A 152.9(10) . . ?
B4 Dy2 H5B 109.4(6) . . ?
B4 Dy2 H6E 66.7(15) . . ?
H4A Dy2 H4B 42.8(8) . . ?
H4A Dy2 H5A 131.5(10) . . ?
H4A Dy2 H5B 87.9(10) . . ?
H4A Dy2 H6E 71(2) . . ?
H4B Dy2 H5A 174.1(13) . . ?
H4B Dy2 H5B 130.7(7) . . ?
H4B Dy2 H6E 70(2) . . ?
H5A Dy2 H5B 43.6(9) . . ?
H5A Dy2 H6E 108(2) . . ?
H5B Dy2 H6E 96.5(17) . . ?
C21 Dy3 H3A 63.1(8) . . ?
C21 Dy3 H3B 106.5(7) . . ?
C21 Dy3 B4 107.1(4) . . ?
C21 Dy3 H4C 104.0(17) . . ?
C21 Dy3 H4D 88.3(11) . . ?
C22 Dy3 C21 31.3(4) . . ?
C22 Dy3 C25 51.9(5) . . ?
C22 Dy3 H3A 77.7(11) . . ?
C22 Dy3 H3B 114.4(12) . . ?
C22 Dy3 B4 137.5(4) . . ?
C22 Dy3 H4C 127.9(15) . . ?
C22 Dy3 H4D 119.5(11) . . ?
C22 Dy3 B5 85.9(4) . 2_676 ?
C23 Dy3 C21 52.1(4) . . ?
C23 Dy3 C22 31.8(4) . . ?
C23 Dy3 C25 52.0(4) . . ?
C23 Dy3 H3A 109.2(10) . . ?
C23 Dy3 H3B 144.3(15) . . ?
C23 Dy3 B4 132.5(4) . . ?
C23 Dy3 H4C 111.5(10) . . ?
C23 Dy3 H4D 129.2(16) . . ?
C23 Dy3 B5 89.4(4) . 2_676 ?
C24 Dy3 C21 51.7(5) . . ?
C24 Dy3 C22 52.1(5) . . ?
C24 Dy3 C23 31.6(4) . . ?
C24 Dy3 C25 31.1(4) . . ?
C24 Dy3 H3A 114.1(8) . . ?
C24 Dy3 H3B 157.1(8) . . ?
C24 Dy3 B4 100.9(4) . . ?
C24 Dy3 H4C 80.8(11) . . ?
C24 Dy3 H4D 100.7(17) . . ?
C24 Dy3 B5 119.6(5) . 2_676 ?
C25 Dy3 C21 31.3(4) . . ?
C25 Dy3 H3A 86.0(10) . . ?
C25 Dy3 H3B 126.7(9) . . ?
C25 Dy3 B4 87.5(4) . . ?
C25 Dy3 H4C 76.5(16) . . ?
C25 Dy3 H4D 77.4(15) . . ?
C25 Dy3 B5 137.3(4) . 2_676 ?
C21A Dy3 C22A 30.7(4) . . ?
C21A Dy3 C23A 51.8(5) . . ?
C21A Dy3 H3A 67.1(10) . . ?
C21A Dy3 H3B 107.3(10) . . ?
C21A Dy3 B4 126.2(5) . . ?
C21A Dy3 H4C 121.7(17) . . ?
C21A Dy3 H4D 106.6(10) . . ?
C22A Dy3 H3A 95.5(12) . . ?
C22A Dy3 H3B 128.7(15) . . ?
C22A Dy3 H4C 124.7(12) . . ?
C22A Dy3 H4D 131.5(14) . . ?
C23A Dy3 C22A 30.9(4) . . ?
C23A Dy3 H3A 118.0(8) . . ?
C23A Dy3 H3B 158.7(12) . . ?
C23A Dy3 B4 117.3(5) . . ?
C23A Dy3 H4C 95.6(10) . . ?
C23A Dy3 H4D 118.2(17) . . ?
C24A Dy3 C21A 52.3(4) . . ?
C24A Dy3 C22A 50.8(5) . . ?
C24A Dy3 C23A 30.8(4) . . ?
C24A Dy3 H3A 102.8(9) . . ?
C24A Dy3 H3B 143.9(10) . . ?
C24A Dy3 B4 91.9(4) . . ?
C24A Dy3 H4C 75.1(14) . . ?
C24A Dy3 H4D 87.9(17) . . ?
C25A Dy3 C21A 31.9(4) . . ?
C25A Dy3 C22A 50.9(5) . . ?
C25A Dy3 C23A 51.4(5) . . ?
C25A Dy3 C24A 31.4(4) . . ?
C25A Dy3 H3A 71.8(8) . . ?
C25A Dy3 H3B 114.7(7) . . ?
C25A Dy3 B4 96.2(4) . . ?
C25A Dy3 H4C 90.0(17) . . ?
C25A Dy3 H4D 80.7(13) . . ?
H3A Dy3 H3B 43.5(8) . . ?
H3A Dy3 H4C 108(2) . . ?
H3A Dy3 H4D 66.9(19) . . ?
H3B Dy3 H4C 100.9(17) . . ?
H3B Dy3 H4D 69(2) . . ?
B4 Dy3 C22A 142.5(4) . . ?
B4 Dy3 H3A 88.6(17) . . ?
B4 Dy3 H3B 77.4(17) . . ?
B4 Dy3 H4C 23.8(5) . . ?
B4 Dy3 H4D 23.6(5) . . ?
H4C Dy3 H4D 41.7(10) . . ?
B5 Dy3 C21 112.8(5) 2_676 . ?
B5 Dy3 C22A 82.1(4) 2_676 . ?
B5 Dy3 C23A 102.0(5) 2_676 . ?
B5 Dy3 H3A 91.5(16) 2_676 . ?
B5 Dy3 H3B 72.4(16) 2_676 . ?
B5 Dy3 B4 135.1(3) 2_676 . ?
B5 Dy3 H4C 143.1(17) 2_676 . ?
B5 Dy3 H4D 139.5(17) 2_676 . ?
C2 C1 Dy1 73.9(5) . . ?
C2 C1 C5 108.0(7) . . ?
C2 C1 C6 125.4(8) . . ?
C5 C1 Dy1 74.6(5) . . ?
C5 C1 C6 126.1(9) . . ?
C6 C1 Dy1 123.4(6) . . ?
C1 C2 Dy1 74.8(5) . . ?
C1 C2 C3 107.8(7) . . ?
C1 C2 C7 126.8(8) . . ?
C3 C2 Dy1 74.6(4) . . ?
C3 C2 C7 124.8(8) . . ?
C7 C2 Dy1 123.4(5) . . ?
C2 C3 Dy1 73.9(4) . . ?
C2 C3 C8 125.1(8) . . ?
C4 C3 Dy1 74.4(4) . . ?
C4 C3 C2 107.9(7) . . ?
C4 C3 C8 126.7(8) . . ?
C8 C3 Dy1 122.2(6) . . ?
C3 C4 Dy1 74.5(4) . . ?
C3 C4 C5 109.0(7) . . ?
C3 C4 C9 125.5(9) . . ?
C5 C4 Dy1 74.9(5) . . ?
C5 C4 C9 125.2(8) . . ?
C9 C4 Dy1 122.8(6) . . ?
C1 C5 Dy1 73.9(5) . . ?
C1 C5 C10 125.1(9) . . ?
C4 C5 Dy1 73.9(5) . . ?
C4 C5 C1 107.3(7) . . ?
C4 C5 C10 127.3(8) . . ?
C10 C5 Dy1 122.9(6) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 Dy2 72.8(4) . . ?
C12 C11 C16 125.0(8) . . ?
C15 C11 Dy2 74.4(4) . . ?
C15 C11 C12 108.4(7) . . ?
C15 C11 C16 126.3(8) . . ?
C16 C11 Dy2 124.2(5) . . ?
C11 C12 Dy2 76.0(4) . . ?
C11 C12 C13 107.4(7) . . ?
C11 C12 C17 125.4(7) . . ?
C13 C12 Dy2 72.5(4) . . ?
C13 C12 C17 126.9(8) . . ?
C17 C12 Dy2 121.9(5) . . ?
C12 C13 Dy2 75.7(4) . . ?
C12 C13 C18 125.7(8) . . ?
C14 C13 Dy2 74.6(4) . . ?
C14 C13 C12 108.1(7) . . ?
C14 C13 C18 125.9(8) . . ?
C18 C13 Dy2 120.3(5) . . ?
C13 C14 Dy2 73.7(4) . . ?
C13 C14 C15 107.9(7) . . ?
C13 C14 C19 127.2(9) . . ?
C15 C14 Dy2 76.7(4) . . ?
C15 C14 C19 124.5(9) . . ?
C19 C14 Dy2 121.8(5) . . ?
C11 C15 Dy2 75.0(4) . . ?
C11 C15 C14 108.2(7) . . ?
C11 C15 C20 124.3(9) . . ?
C14 C15 Dy2 71.8(4) . . ?
C14 C15 C20 127.4(9) . . ?
C20 C15 Dy2 122.4(5) . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
C12 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 Dy3 72.7(11) . . ?
C22 C21 C25 107.4(12) . . ?
C22 C21 C26 126.7(18) . . ?
C25 C21 Dy3 73.4(10) . . ?
C25 C21 C26 125.5(17) . . ?
C26 C21 Dy3 124.6(14) . . ?
C21 C22 Dy3 76.0(11) . . ?
C21 C22 C23 108.2(12) . . ?
C21 C22 C27 125.1(17) . . ?
C23 C22 Dy3 73.6(11) . . ?
C23 C22 C27 126.0(17) . . ?
C27 C22 Dy3 123.7(14) . . ?
C22 C23 Dy3 74.6(11) . . ?
C22 C23 C28 126.7(17) . . ?
C24 C23 Dy3 73.1(11) . . ?
C24 C23 C22 106.8(11) . . ?
C24 C23 C28 126.3(17) . . ?
C28 C23 Dy3 121.5(13) . . ?
C23 C24 Dy3 75.3(11) . . ?
C23 C24 C29 125.3(17) . . ?
C25 C24 Dy3 76.8(10) . . ?
C25 C24 C23 109.8(12) . . ?
C25 C24 C29 124.6(17) . . ?
C29 C24 Dy3 120.7(13) . . ?
C21 C25 Dy3 75.2(10) . . ?
C21 C25 C30 125.4(17) . . ?
C24 C25 Dy3 72.1(10) . . ?
C24 C25 C21 107.7(12) . . ?
C24 C25 C30 126.8(18) . . ?
C30 C25 Dy3 121.1(12) . . ?
C21 C26 H26A 109.5 . . ?
C21 C26 H26B 109.5 . . ?
C21 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C22 C27 H27A 109.5 . . ?
C22 C27 H27B 109.5 . . ?
C22 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C23 C28 H28A 109.5 . . ?
C23 C28 H28B 109.5 . . ?
C23 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C24 C29 H29A 109.5 . . ?
C24 C29 H29B 109.5 . . ?
C24 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C25 C30 H30A 109.5 . . ?
C25 C30 H30B 109.5 . . ?
C25 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C22A C21A Dy3 77.5(12) . . ?
C22A C21A C25A 106.3(12) . . ?
C22A C21A C26A 126.1(18) . . ?
C25A C21A Dy3 72.6(10) . . ?
C25A C21A C26A 126.6(18) . . ?
C26A C21A Dy3 123.9(13) . . ?
C21A C22A Dy3 71.8(12) . . ?
C21A C22A C23A 108.7(13) . . ?
C21A C22A C27A 125.2(19) . . ?
C23A C22A Dy3 72.7(12) . . ?
C23A C22A C27A 126.1(19) . . ?
C27A C22A Dy3 121.5(16) . . ?
C22A C23A Dy3 76.4(12) . . ?
C22A C23A C28A 125.5(19) . . ?
C24A C23A Dy3 73.1(12) . . ?
C24A C23A C22A 107.8(13) . . ?
C24A C23A C28A 126.3(19) . . ?
C28A C23A Dy3 122.1(15) . . ?
C23A C24A Dy3 76.1(12) . . ?
C23A C24A C25A 108.3(12) . . ?
C23A C24A C29A 126.7(18) . . ?
C25A C24A Dy3 73.3(11) . . ?
C25A C24A C29A 124.9(18) . . ?
C29A C24A Dy3 119.5(15) . . ?
C21A C25A Dy3 75.5(11) . . ?
C21A C25A C30A 123.9(17) . . ?
C24A C25A Dy3 75.2(12) . . ?
C24A C25A C21A 108.8(12) . . ?
C24A C25A C30A 127.0(17) . . ?
C30A C25A Dy3 121.1(13) . . ?
C21A C26A H26D 109.5 . . ?
C21A C26A H26E 109.5 . . ?
C21A C26A H26F 109.5 . . ?
H26D C26A H26E 109.5 . . ?
H26D C26A H26F 109.5 . . ?
H26E C26A H26F 109.5 . . ?
C22A C27A H27D 109.5 . . ?
C22A C27A H27E 109.5 . . ?
C22A C27A H27F 109.5 . . ?
H27D C27A H27E 109.5 . . ?
H27D C27A H27F 109.5 . . ?
H27E C27A H27F 109.5 . . ?
C23A C28A H28D 109.5 . . ?
C23A C28A H28E 109.5 . . ?
C23A C28A H28F 109.5 . . ?
H28D C28A H28E 109.5 . . ?
H28D C28A H28F 109.5 . . ?
H28E C28A H28F 109.5 . . ?
C24A C29A H29D 109.5 . . ?
C24A C29A H29E 109.5 . . ?
C24A C29A H29F 109.5 . . ?
H29D C29A H29E 109.5 . . ?
H29D C29A H29F 109.5 . . ?
H29E C29A H29F 109.5 . . ?
C25A C30A H30D 109.5 . . ?
C25A C30A H30E 109.5 . . ?
C25A C30A H30F 109.5 . . ?
H30D C30A H30E 109.5 . . ?
H30D C30A H30F 109.5 . . ?
H30E C30A H30F 109.5 . . ?
Dy2 B1 H1A 64(4) 2_676 . ?
Dy2 B1 H1B 67(4) 2_676 . ?
Dy2 B1 H1C 80(4) 2_676 . ?
Dy2 B1 H1D 170(4) 2_676 . ?
H1A B1 H1B 109.3(16) . . ?
H1A B1 H1C 109.0(16) . . ?
H1A B1 H1D 109.7(16) . . ?
H1B B1 H1C 109.3(16) . . ?
H1B B1 H1D 109.7(16) . . ?
H1C B1 H1D 109.9(16) . . ?
Dy3 B2 H2A 124(4) 2_676 . ?
Dy3 B2 H2B 56(4) 2_676 . ?
Dy3 B2 H2C 54(4) 2_676 . ?
Dy3 B2 H2D 127(4) 2_676 . ?
H2A B2 H2B 109.2(16) . . ?
H2A B2 H2C 109.0(16) . . ?
H2A B2 H2D 109.2(16) . . ?
H2B B2 H2C 109.7(16) . . ?
H2B B2 H2D 109.8(16) . . ?
H2C B2 H2D 109.9(16) . . ?
Dy3 B3 H3A 53(4) . . ?
Dy3 B3 H3B 57(4) . . ?
Dy3 B3 H3C 122(4) . . ?
Dy3 B3 H3D 129(4) . . ?
H3A B3 H3B 109.9(16) . . ?
H3A B3 H3C 109.6(16) . . ?
H3A B3 H3D 109.5(16) . . ?
H3B B3 H3C 109.5(16) . . ?
H3B B3 H3D 109.5(16) . . ?
H3C B3 H3D 108.9(16) . . ?
Dy2 B4 H4A 57(4) . . ?
Dy2 B4 H4B 54(4) . . ?
Dy2 B4 H4C 132(4) . . ?
Dy2 B4 H4D 118(4) . . ?
Dy3 B4 Dy2 133.7(4) . . ?
Dy3 B4 H4A 77(4) . . ?
Dy3 B4 H4B 171(4) . . ?
Dy3 B4 H4C 63(4) . . ?
Dy3 B4 H4D 71(4) . . ?
H4A B4 H4B 109.7(16) . . ?
H4A B4 H4C 109.1(16) . . ?
H4A B4 H4D 109.3(16) . . ?
H4B B4 H4C 109.4(16) . . ?
H4B B4 H4D 109.9(16) . . ?
H4C B4 H4D 109.4(16) . . ?
Dy3 B5 H5A 173(4) 2_676 . ?
Dy3 B5 H5B 77(4) 2_676 . ?
Dy3 B5 H5C 68(4) 2_676 . ?
Dy3 B5 H5D 66(4) 2_676 . ?
H5A B5 H5B 109.9(16) . . ?
H5A B5 H5C 109.4(16) . . ?
H5A B5 H5D 109.6(16) . . ?
H5B B5 H5C 109.3(16) . . ?
H5B B5 H5D 109.6(16) . . ?
H5C B5 H5D 109.0(16) . . ?
Dy1 B6 H6D 50(4) . . ?
Dy1 B6 H6E 128(4) . . ?
Dy1 B6 H6F 60(4) . . ?
Dy1 B6 H6G 123(4) . . ?
H6D B6 H6E 109.9(16) . . ?
H6D B6 H6F 110.1(16) . . ?
H6D B6 H6G 110.0(17) . . ?
H6E B6 H6F 109.0(16) . . ?
H6E B6 H6G 108.7(16) . . ?
H6F B6 H6G 109.1(16) . . ?
C31 Dy4 C34 51.5(3) . . ?
C31 Dy4 C35 31.3(3) . . ?
C31 Dy4 H7F 96.2(16) . . ?
C31 Dy4 H7G 80.5(11) . . ?
C31 Dy4 B8 120.4(3) . 2_687 ?
C31 Dy4 H11B 156.9(11) . . ?
C31 Dy4 H11C 117.1(7) . . ?
C31 Dy4 B12 90.4(3) . 2_687 ?
C32 Dy4 C31 31.2(3) . . ?
C32 Dy4 C33 31.5(2) . . ?
C32 Dy4 C34 51.8(3) . . ?
C32 Dy4 C35 51.8(3) . . ?
C32 Dy4 H7F 120.7(15) . . ?
C32 Dy4 H7G 111.6(11) . . ?
C32 Dy4 B8 92.8(3) . 2_687 ?
C32 Dy4 H11B 144.1(10) . . ?
C32 Dy4 H11C 104.6(7) . . ?
C32 Dy4 B12 100.9(3) . 2_687 ?
C33 Dy4 C31 51.8(2) . . ?
C33 Dy4 C34 31.3(3) . . ?
C33 Dy4 C35 51.9(3) . . ?
C33 Dy4 H7F 107.1(10) . . ?
C33 Dy4 H7G 123.8(15) . . ?
C33 Dy4 B8 93.5(3) . 2_687 ?
C33 Dy4 H11B 114.2(8) . . ?
C33 Dy4 H11C 73.2(7) . . ?
C33 Dy4 B12 132.2(3) . 2_687 ?
C34 Dy4 C35 31.2(3) . . ?
C34 Dy4 H7F 76.1(10) . . ?
C34 Dy4 H7G 97.7(16) . . ?
C34 Dy4 B8 121.9(3) . 2_687 ?
C34 Dy4 H11B 106.3(8) . . ?
C34 Dy4 H11C 65.8(8) . . ?
C34 Dy4 B12 141.1(3) . 2_687 ?
C35 Dy4 H7F 69.1(15) . . ?
C35 Dy4 H7G 71.8(15) . . ?
C35 Dy4 B8 143.3(3) . 2_687 ?
C35 Dy4 H11B 126.3(13) . . ?
C35 Dy4 H11C 92.8(11) . . ?
C35 Dy4 B12 111.6(3) . 2_687 ?
H7F Dy4 H7G 43.9(9) . . ?
H7F Dy4 H11B 69(2) . . ?
H7F Dy4 H11C 70.9(19) . . ?
H7G Dy4 H11B 98.2(17) . . ?
H7G Dy4 H11C 114.6(18) . . ?
B8 Dy4 H7F 143.1(17) 2_687 . ?
B8 Dy4 H7G 140.3(16) 2_687 . ?
B8 Dy4 H11B 75.0(16) 2_687 . ?
B8 Dy4 H11C 86.9(16) 2_687 . ?
B8 Dy4 B12 81.1(3) 2_687 2_687 ?
H11B Dy4 H11C 42.4(8) . . ?
B12 Dy4 H7F 104.8(6) 2_687 . ?
B12 Dy4 H7G 64.3(13) 2_687 . ?
B12 Dy4 H11B 110.1(7) 2_687 . ?
B12 Dy4 H11C 152.3(7) 2_687 . ?
C41 Dy5 C42 31.8(3) . . ?
C41 Dy5 C43 52.0(3) . . ?
C41 Dy5 C44 51.6(3) . . ?
C41 Dy5 C45 32.3(3) . . ?
C41 Dy5 H7D 142.8(9) . . ?
C41 Dy5 H7E 103.3(9) . . ?
C41 Dy5 B8 102.5(3) . . ?
C41 Dy5 H8D 84.2(10) . . ?
C41 Dy5 H8F 121.8(9) . . ?
C41 Dy5 H9E 120.6(15) . . ?
C41 Dy5 H9F 114.8(12) . . ?
C41 Dy5 H10D 84.9(16) . . ?
C41 Dy5 H10E 77.3(14) . . ?
C42 Dy5 C43 31.2(3) . . ?
C42 Dy5 C44 51.4(2) . . ?
C42 Dy5 H7D 113.2(7) . . ?
C42 Dy5 H7E 71.8(8) . . ?
C42 Dy5 B8 134.2(3) . . ?
C42 Dy5 H8D 115.7(9) . . ?
C42 Dy5 H8F 152.5(11) . . ?
C42 Dy5 H9E 104.2(9) . . ?
C42 Dy5 H9F 124.0(16) . . ?
C42 Dy5 H10D 76.5(12) . . ?
C42 Dy5 H10E 91.6(17) . . ?
C43 Dy5 C44 30.9(3) . . ?
C43 Dy5 H7D 106.5(7) . . ?
C43 Dy5 H7E 66.3(9) . . ?
C43 Dy5 B8 139.7(3) . . ?
C43 Dy5 H8D 120.5(8) . . ?
C43 Dy5 H8F 158.3(11) . . ?
C43 Dy5 H9E 73.7(11) . . ?
C43 Dy5 H9F 96.4(16) . . ?
C43 Dy5 H10D 101.9(8) . . ?
C43 Dy5 H10E 122.7(17) . . ?
C44 Dy5 H7D 127.5(11) . . ?
C44 Dy5 H7E 94.0(11) . . ?
C44 Dy5 B8 109.7(3) . . ?
C44 Dy5 H8D 91.9(11) . . ?
C44 Dy5 H8F 127.4(11) . . ?
C44 Dy5 H9E 69.7(16) . . ?
C44 Dy5 H9F 72.8(16) . . ?
C44 Dy5 H10D 127.9(12) . . ?
C44 Dy5 H10E 127.8(12) . . ?
C45 Dy5 C42 52.3(2) . . ?
C45 Dy5 C43 51.3(3) . . ?
C45 Dy5 C44 30.2(3) . . ?
C45 Dy5 H7D 157.0(9) . . ?
C45 Dy5 H7E 117.3(8) . . ?
C45 Dy5 B8 90.0(3) . . ?
C45 Dy5 H8D 70.0(8) . . ?
C45 Dy5 H8F 111.0(6) . . ?
C45 Dy5 H9E 96.5(17) . . ?
C45 Dy5 H9F 82.5(12) . . ?
C45 Dy5 H10D 117.1(16) . . ?
C45 Dy5 H10E 99.7(10) . . ?
H7D Dy5 H7E 42.4(8) . . ?
H7D Dy5 H8D 130.0(8) . . ?
H7D Dy5 H8F 88.9(9) . . ?
H7D Dy5 H9E 68(2) . . ?
H7D Dy5 H9F 95.8(15) . . ?
H7D Dy5 H10D 69(2) . . ?
H7D Dy5 H10E 98.5(16) . . ?
H7E Dy5 H8D 172.4(12) . . ?
H7E Dy5 H8F 131.2(8) . . ?
H7E Dy5 H9E 69.4(19) . . ?
H7E Dy5 H9F 112.7(17) . . ?
H7E Dy5 H10D 66.6(19) . . ?
H7E Dy5 H10E 108.9(19) . . ?
B8 Dy5 H7D 110.0(6) . . ?
B8 Dy5 H7E 152.4(8) . . ?
B8 Dy5 H8D 20.1(7) . . ?
B8 Dy5 H8F 21.2(5) . . ?
B8 Dy5 H9E 105.1(6) . . ?
B8 Dy5 H9F 63.9(13) . . ?
B8 Dy5 H10D 106.3(6) . . ?
B8 Dy5 H10E 67.8(14) . . ?
H8D Dy5 H8F 41.3(8) . . ?
H8D Dy5 H9E 108.3(19) . . ?
H8D Dy5 H9F 64.5(18) . . ?
H8D Dy5 H10D 113.1(19) . . ?
H8D Dy5 H10E 71.0(19) . . ?
H8F Dy5 H9E 99.1(16) . . ?
H8F Dy5 H9F 66(2) . . ?
H8F Dy5 H10D 97.9(16) . . ?
H8F Dy5 H10E 68(2) . . ?
H9E Dy5 H9F 43.8(10) . . ?
H9E Dy5 H10D 133(2) . . ?
H9E Dy5 H10E 162(2) . . ?
H9F Dy5 H10D 159(2) . . ?
H9F Dy5 H10E 132(2) . . ?
H10D Dy5 H10E 42.3(9) . . ?
C51 Dy6 H9D 108.7(7) . . ?
C51 Dy6 H9G 66.5(9) . . ?
C51 Dy6 B10 140.6(3) . 2_687 ?
C51 Dy6 H11A 99.4(10) . . ?
C51 Dy6 H11D 121.3(17) . . ?
C51 Dy6 H12A 77.3(10) . . ?
C51 Dy6 H12B 117.7(10) . . ?
C51 Dy6 H12D 95.7(17) . . ?
C52 Dy6 C51 31.5(3) . . ?
C52 Dy6 C55 51.8(3) . . ?
C52 Dy6 H9D 111.9(9) . . ?
C52 Dy6 H9G 71.0(9) . . ?
C52 Dy6 B10 133.0(3) . 2_687 ?
C52 Dy6 H11A 72.8(13) . . ?
C52 Dy6 H11D 90.1(17) . . ?
C52 Dy6 H12A 107.7(9) . . ?
C52 Dy6 H12B 147.5(13) . . ?
C52 Dy6 H12D 124.4(17) . . ?
C53 Dy6 C51 51.7(3) . . ?
C53 Dy6 C52 31.2(3) . . ?
C53 Dy6 C54 31.7(3) . . ?
C53 Dy6 C55 52.0(3) . . ?
C53 Dy6 H9D 139.2(12) . . ?
C53 Dy6 H9G 101.8(10) . . ?
C53 Dy6 B10 101.9(3) . 2_687 ?
C53 Dy6 H11A 80.2(17) . . ?
C53 Dy6 H11D 74.3(15) . . ?
C53 Dy6 H12A 125.0(14) . . ?
C53 Dy6 H12B 158.8(7) . . ?
C53 Dy6 H12D 117.2(11) . . ?
C54 Dy6 C51 51.5(3) . . ?
C54 Dy6 C52 51.9(3) . . ?
C54 Dy6 C55 31.5(3) . . ?
C54 Dy6 H9D 160.3(7) . . ?
C54 Dy6 H9G 117.2(8) . . ?
C54 Dy6 B10 90.2(3) . 2_687 ?
C54 Dy6 H11A 111.6(17) . . ?
C54 Dy6 H11D 94.6(11) . . ?
C54 Dy6 H12A 102.4(16) . . ?
C54 Dy6 H12B 127.4(8) . . ?
C54 Dy6 H12D 85.6(11) . . ?
C55 Dy6 C51 30.8(3) . . ?
C55 Dy6 H9D 131.7(10) . . ?
C55 Dy6 H9G 94.3(11) . . ?
C55 Dy6 B10 111.2(3) . 2_687 ?
C55 Dy6 H11A 124.5(13) . . ?
C55 Dy6 H11D 124.6(13) . . ?
C55 Dy6 H12A 74.0(15) . . ?
C55 Dy6 H12B 108.7(6) . . ?
C55 Dy6 H12D 73.1(16) . . ?
H9D Dy6 H9G 43.3(8) . . ?
H9D Dy6 H11A 67(2) . . ?
H9D Dy6 H11D 96.7(16) . . ?
H9D Dy6 H12A 70(2) . . ?
H9D Dy6 H12B 58.3(19) . . ?
H9D Dy6 H12D 98.5(16) . . ?
H9G Dy6 H11A 67(2) . . ?
H9G Dy6 H11D 110.7(19) . . ?
H9G Dy6 H12A 69.5(19) . . ?
H9G Dy6 H12B 87(2) . . ?
H9G Dy6 H12D 111.3(19) . . ?
B10 Dy6 H9D 109.3(6) 2_687 . ?
B10 Dy6 H9G 152.5(8) 2_687 . ?
B10 Dy6 H11A 104.1(6) 2_687 . ?
B10 Dy6 H11D 63.3(14) 2_687 . ?
B10 Dy6 H12A 107.0(6) 2_687 . ?
B10 Dy6 H12B 75.5(15) 2_687 . ?
B10 Dy6 H12D 69.0(15) 2_687 . ?
H11A Dy6 H11D 44.1(9) . . ?
H11A Dy6 H12A 133(2) . . ?
H11A Dy6 H12B 121.0(18) . . ?
H11A Dy6 H12D 162(2) . . ?
H11D Dy6 H12A 161(2) . . ?
H11D Dy6 H12B 120.8(19) . . ?
H11D Dy6 H12D 132(2) . . ?
H12A Dy6 H12B 40.4(9) . . ?
H12A Dy6 H12D 41.9(9) . . ?
H12B Dy6 H12D 41.9(9) . . ?
C32 C31 Dy4 73.7(5) . . ?
C32 C31 C35 108.7(8) . . ?
C32 C31 C36 125.8(10) . . ?
C35 C31 Dy4 75.4(5) . . ?
C35 C31 C36 125.1(10) . . ?
C36 C31 Dy4 122.2(6) . . ?
C31 C32 Dy4 75.1(5) . . ?
C31 C32 C33 108.1(8) . . ?
C31 C32 C37 127.0(8) . . ?
C33 C32 Dy4 74.3(4) . . ?
C33 C32 C37 124.6(8) . . ?
C37 C32 Dy4 121.7(5) . . ?
C32 C33 Dy4 74.2(4) . . ?
C32 C33 C38 126.5(8) . . ?
C34 C33 Dy4 75.3(5) . . ?
C34 C33 C32 107.7(7) . . ?
C34 C33 C38 125.5(8) . . ?
C38 C33 Dy4 121.1(5) . . ?
C33 C34 Dy4 73.4(4) . . ?
C33 C34 C35 108.5(8) . . ?
C33 C34 C39 124.7(10) . . ?
C35 C34 Dy4 75.1(5) . . ?
C35 C34 C39 126.4(10) . . ?
C39 C34 Dy4 123.0(6) . . ?
C31 C35 Dy4 73.3(5) . . ?
C31 C35 C34 106.9(8) . . ?
C31 C35 C40 124.9(12) . . ?
C34 C35 Dy4 73.6(5) . . ?
C34 C35 C40 127.8(12) . . ?
C40 C35 Dy4 123.8(6) . . ?
C31 C36 H36A 109.5 . . ?
C31 C36 H36B 109.5 . . ?
C31 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C32 C37 H37A 109.5 . . ?
C32 C37 H37B 109.5 . . ?
C32 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C33 C38 H38A 109.5 . . ?
C33 C38 H38B 109.5 . . ?
C33 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C34 C39 H39A 109.5 . . ?
C34 C39 H39B 109.5 . . ?
C34 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C35 C40 H40A 109.5 . . ?
C35 C40 H40B 109.5 . . ?
C35 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C42 C41 Dy5 74.9(5) . . ?
C42 C41 C45 106.3(8) . . ?
C42 C41 C46 126.0(10) . . ?
C45 C41 Dy5 73.9(5) . . ?
C45 C41 C46 127.2(10) . . ?
C46 C41 Dy5 122.1(6) . . ?
C41 C42 Dy5 73.4(5) . . ?
C41 C42 C47 124.8(9) . . ?
C43 C42 Dy5 75.2(4) . . ?
C43 C42 C41 107.8(7) . . ?
C43 C42 C47 127.2(8) . . ?
C47 C42 Dy5 121.3(6) . . ?
C42 C43 Dy5 73.6(4) . . ?
C42 C43 C48 125.4(8) . . ?
C44 C43 Dy5 75.4(5) . . ?
C44 C43 C42 108.1(8) . . ?
C44 C43 C48 126.1(9) . . ?
C48 C43 Dy5 122.5(6) . . ?
C43 C44 Dy5 73.7(4) . . ?
C43 C44 C49 123.1(10) . . ?
C45 C44 Dy5 72.5(5) . . ?
C45 C44 C43 109.0(8) . . ?
C45 C44 C49 127.6(10) . . ?
C49 C44 Dy5 124.0(6) . . ?
C41 C45 Dy5 73.8(5) . . ?
C41 C45 C50 124.5(11) . . ?
C44 C45 Dy5 77.3(5) . . ?
C44 C45 C41 108.6(8) . . ?
C44 C45 C50 126.3(11) . . ?
C50 C45 Dy5 122.0(6) . . ?
C41 C46 H46A 109.5 . . ?
C41 C46 H46B 109.5 . . ?
C41 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C42 C47 H47A 109.5 . . ?
C42 C47 H47B 109.5 . . ?
C42 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C43 C48 H48A 109.5 . . ?
C43 C48 H48B 109.5 . . ?
C43 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C44 C49 H49A 109.5 . . ?
C44 C49 H49B 109.5 . . ?
C44 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C45 C50 H50A 109.5 . . ?
C45 C50 H50B 109.5 . . ?
C45 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C52 C51 Dy6 73.4(5) . . ?
C52 C51 C56 126.5(10) . . ?
C55 C51 Dy6 73.7(5) . . ?
C55 C51 C52 108.1(9) . . ?
C55 C51 C56 125.2(10) . . ?
C56 C51 Dy6 122.6(6) . . ?
C51 C52 Dy6 75.1(5) . . ?
C51 C52 C57 124.9(11) . . ?
C53 C52 Dy6 73.8(5) . . ?
C53 C52 C51 107.8(8) . . ?
C53 C52 C57 127.0(11) . . ?
C57 C52 Dy6 121.5(6) . . ?
C52 C53 Dy6 75.0(5) . . ?
C52 C53 C54 108.2(9) . . ?
C52 C53 C58 125.6(10) . . ?
C54 C53 Dy6 74.4(5) . . ?
C54 C53 C58 125.9(11) . . ?
C58 C53 Dy6 122.1(6) . . ?
C53 C54 Dy6 73.9(5) . . ?
C53 C54 C59 127.0(10) . . ?
C55 C54 Dy6 74.6(5) . . ?
C55 C54 C53 107.5(8) . . ?
C55 C54 C59 125.2(9) . . ?
C59 C54 Dy6 122.0(6) . . ?
C51 C55 Dy6 75.5(5) . . ?
C51 C55 C54 108.4(8) . . ?
C51 C55 C60 128.4(10) . . ?
C54 C55 Dy6 73.9(5) . . ?
C54 C55 C60 122.8(9) . . ?
C60 C55 Dy6 122.4(6) . . ?
C51 C56 H56A 109.5 . . ?
C51 C56 H56B 109.5 . . ?
C51 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C52 C57 H57A 109.5 . . ?
C52 C57 H57B 109.5 . . ?
C52 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C53 C58 H58A 109.5 . . ?
C53 C58 H58B 109.5 . . ?
C53 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C54 C59 H59A 109.5 . . ?
C54 C59 H59B 109.5 . . ?
C54 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C55 C60 H60A 109.5 . . ?
C55 C60 H60B 109.5 . . ?
C55 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
H7D B7 H7E 109.9(16) . . ?
H7D B7 H7F 109.6(16) . . ?
H7D B7 H7G 109.5(16) . . ?
H7E B7 H7F 109.4(16) . . ?
H7E B7 H7G 109.1(16) . . ?
H7F B7 H7G 109.2(16) . . ?
Dy4 B8 Dy5 132.3(4) 2_687 . ?
Dy4 B8 H8D 174(4) 2_687 . ?
Dy4 B8 H8E 65(4) 2_687 . ?
Dy4 B8 H8F 74(4) 2_687 . ?
Dy4 B8 H8G 73(4) 2_687 . ?
Dy5 B8 H8D 50(4) . . ?
Dy5 B8 H8E 126(4) . . ?
Dy5 B8 H8F 59(4) . . ?
Dy5 B8 H8G 124(4) . . ?
H8D B8 H8E 109.9(17) . . ?
H8D B8 H8F 109.1(16) . . ?
H8D B8 H8G 110.2(16) . . ?
H8E B8 H8F 108.9(16) . . ?
H8E B8 H8G 109.5(16) . . ?
H8F B8 H8G 109.3(16) . . ?
H9D B9 H9E 109.5(16) . . ?
H9D B9 H9F 109.8(16) . . ?
H9D B9 H9G 109.0(16) . . ?
H9E B9 H9F 109.9(16) . . ?
H9E B9 H9G 109.4(16) . . ?
H9F B9 H9G 109.2(16) . . ?
Dy6 B10 H10D 122(4) 2_687 . ?
Dy6 B10 H10E 129(4) 2_687 . ?
Dy6 B10 H10F 58(4) 2_687 . ?
Dy6 B10 H10G 52(4) 2_687 . ?
H10D B10 H10E 108.8(16) . . ?
H10D B10 H10F 109.1(16) . . ?
H10D B10 H10G 110.1(17) . . ?
H10E B10 H10F 108.7(16) . . ?
H10E B10 H10G 109.9(16) . . ?
H10F B10 H10G 110.3(17) . . ?
H11A B11 H11B 109.4(16) . . ?
H11A B11 H11C 109.3(16) . . ?
H11A B11 H11D 109.8(16) . . ?
H11B B11 H11C 109.2(16) . . ?
H11B B11 H11D 109.7(16) . . ?
H11C B11 H11D 109.4(16) . . ?
Dy4 B12 H12A 121(4) 2_687 . ?
Dy4 B12 H12B 61(4) 2_687 . ?
Dy4 B12 H12C 49(4) 2_687 . ?
Dy4 B12 H12D 129(4) 2_687 . ?
H12A B12 H12B 109.2(16) . . ?
H12A B12 H12C 109.5(16) . . ?
H12A B12 H12D 109.6(17) . . ?
H12B B12 H12C 109.5(16) . . ?
H12B B12 H12D 109.5(16) . . ?
H12C B12 H12D 109.6(16) . . ?
C62 C61 C66 120.0 . . ?
C67 C61 C62 125.1(18) . . ?
C67 C61 C66 114.6(18) . . ?
C61 C62 H62 120.0 . . ?
C61 C62 C63 120.0 . . ?
C63 C62 H62 120.0 . . ?
C62 C63 H63 120.0 . . ?
C62 C63 C64 120.0 . . ?
C64 C63 H63 120.0 . . ?
C63 C64 H64 120.0 . . ?
C63 C64 C65 120.0 . . ?
C65 C64 H64 120.0 . . ?
C64 C65 H65 120.0 . . ?
C64 C65 C66 120.0 . . ?
C66 C65 H65 120.0 . . ?
C61 C66 H66 120.0 . . ?
C65 C66 C61 120.0 . . ?
C65 C66 H66 120.0 . . ?
C61 C67 H67A 109.5 . . ?
C61 C67 H67B 109.5 . . ?
C61 C67 H67C 109.5 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C62A C61A C66A 123.0(19) . . ?
C67A C61A C62A 124(3) . . ?
C67A C61A C66A 113(2) . . ?
C61A C62A H62A 121.4 . . ?
C61A C62A C63A 117(2) . . ?
C63A C62A H62A 121.4 . . ?
C62A C63A H63A 119.7 . . ?
C62A C63A C64A 121(2) . . ?
C64A C63A H63A 119.7 . . ?
C63A C64A H64A 119.1 . . ?
C65A C64A C63A 122(2) . . ?
C65A C64A H64A 119.1 . . ?
C64A C65A H65A 120.8 . . ?
C64A C65A C66A 118.5(19) . . ?
C66A C65A H65A 120.8 . . ?
C61A C66A H66A 120.7 . . ?
C65A C66A C61A 118.6(19) . . ?
C65A C66A H66A 120.7 . . ?
C61A C67A H67D 109.5 . . ?
C61A C67A H67E 109.5 . . ?
C61A C67A H67F 109.5 . . ?
H67D C67A H67E 109.5 . . ?
H67D C67A H67F 109.5 . . ?
H67E C67A H67F 109.5 . . ?
C69 C68 C73 120.0 . . ?
C69 C68 C74 120.2(8) . . ?
C73 C68 C74 119.8(8) . . ?
C68 C69 H69 120.0 . . ?
C68 C69 C70 120.0 . . ?
C70 C69 H69 120.0 . . ?
C69 C70 H70 120.0 . . ?
C71 C70 C69 120.0 . . ?
C71 C70 H70 120.0 . . ?
C70 C71 H71 120.0 . . ?
C70 C71 C72 120.0 . . ?
C72 C71 H71 120.0 . . ?
C71 C72 H72 120.0 . . ?
C71 C72 C73 120.0 . . ?
C73 C72 H72 120.0 . . ?
C68 C73 H73 120.0 . . ?
C72 C73 C68 120.0 . . ?
C72 C73 H73 120.0 . . ?
C68 C74 H74A 109.5 . . ?
C68 C74 H74B 109.5 . . ?
C68 C74 H74C 109.5 . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C69A C68A C74A 123(2) . . ?
C73A C68A C69A 118.8(18) . . ?
C73A C68A C74A 118(2) . . ?
C68A C69A H69A 120.3 . . ?
C68A C69A C70A 119(2) . . ?
C70A C69A H69A 120.3 . . ?
C69A C70A H70A 119.4 . . ?
C69A C70A C71A 121(2) . . ?
C71A C70A H70A 119.4 . . ?
C70A C71A H71A 121.0 . . ?
C72A C71A C70A 118(2) . . ?
C72A C71A H71A 121.0 . . ?
C71A C72A H72A 119.9 . . ?
C73A C72A C71A 120(2) . . ?
C73A C72A H72A 119.9 . . ?
C68A C73A H73A 119.1 . . ?
C72A C73A C68A 122(2) . . ?
C72A C73A H73A 119.1 . . ?
C68A C74A H74D 109.5 . . ?
C68A C74A H74E 109.5 . . ?
C68A C74A H74F 109.5 . . ?
H74D C74A H74E 109.5 . . ?
H74D C74A H74F 109.5 . . ?
H74E C74A H74F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 C1 C2 C3 67.9(6) . . . . ?
Dy1 C1 C2 C7 -120.6(8) . . . . ?
Dy1 C1 C5 C4 -66.9(6) . . . . ?
Dy1 C1 C5 C10 119.2(8) . . . . ?
Dy1 C2 C3 C4 67.2(6) . . . . ?
Dy1 C2 C3 C8 -118.4(8) . . . . ?
Dy1 C3 C4 C5 67.7(6) . . . . ?
Dy1 C3 C4 C9 -119.6(8) . . . . ?
Dy1 C4 C5 C1 66.9(6) . . . . ?
Dy1 C4 C5 C10 -119.4(9) . . . . ?
Dy2 C11 C12 C13 -66.2(5) . . . . ?
Dy2 C11 C12 C17 119.4(8) . . . . ?
Dy2 C11 C15 C14 64.7(5) . . . . ?
Dy2 C11 C15 C20 -119.2(7) . . . . ?
Dy2 C12 C13 C14 -68.2(5) . . . . ?
Dy2 C12 C13 C18 117.3(8) . . . . ?
Dy2 C13 C14 C15 -69.8(5) . . . . ?
Dy2 C13 C14 C19 117.8(8) . . . . ?
Dy2 C14 C15 C11 -66.7(5) . . . . ?
Dy2 C14 C15 C20 117.3(8) . . . . ?
Dy3 C21 C22 C23 67.2(15) . . . . ?
Dy3 C21 C22 C27 -122(2) . . . . ?
Dy3 C21 C25 C24 -65.3(13) . . . . ?
Dy3 C21 C25 C30 118.0(18) . . . . ?
Dy3 C22 C23 C24 66.5(14) . . . . ?
Dy3 C22 C23 C28 -118(2) . . . . ?
Dy3 C23 C24 C25 69.8(14) . . . . ?
Dy3 C23 C24 C29 -117(2) . . . . ?
Dy3 C24 C25 C21 67.4(13) . . . . ?
Dy3 C24 C25 C30 -115.9(18) . . . . ?
Dy3 C21A C22A C23A 63.7(17) . . . . ?
Dy3 C21A C22A C27A -116(2) . . . . ?
Dy3 C21A C25A C24A -68.6(15) . . . . ?
Dy3 C21A C25A C30A 118.0(19) . . . . ?
Dy3 C22A C23A C24A 67.0(16) . . . . ?
Dy3 C22A C23A C28A -120(2) . . . . ?
Dy3 C23A C24A C25A 66.9(16) . . . . ?
Dy3 C23A C24A C29A -117(2) . . . . ?
Dy3 C24A C25A C21A 68.7(14) . . . . ?
Dy3 C24A C25A C30A -118(2) . . . . ?
C1 C2 C3 Dy1 -68.0(6) . . . . ?
C1 C2 C3 C4 -0.8(9) . . . . ?
C1 C2 C3 C8 173.6(8) . . . . ?
C2 C1 C5 Dy1 66.9(6) . . . . ?
C2 C1 C5 C4 0.0(9) . . . . ?
C2 C1 C5 C10 -173.8(8) . . . . ?
C2 C3 C4 Dy1 -66.9(5) . . . . ?
C2 C3 C4 C5 0.8(9) . . . . ?
C2 C3 C4 C9 173.6(8) . . . . ?
C3 C4 C5 Dy1 -67.4(6) . . . . ?
C3 C4 C5 C1 -0.5(9) . . . . ?
C3 C4 C5 C10 173.2(8) . . . . ?
C5 C1 C2 Dy1 -67.4(6) . . . . ?
C5 C1 C2 C3 0.5(9) . . . . ?
C5 C1 C2 C7 172.0(8) . . . . ?
C6 C1 C2 Dy1 119.8(8) . . . . ?
C6 C1 C2 C3 -172.3(8) . . . . ?
C6 C1 C2 C7 -0.8(14) . . . . ?
C6 C1 C5 Dy1 -120.4(8) . . . . ?
C6 C1 C5 C4 172.7(8) . . . . ?
C6 C1 C5 C10 -1.1(14) . . . . ?
C7 C2 C3 Dy1 120.2(8) . . . . ?
C7 C2 C3 C4 -172.5(8) . . . . ?
C7 C2 C3 C8 1.8(13) . . . . ?
C8 C3 C4 Dy1 118.9(8) . . . . ?
C8 C3 C4 C5 -173.5(8) . . . . ?
C8 C3 C4 C9 -0.7(14) . . . . ?
C9 C4 C5 Dy1 119.8(8) . . . . ?
C9 C4 C5 C1 -173.3(8) . . . . ?
C9 C4 C5 C10 0.4(14) . . . . ?
C11 C12 C13 Dy2 68.6(5) . . . . ?
C11 C12 C13 C14 0.3(8) . . . . ?
C11 C12 C13 C18 -174.2(7) . . . . ?
C12 C11 C15 Dy2 -65.4(5) . . . . ?
C12 C11 C15 C14 -0.8(8) . . . . ?
C12 C11 C15 C20 175.3(7) . . . . ?
C12 C13 C14 Dy2 68.9(5) . . . . ?
C12 C13 C14 C15 -0.8(8) . . . . ?
C12 C13 C14 C19 -173.3(8) . . . . ?
C13 C14 C15 Dy2 67.7(5) . . . . ?
C13 C14 C15 C11 1.0(8) . . . . ?
C13 C14 C15 C20 -175.0(7) . . . . ?
C15 C11 C12 Dy2 66.5(5) . . . . ?
C15 C11 C12 C13 0.3(8) . . . . ?
C15 C11 C12 C17 -174.1(7) . . . . ?
C16 C11 C12 Dy2 -120.1(7) . . . . ?
C16 C11 C12 C13 173.7(7) . . . . ?
C16 C11 C12 C17 -0.7(12) . . . . ?
C16 C11 C15 Dy2 121.2(7) . . . . ?
C16 C11 C15 C14 -174.1(7) . . . . ?
C16 C11 C15 C20 2.0(12) . . . . ?
C17 C12 C13 Dy2 -117.1(8) . . . . ?
C17 C12 C13 C14 174.6(7) . . . . ?
C17 C12 C13 C18 0.1(13) . . . . ?
C18 C13 C14 Dy2 -116.6(8) . . . . ?
C18 C13 C14 C15 173.7(7) . . . . ?
C18 C13 C14 C19 1.2(13) . . . . ?
C19 C14 C15 Dy2 -119.6(8) . . . . ?
C19 C14 C15 C11 173.7(7) . . . . ?
C19 C14 C15 C20 -2.3(12) . . . . ?
C21 C22 C23 Dy3 -68.7(15) . . . . ?
C21 C22 C23 C24 -2(2) . . . . ?
C21 C22 C23 C28 173.1(19) . . . . ?
C22 C21 C25 Dy3 65.3(15) . . . . ?
C22 C21 C25 C24 0(2) . . . . ?
C22 C21 C25 C30 -176.7(18) . . . . ?
C22 C23 C24 Dy3 -67.6(14) . . . . ?
C22 C23 C24 C25 2(2) . . . . ?
C22 C23 C24 C29 175(2) . . . . ?
C23 C24 C25 Dy3 -68.8(14) . . . . ?
C23 C24 C25 C21 -1(2) . . . . ?
C23 C24 C25 C30 175.3(18) . . . . ?
C25 C21 C22 Dy3 -65.8(14) . . . . ?
C25 C21 C22 C23 1(2) . . . . ?
C25 C21 C22 C27 173(2) . . . . ?
C26 C21 C22 Dy3 121(2) . . . . ?
C26 C21 C22 C23 -172(2) . . . . ?
C26 C21 C22 C27 -1(4) . . . . ?
C26 C21 C25 Dy3 -121(2) . . . . ?
C26 C21 C25 C24 173.6(19) . . . . ?
C26 C21 C25 C30 -3(3) . . . . ?
C27 C22 C23 Dy3 120(2) . . . . ?
C27 C22 C23 C24 -173(2) . . . . ?
C27 C22 C23 C28 2(4) . . . . ?
C28 C23 C24 Dy3 117(2) . . . . ?
C28 C23 C24 C25 -173.1(19) . . . . ?
C28 C23 C24 C29 0(3) . . . . ?
C29 C24 C25 Dy3 118(2) . . . . ?
C29 C24 C25 C21 -174.2(19) . . . . ?
C29 C24 C25 C30 2(3) . . . . ?
C21A C22A C23A Dy3 -63.1(16) . . . . ?
C21A C22A C23A C24A 4(3) . . . . ?
C21A C22A C23A C28A 177(2) . . . . ?
C22A C21A C25A Dy3 70.9(15) . . . . ?
C22A C21A C25A C24A 2(2) . . . . ?
C22A C21A C25A C30A -171.1(19) . . . . ?
C22A C23A C24A Dy3 -69.2(16) . . . . ?
C22A C23A C24A C25A -2(3) . . . . ?
C22A C23A C24A C29A 174(2) . . . . ?
C23A C24A C25A Dy3 -68.7(16) . . . . ?
C23A C24A C25A C21A 0(3) . . . . ?
C23A C24A C25A C30A 173(2) . . . . ?
C25A C21A C22A Dy3 -67.5(13) . . . . ?
C25A C21A C22A C23A -4(3) . . . . ?
C25A C21A C22A C27A 176(2) . . . . ?
C26A C21A C22A Dy3 123(2) . . . . ?
C26A C21A C22A C23A -173(2) . . . . ?
C26A C21A C22A C27A 7(4) . . . . ?
C26A C21A C25A Dy3 -120(2) . . . . ?
C26A C21A C25A C24A 172(2) . . . . ?
C26A C21A C25A C30A -2(3) . . . . ?
C27A C22A C23A Dy3 117(2) . . . . ?
C27A C22A C23A C24A -176(2) . . . . ?
C27A C22A C23A C28A -3(4) . . . . ?
C28A C23A C24A Dy3 118(2) . . . . ?
C28A C23A C24A C25A -175(2) . . . . ?
C28A C23A C24A C29A 1(4) . . . . ?
C29A C24A C25A Dy3 115(2) . . . . ?
C29A C24A C25A C21A -177(2) . . . . ?
C29A C24A C25A C30A -3(4) . . . . ?
Dy4 C31 C32 C33 67.5(5) . . . . ?
Dy4 C31 C32 C37 -118.7(8) . . . . ?
Dy4 C31 C35 C34 -66.5(6) . . . . ?
Dy4 C31 C35 C40 119.9(9) . . . . ?
Dy4 C32 C33 C34 68.4(5) . . . . ?
Dy4 C32 C33 C38 -117.3(8) . . . . ?
Dy4 C33 C34 C35 67.5(6) . . . . ?
Dy4 C33 C34 C39 -119.1(8) . . . . ?
Dy4 C34 C35 C31 66.3(6) . . . . ?
Dy4 C34 C35 C40 -120.4(9) . . . . ?
Dy5 C41 C42 C43 67.9(6) . . . . ?
Dy5 C41 C42 C47 -117.0(8) . . . . ?
Dy5 C41 C45 C44 -70.1(6) . . . . ?
Dy5 C41 C45 C50 118.0(9) . . . . ?
Dy5 C42 C43 C44 68.1(6) . . . . ?
Dy5 C42 C43 C48 -118.6(8) . . . . ?
Dy5 C43 C44 C45 64.4(6) . . . . ?
Dy5 C43 C44 C49 -120.3(8) . . . . ?
Dy5 C44 C45 C41 67.7(6) . . . . ?
Dy5 C44 C45 C50 -120.6(9) . . . . ?
Dy6 C51 C52 C53 67.2(6) . . . . ?
Dy6 C51 C52 C57 -118.3(8) . . . . ?
Dy6 C51 C55 C54 -67.2(6) . . . . ?
Dy6 C51 C55 C60 120.1(9) . . . . ?
Dy6 C52 C53 C54 67.6(6) . . . . ?
Dy6 C52 C53 C58 -119.0(9) . . . . ?
Dy6 C53 C54 C55 67.7(6) . . . . ?
Dy6 C53 C54 C59 -118.3(9) . . . . ?
Dy6 C54 C55 C51 68.2(6) . . . . ?
Dy6 C54 C55 C60 -118.5(8) . . . . ?
C31 C32 C33 Dy4 -68.1(6) . . . . ?
C31 C32 C33 C34 0.3(9) . . . . ?
C31 C32 C33 C38 174.6(8) . . . . ?
C32 C31 C35 Dy4 66.8(6) . . . . ?
C32 C31 C35 C34 0.3(9) . . . . ?
C32 C31 C35 C40 -173.2(8) . . . . ?
C32 C33 C34 Dy4 -67.7(5) . . . . ?
C32 C33 C34 C35 -0.2(9) . . . . ?
C32 C33 C34 C39 173.3(8) . . . . ?
C33 C34 C35 Dy4 -66.4(5) . . . . ?
C33 C34 C35 C31 -0.1(9) . . . . ?
C33 C34 C35 C40 173.2(8) . . . . ?
C35 C31 C32 Dy4 -67.9(6) . . . . ?
C35 C31 C32 C33 -0.4(9) . . . . ?
C35 C31 C32 C37 173.4(8) . . . . ?
C36 C31 C32 Dy4 118.3(9) . . . . ?
C36 C31 C32 C33 -174.2(8) . . . . ?
C36 C31 C32 C37 -0.4(14) . . . . ?
C36 C31 C35 Dy4 -119.4(9) . . . . ?
C36 C31 C35 C34 174.1(8) . . . . ?
C36 C31 C35 C40 0.6(14) . . . . ?
C37 C32 C33 Dy4 117.9(8) . . . . ?
C37 C32 C33 C34 -173.7(7) . . . . ?
C37 C32 C33 C38 0.6(13) . . . . ?
C38 C33 C34 Dy4 118.0(8) . . . . ?
C38 C33 C34 C35 -174.5(7) . . . . ?
C38 C33 C34 C39 -1.0(13) . . . . ?
C39 C34 C35 Dy4 120.3(9) . . . . ?
C39 C34 C35 C31 -173.4(8) . . . . ?
C39 C34 C35 C40 -0.1(14) . . . . ?
C41 C42 C43 Dy5 -66.7(6) . . . . ?
C41 C42 C43 C44 1.4(9) . . . . ?
C41 C42 C43 C48 174.7(8) . . . . ?
C42 C41 C45 Dy5 68.4(6) . . . . ?
C42 C41 C45 C44 -1.7(10) . . . . ?
C42 C41 C45 C50 -173.5(8) . . . . ?
C42 C43 C44 Dy5 -66.9(5) . . . . ?
C42 C43 C44 C45 -2.5(9) . . . . ?
C42 C43 C44 C49 172.8(8) . . . . ?
C43 C44 C45 Dy5 -65.2(6) . . . . ?
C43 C44 C45 C41 2.6(10) . . . . ?
C43 C44 C45 C50 174.2(9) . . . . ?
C45 C41 C42 Dy5 -67.8(6) . . . . ?
C45 C41 C42 C43 0.2(9) . . . . ?
C45 C41 C42 C47 175.2(8) . . . . ?
C46 C41 C42 Dy5 119.0(9) . . . . ?
C46 C41 C42 C43 -173.1(8) . . . . ?
C46 C41 C42 C47 2.0(14) . . . . ?
C46 C41 C45 Dy5 -118.4(9) . . . . ?
C46 C41 C45 C44 171.5(9) . . . . ?
C46 C41 C45 C50 -0.4(15) . . . . ?
C47 C42 C43 Dy5 118.4(9) . . . . ?
C47 C42 C43 C44 -173.6(8) . . . . ?
C47 C42 C43 C48 -0.2(14) . . . . ?
C48 C43 C44 Dy5 119.8(9) . . . . ?
C48 C43 C44 C45 -175.8(8) . . . . ?
C48 C43 C44 C49 -0.5(14) . . . . ?
C49 C44 C45 Dy5 119.8(9) . . . . ?
C49 C44 C45 C41 -172.4(9) . . . . ?
C49 C44 C45 C50 -0.8(15) . . . . ?
C51 C52 C53 Dy6 -68.1(6) . . . . ?
C51 C52 C53 C54 -0.4(9) . . . . ?
C51 C52 C53 C58 173.0(8) . . . . ?
C52 C51 C55 Dy6 65.9(6) . . . . ?
C52 C51 C55 C54 -1.3(9) . . . . ?
C52 C51 C55 C60 -174.1(8) . . . . ?
C52 C53 C54 Dy6 -68.0(6) . . . . ?
C52 C53 C54 C55 -0.4(9) . . . . ?
C52 C53 C54 C59 173.7(8) . . . . ?
C53 C54 C55 Dy6 -67.2(6) . . . . ?
C53 C54 C55 C51 1.0(9) . . . . ?
C53 C54 C55 C60 174.3(8) . . . . ?
C55 C51 C52 Dy6 -66.1(6) . . . . ?
C55 C51 C52 C53 1.1(9) . . . . ?
C55 C51 C52 C57 175.6(8) . . . . ?
C56 C51 C52 Dy6 118.6(9) . . . . ?
C56 C51 C52 C53 -174.2(9) . . . . ?
C56 C51 C52 C57 0.3(14) . . . . ?
C56 C51 C55 Dy6 -118.8(9) . . . . ?
C56 C51 C55 C54 174.1(9) . . . . ?
C56 C51 C55 C60 1.3(15) . . . . ?
C57 C52 C53 Dy6 117.6(9) . . . . ?
C57 C52 C53 C54 -174.8(8) . . . . ?
C57 C52 C53 C58 -1.4(14) . . . . ?
C58 C53 C54 Dy6 118.6(9) . . . . ?
C58 C53 C54 C55 -173.8(9) . . . . ?
C58 C53 C54 C59 0.3(15) . . . . ?
C59 C54 C55 Dy6 118.6(8) . . . . ?
C59 C54 C55 C51 -173.1(8) . . . . ?
C59 C54 C55 C60 0.1(13) . . . . ?
C61 C62 C63 C64 0.0 . . . . ?
C62 C61 C66 C65 0.0 . . . . ?
C62 C63 C64 C65 0.0 . . . . ?
C63 C64 C65 C66 0.0 . . . . ?
C64 C65 C66 C61 0.0 . . . . ?
C66 C61 C62 C63 0.0 . . . . ?
C67 C61 C62 C63 173(3) . . . . ?
C67 C61 C66 C65 -173(2) . . . . ?
C61A C62A C63A C64A 6(4) . . . . ?
C62A C61A C66A C65A 2(4) . . . . ?
C62A C63A C64A C65A -6(5) . . . . ?
C63A C64A C65A C66A 3(4) . . . . ?
C64A C65A C66A C61A -1(4) . . . . ?
C66A C61A C62A C63A -4(3) . . . . ?
C67A C61A C62A C63A 177(2) . . . . ?
C67A C61A C66A C65A -179(2) . . . . ?
C68 C69 C70 C71 0.0 . . . . ?
C69 C68 C73 C72 0.0 . . . . ?
C69 C70 C71 C72 0.0 . . . . ?
C70 C71 C72 C73 0.0 . . . . ?
C71 C72 C73 C68 0.0 . . . . ?
C73 C68 C69 C70 0.0 . . . . ?
C74 C68 C69 C70 -179(2) . . . . ?
C74 C68 C73 C72 179(2) . . . . ?
C68A C69A C70A C71A 9(6) . . . . ?
C69A C68A C73A C72A -1(5) . . . . ?
C69A C70A C71A C72A -9(6) . . . . ?
C70A C71A C72A C73A 4(5) . . . . ?
C71A C72A C73A C68A 1(5) . . . . ?
C73A C68A C69A C70A -4(6) . . . . ?
C74A C68A C69A C70A 168(4) . . . . ?
C74A C68A C73A C72A -174(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.988
_oxdiff_exptl_absorpt_empirical_full_min 0.424
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Toluene'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ldpm285
_database_code_depnum_ccdc_archive 'CCDC 2365784'
loop_
_audit_author_name
_audit_author_address
'George F. S. Whitehead'
;University of Manchester
United Kingdom
;
_audit_update_record             
;
2024-06-26 deposited with the CCDC.	2024-11-28 downloaded from the CCDC.
;
_manchester_internal_diff_code   ldpm285
_manchester_internal_coll_client SCC
_manchester_internal_coll_date   26/05/23
_manchester_internal_process_date 02/10/23
_manchester_internal_process_user SCC
_manchester_internal_solution_date 02/10/23
_manchester_internal_solution_user SCC
_manchester_internal_refinement_date 02/10/23
_manchester_internal_refinement_user SCC
_manchester_internal_validation_date 02/10/23
_manchester_internal_validation_user SCC
_manchester_internal_archive_date ?
_manchester_internal_archive_user ?
_refine_special_details          
;
The RESI and SAME commands were applied to all OC(CF3)3 groups to restrain
chemically equivalent bond parameters to be approximately equal.
Three OC(CF3)3 groups of the anion are disordered over two orientations.
The occupancies were allowed to freely refine, and linked to FVAR 2 converging 
at a final ratio of 0.69:0.31.
The Al-O distances of the disordered components of the anion were restrained 
to be approximately equal.
One OC(CF3)3 group on the Dy atom is disordered over two orientations.
The occupancies were linked to FVAR 2. A SAME command was applied to part 2 to 
fix bond parameters to be approximately equivalent to the part 1 component. 
C5 and C5A were allowed to occupy the same space.
AFIX 66 commands were applied to the phenyl moieties of the fluorobenzene molecules.
Two fluorobenzene molecules are disordered over 2 orientations, the occupancies
were linked to FVAR 2. SAME commands were applied to part 2 of the disordered
molecules to fix bond parameters to be approximately equivalent to part 1 components. 
Dy-F and C-F bond distances were restrained to be approximately equal where appropriate.
Enhanced rigid bond restraints and similarity thermal restraints were applied to
all non-H atoms to aid refinement.
;
_audit_creation_date             2023-10-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        '[Dy{OC(CF3)3}2(FPh)5][{Al[OC(CF3)3]3}2(F)]'
_chemical_formula_moiety         'C38 H25 Dy F23 O2, 2(Al C12 F27.5 O3)'
_chemical_formula_sum            'C62 H25 Al2 Dy F78 O8'
_chemical_formula_weight         2596.28
_chemical_melting_point          ?
_chemical_oxdiff_formula         DyAlOCF
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.2130 0.2455 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   21.7517(7)
_cell_length_b                   20.9203(7)
_cell_length_c                   18.7796(5)
_cell_angle_alpha                90
_cell_angle_beta                 93.564(3)
_cell_angle_gamma                90
_cell_volume                     8529.2(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8884
_cell_measurement_temperature    103(5)
_cell_measurement_theta_max      72.3780
_cell_measurement_theta_min      2.0100
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.988
_exptl_absorpt_correction_T_max  0.099
_exptl_absorpt_correction_T_min  0.006
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.022
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5020
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-13 3 -3 0.0985
12 4 5 0.0451
0 13 4 0.0258
-5 -11 -5 0.0547
12 -7 1 0.0408
4 -13 -3 0.0489
2 12 -6 0.0326
2 -11 7 0.0328
2 6 -11 0.0255
7 -5 -10 0.0252
3 6 11 0.0459
-6 0 11 0.0486

_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Fluorobenzene layered with n-hexane'
_exptl_crystal_size_max          0.161
_exptl_crystal_size_mid          0.084
_exptl_crystal_size_min          0.08
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-12.9881 2.9827 -3.0035 0.4717 -0.0246 -0.8734
11.9865 4.0094 4.9984 0.0549 0.0148 1.0092
-0.0049 12.9873 3.9912 0.9368 -0.0356 0.3796
-4.9909 -10.9948 -4.9929 -0.6962 0.0162 -0.6947
11.9903 -6.9802 1.0070 -0.7482 0.0007 0.6660
4.0008 -12.9830 -2.9904 -1.0189 0.0258 -0.0913
1.9862 11.9842 -5.9881 0.6502 -0.7703 0.1305
2.0090 -10.9811 6.9888 -0.6655 0.7356 0.1760
1.9863 5.9881 -10.9780 0.1642 -0.9805 -0.1573
6.9875 -4.9938 -9.9755 -0.6778 -0.7374 -0.0062
3.0005 6.0025 10.9804 0.5138 0.5801 0.6916
-5.9850 0.0012 10.9747 0.3359 0.9131 0.0140

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0918
_diffrn_reflns_av_unetI/netI     0.1274
_diffrn_reflns_Laue_measured_fraction_full 0.971
_diffrn_reflns_Laue_measured_fraction_max 0.927
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            42310
_diffrn_reflns_point_group_measured_fraction_full 0.971
_diffrn_reflns_point_group_measured_fraction_max 0.927
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.265
_diffrn_reflns_theta_min         2.035
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      103(5)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.927
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -45.00 133.00   1.00   15.00    --   43.52  60.00  60.00  178
  2  ω    -43.00  60.00   1.00   15.00    --   46.08  40.00-150.00  103
  3  ω     71.00 128.00   1.00   15.00    --   46.08  60.00-120.00   57
  4  ω    110.00 135.00   1.00   15.00    --   46.08  40.00-150.00   25
  5  ω     77.00 174.00   1.00   20.00    --  108.20  40.00-150.00   97
  6  ω     19.00 167.00   1.00   20.00    --  108.20  40.00 -30.00  148
  7  ω    117.00 190.00   1.00   20.00    --  108.20  50.00 -90.00   73
  8  ω     21.00 146.00   1.00   20.00    --  108.20  40.00 -60.00  125
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC11 (RINC): quarter-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0248940000
_diffrn_orient_matrix_UB_12      0.0668900000
_diffrn_orient_matrix_UB_13      0.0170270000
_diffrn_orient_matrix_UB_21      -0.0204767000
_diffrn_orient_matrix_UB_22      -0.0248883000
_diffrn_orient_matrix_UB_23      0.0720348000
_diffrn_orient_matrix_UB_31      0.0631800000
_diffrn_orient_matrix_UB_32      0.0182748000
_diffrn_orient_matrix_UB_33      0.0357312000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type              'Rigaku (Cu) X-ray DW Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8763
_reflns_number_total             16771
_reflns_odcompleteness_completeness 96.75
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     68.13
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.049
_refine_diff_density_min         -1.904
_refine_diff_density_rms         0.116
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1883
_refine_ls_number_reflns         16771
_refine_ls_number_restraints     5946
_refine_ls_R_factor_all          0.1512
_refine_ls_R_factor_gt           0.0807
_refine_ls_restrained_S_all      0.956
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1433P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2111
_refine_ls_wR_factor_ref         0.2544
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Shared sites
{C5, C5A}
3. Restrained distances
 Al2-O3_5 \\sim Al2-O3_9 \\sim Al2-O3_8 \\sim Al2-O3_4 \\sim Al2-O3_6 \\sim
Al2-O3_7
 with sigma of 0.02
 F21-C21A \\sim F21-C21
 with sigma of 0.02
 Dy1-F19A \\sim Dy1-F19
 with sigma of 0.02
 O2-C5A \\sim O2-C5
 with sigma of 0.02
4. Uiso/Uaniso restraints and constraints
F24 \\sim Al1 \\sim O3_1 \\sim O3_2 \\sim O3_3 \\sim C39_1 \\sim C39_2 \\sim
C39_3 \\sim C40_1 \\sim C41_1 \\sim C42_1 \\sim C40_2 \\sim C41_2 \\sim C42_2
\\sim C40_3 \\sim C41_3 \\sim C42_3 \\sim F24_1 \\sim F25_1 \\sim F26_1 \\sim
F27_1 \\sim F28_1 \\sim F29_1 \\sim F30_1 \\sim F31_1 \\sim F32_1 \\sim F24_2
\\sim F25_2 \\sim F26_2 \\sim F27_2 \\sim F28_2 \\sim F29_2 \\sim F30_2 \\sim
F31_2 \\sim F32_2 \\sim F24_3 \\sim F25_3 \\sim F26_3 \\sim F27_3 \\sim F28_3
\\sim F29_3 \\sim F30_3 \\sim F31_3 \\sim F32_3: within 2A with sigma of 0.04
and sigma for terminal atoms of 0.08
Al2 \\sim F25 \\sim O3_9 \\sim C39_9 \\sim C40_9 \\sim F24_9 \\sim F25_9 \\sim
F26_9 \\sim C41_9 \\sim F27_9 \\sim F28_9 \\sim F29_9 \\sim C42_9 \\sim F30_9
\\sim F31_9 \\sim F32_9 \\sim O3_4 \\sim C39_4 \\sim C40_4 \\sim F24_4 \\sim
F25_4 \\sim F26_4 \\sim C41_4 \\sim F27_4 \\sim F28_4 \\sim F29_4 \\sim C42_4
\\sim F30_4 \\sim F31_4 \\sim F32_4 \\sim O3_5 \\sim C39_5 \\sim C40_5 \\sim
F24_5 \\sim F25_5 \\sim F26_5 \\sim C41_5 \\sim F27_5 \\sim F28_5 \\sim F29_5
\\sim C42_5 \\sim F30_5 \\sim F31_5 \\sim F32_5 \\sim O3_6 \\sim C39_6 \\sim
C40_6 \\sim F24_6 \\sim F25_6 \\sim F26_6 \\sim C41_6 \\sim F27_6 \\sim F28_6
\\sim F29_6 \\sim C42_6 \\sim F30_6 \\sim F31_6 \\sim F32_6 \\sim O3_7 \\sim
C39_7 \\sim C40_7 \\sim F24_7 \\sim F25_7 \\sim F26_7 \\sim C41_7 \\sim F27_7
\\sim F28_7 \\sim F29_7 \\sim C42_7 \\sim F30_7 \\sim F31_7 \\sim F32_7 \\sim
O3_8 \\sim C39_8 \\sim C40_8 \\sim F24_8 \\sim F25_8 \\sim F26_8 \\sim C41_8
\\sim F27_8 \\sim F28_8 \\sim F29_8 \\sim C42_8 \\sim F30_8 \\sim F31_8 \\sim
F32_8: within 2A with sigma of 0.02 and sigma for terminal atoms of 0.04
Dy1 \\sim F1 \\sim F2 \\sim F3 \\sim F4 \\sim F5 \\sim F6 \\sim F7 \\sim F8
\\sim F9 \\sim O2 \\sim C5 \\sim C6 \\sim C7 \\sim C8 \\sim F10 \\sim F11 \\sim
F12 \\sim F13 \\sim F14 \\sim F15 \\sim F16 \\sim F17 \\sim F18 \\sim F20 \\sim
F21 \\sim F22 \\sim F23 \\sim O1 \\sim C1 \\sim C2 \\sim C3 \\sim C4 \\sim F19
\\sim C9 \\sim C10 \\sim C11 \\sim C12 \\sim C13 \\sim C14 \\sim C15 \\sim C16
\\sim C17 \\sim C18 \\sim C19 \\sim C20 \\sim C21 \\sim C22 \\sim C23 \\sim C24
\\sim C25 \\sim C26 \\sim C27 \\sim C28 \\sim C29 \\sim C30 \\sim C31 \\sim C32
\\sim C33 \\sim C34 \\sim C35 \\sim C36 \\sim C37 \\sim C38 \\sim F19A \\sim
C9A \\sim C10A \\sim C11A \\sim C12A \\sim C13A \\sim C14A \\sim C21A \\sim
C22A \\sim C23A \\sim C24A \\sim C25A \\sim C26A \\sim C5A \\sim C6A \\sim C7A
\\sim C8A \\sim F10A \\sim F11A \\sim F12A \\sim F13A \\sim F14A \\sim F15A
\\sim F16A \\sim F17A \\sim F18A: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08
Uanis(C5) = Uanis(C5A)
5. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Same fragment restrains
{F19, C9, C10, C11, C12, C13, C14} sigma for 1-2: 0.02, 1-3: 0.04
as
{F19A, C9A, C10A, C11A, C12A, C13A, C14A}
{C5, C6, C7, C8, F10, F11, F12, F13, F14, F15, F16, F17, F18} sigma for 1-2:
0.02, 1-3: 0.04
as
{C5A, C6A, C7A, C8A, F10A, F11A, F12A, F13A, F14A, F15A, F16A, F17A, F18A}
{O3_2, C39_2, C40_2, F24_2, F25_2, F26_2, C41_2, F27_2, F28_2, F29_2, C42_2,
F30_2, F31_2, F32_2}
{O3_3, C39_3, C40_3, F24_3, F25_3, F26_3, C41_3, F27_3, F28_3, F29_3, C42_3,
F30_3, F31_3, F32_3}
{O3_4, C39_4, C40_4, F24_4, F25_4, F26_4, C41_4, F27_4, F28_4, F29_4, C42_4,
F30_4, F31_4, F32_4}
{O3_5, C39_5, C40_5, F24_5, F25_5, F26_5, C41_5, F27_5, F28_5, F29_5, C42_5,
F30_5, F31_5, F32_5}
{O3_6, C39_6, C40_6, F24_6, F25_6, F26_6, C41_6, F27_6, F28_6, F29_6, C42_6,
F30_6, F31_6, F32_6}
{O3_7, C39_7, C40_7, F24_7, F25_7, F26_7, C41_7, F27_7, F28_7, F29_7, C42_7,
F30_7, F31_7, F32_7}
{O3_8, C39_8, C40_8, F24_8, F25_8, F26_8, C41_8, F27_8, F28_8, F29_8, C42_8,
F30_8, F31_8, F32_8}
{O3_9, C39_9, C40_9, F24_9, F25_9, F26_9, C41_9, F27_9, F28_9, F29_9, C42_9,
F30_9, F31_9, F32_9}
as
{O3_1, C39_1, C40_1, F24_1, F25_1, F26_1, C41_1, F27_1, F28_1, F29_1, C42_1,
F30_1, F31_1, F32_1} sigma for 1-2: 0.02 1-3: 0.04
7. Others
 Sof(F19A)=Sof(C9A)=Sof(C10A)=Sof(H10A)=Sof(C11A)=Sof(H11A)=Sof(C12A)=
 Sof(H12A)=Sof(C13A)=Sof(H13A)=Sof(C14A)=Sof(H14A)=Sof(C21A)=Sof(C22A)=
 Sof(H22A)=Sof(C23A)=Sof(H23A)=Sof(C24A)=Sof(H24A)=Sof(C25A)=Sof(H25A)=
 Sof(C26A)=Sof(H26A)=Sof(C5A)=Sof(C6A)=Sof(C7A)=Sof(C8A)=Sof(F10A)=Sof(F11A)=
 Sof(F12A)=Sof(F13A)=Sof(F14A)=Sof(F15A)=Sof(F16A)=Sof(F17A)=Sof(F18A)=Sof(O3)=
 Sof(C39)=Sof(C40)=Sof(F24)=Sof(F25)=Sof(F26)=Sof(C41)=Sof(F27)=Sof(F28)=
 Sof(F29)=Sof(C42)=Sof(F30)=Sof(F31)=Sof(F32)=Sof(O3)=Sof(C39)=Sof(C40)=
 Sof(F24)=Sof(F25)=Sof(F26)=Sof(C41)=Sof(F27)=Sof(F28)=Sof(F29)=Sof(C42)=
 Sof(F30)=Sof(F31)=Sof(F32)=Sof(O3)=Sof(C39)=Sof(C40)=Sof(F24)=Sof(F25)=
 Sof(F26)=Sof(C41)=Sof(F27)=Sof(F28)=Sof(F29)=Sof(C42)=Sof(F30)=Sof(F31)=
 Sof(F32)=1-FVAR(1)
 Sof(C5)=Sof(C6)=Sof(C7)=Sof(C8)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=
 Sof(F15)=Sof(F16)=Sof(F17)=Sof(F18)=Sof(F19)=Sof(C9)=Sof(C10)=Sof(H10)=
 Sof(C11)=Sof(H11)=Sof(C12)=Sof(H12)=Sof(C13)=Sof(H13)=Sof(C14)=Sof(H14)=
 Sof(C21)=Sof(C22)=Sof(H22)=Sof(C23)=Sof(H23)=Sof(C24)=Sof(H24)=Sof(C25)=
 Sof(H25)=Sof(C26)=Sof(H26)=Sof(O3)=Sof(C39)=Sof(C40)=Sof(F24)=Sof(F25)=
 Sof(F26)=Sof(C41)=Sof(F27)=Sof(F28)=Sof(F29)=Sof(C42)=Sof(F30)=Sof(F31)=
 Sof(F32)=Sof(O3)=Sof(C39)=Sof(C40)=Sof(F24)=Sof(F25)=Sof(F26)=Sof(C41)=
 Sof(F27)=Sof(F28)=Sof(F29)=Sof(C42)=Sof(F30)=Sof(F31)=Sof(F32)=Sof(O3)=
 Sof(C39)=Sof(C40)=Sof(F24)=Sof(F25)=Sof(F26)=Sof(C41)=Sof(F27)=Sof(F28)=
 Sof(F29)=Sof(C42)=Sof(F30)=Sof(F31)=Sof(F32)=FVAR(1)
8.a Aromatic/amide H refined with riding coordinates:
 C10(H10), C11(H11), C12(H12), C13(H13), C14(H14), C16(H16), C17(H17),
 C18(H18), C19(H19), C20(H20), C22(H22), C23(H23), C24(H24), C25(H25), C26(H26),
  C28(H28), C29(H29), C30(H30), C31(H31), C32(H32), C34(H34), C35(H35),
 C36(H36), C37(H37), C38(H38), C10A(H10A), C11A(H11A), C12A(H12A), C13A(H13A),
 C14A(H14A), C22A(H22A), C23A(H23A), C24A(H24A), C25A(H25A), C26A(H26A)
8.b Fitted hexagon refined as free rotating group:
 C9(C10,C11,C12,C13,C14), C15(C16,C17,C18,C19,C20), C21(C22,C23,C24,C25,C26),
 C27(C28,C29,C30,C31,C32), C33(C34,C35,C36,C37,C38), C9A(C10A,C11A,C12A,C13A,
 C14A), C21A(C22A,C23A,C24A,C25A,C26A)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   diffmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.23788(2) 0.49522(2) 0.47514(2) 0.04650(17) Uani 1 1 d D U . . .
F1 F 0.3533(3) 0.6836(3) 0.6277(3) 0.0943(18) Uani 1 1 d . U . . .
F2 F 0.3666(2) 0.6145(3) 0.5451(3) 0.0950(18) Uani 1 1 d . U . . .
F3 F 0.3435(3) 0.5833(3) 0.6485(3) 0.0975(18) Uani 1 1 d . U . . .
F4 F 0.2443(3) 0.6704(2) 0.6905(3) 0.0795(15) Uani 1 1 d . U . . .
F5 F 0.2264(3) 0.5714(3) 0.6696(3) 0.0970(18) Uani 1 1 d . U . . .
F6 F 0.1664(3) 0.6432(3) 0.6220(3) 0.0864(16) Uani 1 1 d . U . . .
F7 F 0.2510(3) 0.7449(2) 0.5710(3) 0.0888(17) Uani 1 1 d . U . . .
F8 F 0.1955(3) 0.6889(3) 0.4953(3) 0.0852(16) Uani 1 1 d . U . . .
F9 F 0.2910(3) 0.6994(3) 0.4812(3) 0.0871(16) Uani 1 1 d . U . . .
O2 O 0.2290(2) 0.4077(2) 0.4220(2) 0.0496(12) Uani 1 1 d D U . . .
C5 C 0.2186(4) 0.3594(4) 0.3759(4) 0.0521(15) Uani 0.695(4) 1 d D U . A 1
C6 C 0.1501(6) 0.3387(7) 0.3675(8) 0.070(3) Uani 0.695(4) 1 d D U . A 1
C7 C 0.2593(6) 0.3019(6) 0.3978(8) 0.067(3) Uani 0.695(4) 1 d D U . A 1
C8 C 0.2423(8) 0.3822(7) 0.3023(7) 0.075(3) Uani 0.695(4) 1 d D U . A 1
F10 F 0.1373(3) 0.3057(4) 0.3094(5) 0.077(2) Uani 0.695(4) 1 d D U . A 1
F11 F 0.1149(7) 0.3944(7) 0.3642(10) 0.080(4) Uani 0.695(4) 1 d D U . A 1
F12 F 0.1373(4) 0.3047(4) 0.4258(5) 0.076(2) Uani 0.695(4) 1 d D U . A 1
F13 F 0.3191(5) 0.3221(8) 0.3955(8) 0.076(4) Uani 0.695(4) 1 d D U . A 1
F14 F 0.2501(6) 0.2520(6) 0.3547(10) 0.080(4) Uani 0.695(4) 1 d D U . A 1
F15 F 0.2485(10) 0.2842(10) 0.4645(7) 0.072(4) Uani 0.695(4) 1 d D U . A 1
F16 F 0.2488(5) 0.3329(4) 0.2567(5) 0.095(3) Uani 0.695(4) 1 d D U . A 1
F17 F 0.2937(3) 0.4152(3) 0.3107(4) 0.0671(19) Uani 0.695(4) 1 d D U . A 1
F18 F 0.1963(8) 0.4225(6) 0.2722(8) 0.089(4) Uani 0.695(4) 1 d D U . A 1
F20 F 0.2113(2) 0.5477(2) 0.3657(2) 0.0716(13) Uani 1 1 d . U . . .
F21 F 0.3292(2) 0.5172(2) 0.4190(3) 0.0664(12) Uani 1 1 d D U . . .
F22 F 0.3214(2) 0.4555(2) 0.5490(2) 0.0725(13) Uani 1 1 d . U . . .
F23 F 0.1931(3) 0.4480(2) 0.5721(2) 0.0848(16) Uani 1 1 d . U . . .
O1 O 0.2494(3) 0.5795(3) 0.5333(3) 0.0630(14) Uani 1 1 d . U . . .
C1 C 0.2640(4) 0.6312(4) 0.5744(4) 0.0579(17) Uani 1 1 d . U . . .
C2 C 0.3333(4) 0.6306(5) 0.6009(5) 0.072(2) Uani 1 1 d . U . . .
C3 C 0.2245(5) 0.6302(4) 0.6401(5) 0.065(2) Uani 1 1 d . U . . .
C4 C 0.2491(5) 0.6921(4) 0.5310(5) 0.067(2) Uani 1 1 d . U . . .
F19 F 0.1302(4) 0.5067(9) 0.4538(8) 0.072(4) Uani 0.695(4) 1 d D U . A 1
C9 C 0.0820(7) 0.5478(8) 0.4571(6) 0.057(4) Uani 0.695(4) 1 d D U . A 1
C10 C 0.0613(7) 0.5640(9) 0.5232(5) 0.067(4) Uani 0.695(4) 1 d DG U . A 1
H10 H 0.081511 0.547468 0.565582 0.080 Uiso 0.695(4) 1 calc R . . A 1
C11 C 0.0110(6) 0.6045(7) 0.5274(4) 0.069(4) Uani 0.695(4) 1 d DG U . A 1
H11 H -0.003212 0.615597 0.572644 0.083 Uiso 0.695(4) 1 calc R . . A 1
C12 C -0.0186(5) 0.6287(6) 0.4655(6) 0.076(4) Uani 0.695(4) 1 d DG U . A 1
H12 H -0.053044 0.656362 0.468334 0.091 Uiso 0.695(4) 1 calc R . . A 1
C13 C 0.0021(6) 0.6124(6) 0.3993(5) 0.080(4) Uani 0.695(4) 1 d DG U . A 1
H13 H -0.018153 0.628999 0.356961 0.096 Uiso 0.695(4) 1 calc R . . A 1
C14 C 0.0524(7) 0.5720(7) 0.3951(5) 0.079(4) Uani 0.695(4) 1 d DG U . A 1
H14 H 0.066570 0.560870 0.349898 0.094 Uiso 0.695(4) 1 calc R . . A 1
C15 C 0.2325(3) 0.5896(2) 0.3200(3) 0.063(2) Uani 1 1 d . U . . .
C16 C 0.2727(3) 0.5705(2) 0.2693(3) 0.090(3) Uani 1 1 d G U . . .
H16 H 0.283762 0.526743 0.265595 0.109 Uiso 1 1 calc R . . . .
C17 C 0.2968(3) 0.6154(3) 0.2242(3) 0.101(4) Uani 1 1 d G U . . .
H17 H 0.324278 0.602368 0.189551 0.122 Uiso 1 1 calc R . . . .
C18 C 0.2807(3) 0.6794(3) 0.2296(3) 0.092(3) Uani 1 1 d G U . . .
H18 H 0.297101 0.710143 0.198741 0.111 Uiso 1 1 calc R . . . .
C19 C 0.2404(3) 0.6985(2) 0.2802(3) 0.073(2) Uani 1 1 d G U . . .
H19 H 0.229408 0.742294 0.283975 0.088 Uiso 1 1 calc R . . . .
C20 C 0.2164(3) 0.6536(3) 0.3254(3) 0.066(2) Uani 1 1 d G U . . .
H20 H 0.188892 0.666670 0.360020 0.079 Uiso 1 1 calc R . . . .
C21 C 0.3922(3) 0.5144(4) 0.4146(6) 0.066(3) Uani 0.695(4) 1 d D U . A 1
C22 C 0.4221(4) 0.4557(4) 0.4175(5) 0.065(3) Uani 0.695(4) 1 d G U . A 1
H22 H 0.399508 0.417711 0.425054 0.078 Uiso 0.695(4) 1 calc R . . A 1
C23 C 0.4852(4) 0.4526(4) 0.4095(5) 0.072(3) Uani 0.695(4) 1 d G U . A 1
H23 H 0.505603 0.412416 0.411512 0.087 Uiso 0.695(4) 1 calc R . . A 1
C24 C 0.5183(3) 0.5082(5) 0.3985(6) 0.086(4) Uani 0.695(4) 1 d G U . A 1
H24 H 0.561332 0.506003 0.393024 0.103 Uiso 0.695(4) 1 calc R . . A 1
C25 C 0.4883(4) 0.5669(4) 0.3956(6) 0.081(4) Uani 0.695(4) 1 d G U . A 1
H25 H 0.510967 0.604886 0.388078 0.098 Uiso 0.695(4) 1 calc R . . A 1
C26 C 0.4253(4) 0.5700(4) 0.4036(6) 0.071(3) Uani 0.695(4) 1 d G U . A 1
H26 H 0.404872 0.610184 0.401621 0.086 Uiso 0.695(4) 1 calc R . . A 1
C27 C 0.3342(3) 0.4095(2) 0.5976(3) 0.065(2) Uani 1 1 d . U . . .
C28 C 0.3502(3) 0.3485(3) 0.5760(2) 0.073(2) Uani 1 1 d G U . . .
H28 H 0.353651 0.339588 0.526800 0.088 Uiso 1 1 calc R . . . .
C29 C 0.3611(3) 0.3005(2) 0.6264(3) 0.086(3) Uani 1 1 d G U . . .
H29 H 0.372010 0.258795 0.611637 0.103 Uiso 1 1 calc R . . . .
C30 C 0.3560(4) 0.3135(3) 0.6984(3) 0.094(3) Uani 1 1 d G U . . .
H30 H 0.363459 0.280719 0.732806 0.112 Uiso 1 1 calc R . . . .
C31 C 0.3400(4) 0.3745(3) 0.7199(2) 0.096(3) Uani 1 1 d G U . . .
H31 H 0.336549 0.383437 0.769139 0.115 Uiso 1 1 calc R . . . .
C32 C 0.3291(3) 0.4225(2) 0.6696(3) 0.082(3) Uani 1 1 d G U . . .
H32 H 0.318190 0.464232 0.684303 0.098 Uiso 1 1 calc R . . . .
C33 C 0.1771(3) 0.4122(3) 0.6257(3) 0.068(2) Uani 1 1 d . U . . .
C34 C 0.1850(4) 0.3463(3) 0.6235(3) 0.086(3) Uani 1 1 d G U . . .
H34 H 0.200377 0.326903 0.582417 0.103 Uiso 1 1 calc R . . . .
C35 C 0.1706(4) 0.3089(2) 0.6812(4) 0.116(4) Uani 1 1 d G U . . .
H35 H 0.176034 0.263883 0.679686 0.139 Uiso 1 1 calc R . . . .
C36 C 0.1482(4) 0.3373(3) 0.7413(3) 0.118(4) Uani 1 1 d G U . . .
H36 H 0.138273 0.311763 0.780772 0.142 Uiso 1 1 calc R . . . .
C37 C 0.1402(4) 0.4032(3) 0.7436(3) 0.098(4) Uani 1 1 d G U . . .
H37 H 0.124855 0.422662 0.784590 0.118 Uiso 1 1 calc R . . . .
C38 C 0.1546(3) 0.4407(2) 0.6858(3) 0.071(2) Uani 1 1 d G U . . .
H38 H 0.149198 0.485683 0.687321 0.085 Uiso 1 1 calc R . . . .
Al1 Al 0.51857(9) 0.42329(10) 0.03458(11) 0.0420(5) Uani 1 1 d . U . . .
F24 F 0.500000 0.500000 0.000000 0.0433(13) Uani 1 2 d S TU P . .
Al2 Al 0.00612(9) 0.41714(10) 0.01803(11) 0.0375(5) Uani 1 1 d D U . . .
F25 F 0.000000 0.500000 0.000000 0.0391(12) Uani 1 2 d S TU P A .
F19A F 0.1299(7) 0.5038(19) 0.4731(19) 0.060(5) Uani 0.305(4) 1 d D U . A 2
C9A C 0.0774(17) 0.539(2) 0.4618(15) 0.068(7) Uani 0.305(4) 1 d D U . A 2
C10A C 0.0486(18) 0.569(2) 0.5162(12) 0.077(7) Uani 0.305(4) 1 d DG U . A 2
H10A H 0.063021 0.562971 0.564486 0.092 Uiso 0.305(4) 1 calc R . . A 2
C11A C -0.0013(15) 0.6094(19) 0.5000(13) 0.074(7) Uani 0.305(4) 1 d DG U . A 2
H11A H -0.021001 0.630388 0.537203 0.089 Uiso 0.305(4) 1 calc R . . A 2
C12A C -0.0224(13) 0.6186(15) 0.4294(15) 0.087(8) Uani 0.305(4) 1 d DG U . A 2
H12A H -0.056500 0.646002 0.418290 0.104 Uiso 0.305(4) 1 calc R . . A 2
C13A C 0.0064(15) 0.5879(15) 0.3749(12) 0.085(8) Uani 0.305(4) 1 d DG U . A 2
H13A H -0.007976 0.594198 0.326657 0.102 Uiso 0.305(4) 1 calc R . . A 2
C14A C 0.0563(16) 0.5478(17) 0.3911(13) 0.081(8) Uani 0.305(4) 1 d DG U . A 2
H14A H 0.076047 0.526780 0.353938 0.098 Uiso 0.305(4) 1 calc R . . A 2
C21A C 0.3848(7) 0.5420(11) 0.4031(14) 0.068(6) Uani 0.305(4) 1 d D U . A 2
C22A C 0.4357(10) 0.5017(9) 0.4076(14) 0.079(6) Uani 0.305(4) 1 d G U . A 2
H22A H 0.431114 0.458271 0.420961 0.095 Uiso 0.305(4) 1 calc R . . A 2
C23A C 0.4933(8) 0.5250(11) 0.3925(15) 0.082(6) Uani 0.305(4) 1 d G U . A 2
H23A H 0.528108 0.497432 0.395538 0.098 Uiso 0.305(4) 1 calc R . . A 2
C24A C 0.5000(7) 0.5885(12) 0.3729(15) 0.088(7) Uani 0.305(4) 1 d G U . A 2
H24A H 0.539424 0.604447 0.362549 0.105 Uiso 0.305(4) 1 calc R . . A 2
C25A C 0.4492(10) 0.6289(9) 0.3684(13) 0.087(7) Uani 0.305(4) 1 d G U . A 2
H25A H 0.453746 0.672303 0.354982 0.105 Uiso 0.305(4) 1 calc R . . A 2
C26A C 0.3915(8) 0.6056(10) 0.3835(14) 0.083(6) Uani 0.305(4) 1 d G U . A 2
H26A H 0.356751 0.633143 0.380405 0.100 Uiso 0.305(4) 1 calc R . . A 2
C5A C 0.2186(4) 0.3594(4) 0.3759(4) 0.0521(15) Uani 0.305(4) 1 d D U . A 2
C6A C 0.1518(8) 0.3373(10) 0.3977(13) 0.066(5) Uani 0.305(4) 1 d D U . A 2
C7A C 0.2579(11) 0.2993(10) 0.3893(15) 0.066(5) Uani 0.305(4) 1 d D U . A 2
C8A C 0.2082(12) 0.3767(12) 0.2953(10) 0.073(5) Uani 0.305(4) 1 d D U . A 2
F10A F 0.1349(10) 0.2794(8) 0.3762(16) 0.110(7) Uani 0.305(4) 1 d D U . A 2
F11A F 0.1103(14) 0.3809(14) 0.367(2) 0.073(8) Uani 0.305(4) 1 d D U . A 2
F12A F 0.1471(9) 0.3327(10) 0.4678(10) 0.086(5) Uani 0.305(4) 1 d D U . A 2
F13A F 0.3173(11) 0.3129(16) 0.3750(17) 0.065(7) Uani 0.305(4) 1 d D U . A 2
F14A F 0.2335(16) 0.2462(11) 0.3606(19) 0.090(9) Uani 0.305(4) 1 d D U . A 2
F15A F 0.260(2) 0.2873(19) 0.4609(15) 0.060(8) Uani 0.305(4) 1 d D U . A 2
F16A F 0.2643(10) 0.3748(16) 0.2690(14) 0.123(8) Uani 0.305(4) 1 d D U . A 2
F17A F 0.1812(16) 0.4323(14) 0.2836(14) 0.077(8) Uani 0.305(4) 1 d D U . A 2
F18A F 0.1697(12) 0.3336(9) 0.2596(11) 0.122(7) Uani 0.305(4) 1 d D U . A 2
O3_1 O 0.5135(3) 0.3695(3) -0.0333(3) 0.0588(14) Uani 1 1 d D U . . .
C39_1 C 0.4832(3) 0.3207(3) -0.0675(4) 0.0578(17) Uani 1 1 d D U . . .
C40_1 C 0.4123(4) 0.3340(4) -0.0759(4) 0.070(2) Uani 1 1 d D U . . .
F24_1 F 0.4044(2) 0.3959(3) -0.0919(3) 0.0879(16) Uani 1 1 d D U . . .
F25_1 F 0.3853(2) 0.3215(3) -0.0161(3) 0.0812(15) Uani 1 1 d D U . . .
F26_1 F 0.3858(3) 0.3000(3) -0.1281(3) 0.0949(18) Uani 1 1 d D U . . .
C41_1 C 0.5104(4) 0.3127(4) -0.1410(4) 0.078(2) Uani 1 1 d D U . . .
F27_1 F 0.4893(3) 0.3577(3) -0.1855(3) 0.0927(17) Uani 1 1 d D U . . .
F28_1 F 0.4954(3) 0.2557(3) -0.1701(3) 0.1009(19) Uani 1 1 d D U . . .
F29_1 F 0.5712(3) 0.3164(3) -0.1362(3) 0.0909(17) Uani 1 1 d D U . . .
C42_1 C 0.4933(4) 0.2580(4) -0.0245(4) 0.068(2) Uani 1 1 d D U . . .
F30_1 F 0.5502(3) 0.2362(3) -0.0280(3) 0.0880(16) Uani 1 1 d D U . . .
F31_1 F 0.4863(2) 0.2674(2) 0.0450(2) 0.0724(13) Uani 1 1 d D U . . .
F32_1 F 0.4543(3) 0.2124(2) -0.0462(3) 0.0879(16) Uani 1 1 d D U . . .
O3_2 O 0.4678(2) 0.4074(2) 0.0964(3) 0.0534(13) Uani 1 1 d D U . . .
C39_2 C 0.4349(3) 0.4240(3) 0.1522(3) 0.0505(16) Uani 1 1 d D U . . .
C40_2 C 0.3657(3) 0.4189(4) 0.1292(4) 0.066(2) Uani 1 1 d D U . . .
F24_2 F 0.3475(2) 0.3577(3) 0.1287(3) 0.0805(15) Uani 1 1 d D U . . .
F25_2 F 0.3540(2) 0.4414(2) 0.0642(2) 0.0706(13) Uani 1 1 d D U . . .
F26_2 F 0.3304(2) 0.4501(3) 0.1735(3) 0.0802(15) Uani 1 1 d D U . . .
C41_2 C 0.4508(4) 0.3782(4) 0.2144(4) 0.063(2) Uani 1 1 d D U . . .
F27_2 F 0.4090(2) 0.3780(3) 0.2634(2) 0.0819(15) Uani 1 1 d D U . . .
F28_2 F 0.4552(2) 0.3175(2) 0.1909(3) 0.0772(14) Uani 1 1 d D U . . .
F29_2 F 0.5044(2) 0.3919(3) 0.2481(3) 0.0815(15) Uani 1 1 d D U . . .
C42_2 C 0.4490(4) 0.4927(4) 0.1749(4) 0.064(2) Uani 1 1 d D U . . .
F30_2 F 0.5094(2) 0.5041(2) 0.1763(3) 0.0796(16) Uani 1 1 d D U . . .
F31_2 F 0.4218(2) 0.5342(2) 0.1287(3) 0.0698(13) Uani 1 1 d D U . . .
F32_2 F 0.4297(3) 0.5065(2) 0.2397(3) 0.0796(16) Uani 1 1 d D U . . .
O3_3 O 0.5926(2) 0.4355(3) 0.0666(3) 0.0604(14) Uani 1 1 d D U . . .
C39_3 C 0.6471(3) 0.4100(3) 0.0890(4) 0.0555(17) Uani 1 1 d D U . . .
C40_3 C 0.6836(4) 0.3896(5) 0.0244(5) 0.076(2) Uani 1 1 d D U . . .
F24_3 F 0.6814(4) 0.4338(4) -0.0238(4) 0.139(3) Uani 1 1 d D U . . .
F25_3 F 0.6576(3) 0.3387(4) -0.0059(4) 0.130(3) Uani 1 1 d D U . . .
F26_3 F 0.7408(2) 0.3739(4) 0.0418(3) 0.106(2) Uani 1 1 d D U . . .
C41_3 C 0.6830(4) 0.4601(4) 0.1341(5) 0.073(2) Uani 1 1 d D U . . .
F27_3 F 0.6997(4) 0.5078(3) 0.0930(5) 0.133(3) Uani 1 1 d D U . . .
F28_3 F 0.6503(3) 0.4864(4) 0.1825(4) 0.116(2) Uani 1 1 d D U . . .
F29_3 F 0.7343(2) 0.4379(3) 0.1662(3) 0.0976(19) Uani 1 1 d D U . . .
C42_3 C 0.6384(4) 0.3506(4) 0.1365(5) 0.078(2) Uani 1 1 d D U . . .
F30_3 F 0.6232(3) 0.3675(4) 0.2018(4) 0.133(3) Uani 1 1 d D U . . .
F31_3 F 0.5930(3) 0.3147(3) 0.1127(5) 0.141(3) Uani 1 1 d D U . . .
F32_3 F 0.6877(3) 0.3163(3) 0.1493(4) 0.107(2) Uani 1 1 d D U . . .
O3_4 O -0.0419(6) 0.3816(7) -0.0427(6) 0.054(3) Uani 0.695(4) 1 d D U . A 1
C39_4 C -0.0508(5) 0.3433(5) -0.1007(5) 0.065(2) Uani 0.695(4) 1 d D U . A 1
C40_4 C -0.0113(7) 0.3684(6) -0.1607(6) 0.095(3) Uani 0.695(4) 1 d D U . A 1
F24_4 F 0.0453(5) 0.3386(7) -0.1451(7) 0.127(4) Uani 0.695(4) 1 d D U . A 1
F25_4 F -0.0081(7) 0.4312(5) -0.1587(5) 0.110(4) Uani 0.695(4) 1 d D U . A 1
F26_4 F -0.0277(6) 0.3493(6) -0.2256(5) 0.114(4) Uani 0.695(4) 1 d D U . A 1
C41_4 C -0.0344(6) 0.2747(5) -0.0793(6) 0.081(3) Uani 0.695(4) 1 d D U . A 1
F27_4 F -0.0266(6) 0.2374(5) -0.1362(5) 0.097(4) Uani 0.695(4) 1 d D U . A 1
F28_4 F 0.0184(7) 0.2750(8) -0.0388(7) 0.082(4) Uani 0.695(4) 1 d D U . A 1
F29_4 F -0.0819(6) 0.2489(6) -0.0448(7) 0.108(4) Uani 0.695(4) 1 d D U . A 1
C42_4 C -0.1205(6) 0.3465(6) -0.1252(7) 0.098(3) Uani 0.695(4) 1 d D U . A 1
F30_4 F -0.1527(6) 0.3470(9) -0.0678(8) 0.124(5) Uani 0.695(4) 1 d D U . A 1
F31_4 F -0.1259(7) 0.4003(6) -0.1656(9) 0.146(5) Uani 0.695(4) 1 d D U . A 1
F32_4 F -0.1364(7) 0.2958(5) -0.1658(8) 0.128(5) Uani 0.695(4) 1 d D U . A 1
O3_5 O 0.0812(3) 0.4012(6) 0.0046(5) 0.045(2) Uani 0.695(4) 1 d D U . A 1
C39_5 C 0.1414(4) 0.4011(5) 0.0302(5) 0.052(2) Uani 0.695(4) 1 d D U . A 1
C40_5 C 0.1826(5) 0.3954(6) -0.0343(6) 0.072(3) Uani 0.695(4) 1 d D U . A 1
F24_5 F 0.1611(4) 0.4399(5) -0.0840(5) 0.095(3) Uani 0.695(4) 1 d D U . A 1
F25_5 F 0.1783(4) 0.3380(4) -0.0627(5) 0.086(3) Uani 0.695(4) 1 d D U . A 1
F26_5 F 0.2407(3) 0.4064(6) -0.0163(4) 0.100(3) Uani 0.695(4) 1 d D U . A 1
C41_5 C 0.1568(6) 0.4622(6) 0.0730(7) 0.081(3) Uani 0.695(4) 1 d D U . A 1
F27_5 F 0.1481(5) 0.5129(5) 0.0273(8) 0.099(4) Uani 0.695(4) 1 d D U . A 1
F28_5 F 0.1182(7) 0.4681(8) 0.1248(7) 0.091(4) Uani 0.695(4) 1 d D U . A 1
F29_5 F 0.2139(6) 0.4633(8) 0.1020(9) 0.140(5) Uani 0.695(4) 1 d D U . A 1
C42_5 C 0.1532(5) 0.3410(5) 0.0790(6) 0.063(2) Uani 0.695(4) 1 d D U . A 1
F30_5 F 0.1327(3) 0.3491(4) 0.1426(3) 0.073(2) Uani 0.695(4) 1 d D U . A 1
F31_5 F 0.1290(5) 0.2888(4) 0.0495(5) 0.082(3) Uani 0.695(4) 1 d D U . A 1
F32_5 F 0.2140(3) 0.3260(4) 0.0883(5) 0.088(3) Uani 0.695(4) 1 d D U . A 1
O3_6 O -0.0176(9) 0.4107(8) 0.1022(6) 0.062(3) Uani 0.695(4) 1 d D U . A 1
C39_6 C -0.0439(5) 0.3790(5) 0.1534(5) 0.060(2) Uani 0.695(4) 1 d D U . A 1
C40_6 C -0.1154(5) 0.3754(7) 0.1360(7) 0.100(3) Uani 0.695(4) 1 d D U . A 1
F24_6 F -0.1253(4) 0.3311(6) 0.0861(5) 0.116(3) Uani 0.695(4) 1 d D U . A 1
F25_6 F -0.1356(7) 0.4319(7) 0.1115(8) 0.148(5) Uani 0.695(4) 1 d D U . A 1
F26_6 F -0.1407(6) 0.3616(9) 0.1968(7) 0.162(6) Uani 0.695(4) 1 d D U . A 1
C41_6 C -0.0193(5) 0.3110(5) 0.1634(6) 0.073(3) Uani 0.695(4) 1 d D U . A 1
F27_6 F -0.0091(6) 0.2837(8) 0.1009(7) 0.106(4) Uani 0.695(4) 1 d D U . A 1
F28_6 F -0.0640(5) 0.2733(7) 0.1937(7) 0.101(4) Uani 0.695(4) 1 d D U . A 1
F29_6 F 0.0318(4) 0.3074(5) 0.2019(5) 0.117(3) Uani 0.695(4) 1 d D U . A 1
C42_6 C -0.0300(6) 0.4163(6) 0.2238(6) 0.081(3) Uani 0.695(4) 1 d D U . A 1
F30_6 F 0.0274(5) 0.4349(5) 0.2318(6) 0.104(3) Uani 0.695(4) 1 d D U . A 1
F31_6 F -0.0643(6) 0.4681(4) 0.2266(5) 0.105(3) Uani 0.695(4) 1 d D U . A 1
F32_6 F -0.0392(8) 0.3824(9) 0.2831(7) 0.118(5) Uani 0.695(4) 1 d D U . A 1
O3_7 O -0.0226(18) 0.4119(17) 0.1003(12) 0.060(4) Uani 0.305(4) 1 d D U . A 2
C39_7 C -0.0493(8) 0.3783(9) 0.1511(9) 0.067(3) Uani 0.305(4) 1 d D U . A 2
C40_7 C -0.1187(9) 0.3981(11) 0.1500(12) 0.095(4) Uani 0.305(4) 1 d D U . A 2
F24_7 F -0.1395(12) 0.4019(16) 0.0811(11) 0.118(7) Uani 0.305(4) 1 d D U . A 2
F25_7 F -0.1200(11) 0.4536(11) 0.1838(14) 0.130(6) Uani 0.305(4) 1 d D U . A 2
F26_7 F -0.1566(10) 0.3581(15) 0.1780(16) 0.119(7) Uani 0.305(4) 1 d D U . A 2
C41_7 C -0.0414(10) 0.3065(9) 0.1394(11) 0.083(4) Uani 0.305(4) 1 d D U . A 2
F27_7 F -0.0908(11) 0.2882(10) 0.0978(12) 0.119(6) Uani 0.305(4) 1 d D U . A 2
F28_7 F -0.0345(15) 0.2712(14) 0.1998(13) 0.108(7) Uani 0.305(4) 1 d D U . A 2
F29_7 F 0.0100(13) 0.2933(18) 0.1070(18) 0.102(7) Uani 0.305(4) 1 d D U . A 2
C42_7 C -0.0199(9) 0.3956(10) 0.2262(10) 0.083(4) Uani 0.305(4) 1 d D U . A 2
F30_7 F 0.0326(9) 0.3647(14) 0.2346(11) 0.121(6) Uani 0.305(4) 1 d D U . A 2
F31_7 F -0.0114(14) 0.4575(10) 0.2345(12) 0.107(6) Uani 0.305(4) 1 d D U . A 2
F32_7 F -0.0584(14) 0.3766(18) 0.2758(15) 0.097(8) Uani 0.305(4) 1 d D U . A 2
O3_8 O -0.0358(14) 0.3854(15) -0.0523(13) 0.053(4) Uani 0.305(4) 1 d D U . A 2
C39_8 C -0.0463(7) 0.3434(8) -0.1066(9) 0.060(3) Uani 0.305(4) 1 d D U . A 2
C40_8 C -0.0574(10) 0.3813(9) -0.1779(9) 0.078(4) Uani 0.305(4) 1 d D U . A 2
F24_8 F -0.0123(13) 0.4223(12) -0.1868(13) 0.111(7) Uani 0.305(4) 1 d D U . A 2
F25_8 F -0.1062(11) 0.4172(10) -0.1860(12) 0.088(5) Uani 0.305(4) 1 d D U . A 2
F26_8 F -0.0643(12) 0.3388(10) -0.2312(10) 0.093(7) Uani 0.305(4) 1 d D U . A 2
C41_8 C 0.0073(8) 0.2961(8) -0.1088(9) 0.054(3) Uani 0.305(4) 1 d D U . A 2
F27_8 F -0.0025(10) 0.2481(8) -0.1552(9) 0.059(5) Uani 0.305(4) 1 d D U . A 2
F28_8 F 0.0621(7) 0.3229(9) -0.1239(10) 0.056(4) Uani 0.305(4) 1 d D U . A 2
F29_8 F 0.0218(13) 0.2666(16) -0.0470(11) 0.049(5) Uani 0.305(4) 1 d D U . A 2
C42_8 C -0.1067(8) 0.3056(10) -0.0974(11) 0.074(4) Uani 0.305(4) 1 d D U . A 2
F30_8 F -0.1035(11) 0.2671(13) -0.0430(14) 0.095(7) Uani 0.305(4) 1 d D U . A 2
F31_8 F -0.1552(12) 0.3429(15) -0.0870(15) 0.082(6) Uani 0.305(4) 1 d D U . A 2
F32_8 F -0.1236(13) 0.2734(10) -0.1578(13) 0.091(6) Uani 0.305(4) 1 d D U . A 2
O3_9 O 0.0803(6) 0.3947(13) 0.0255(12) 0.046(4) Uani 0.305(4) 1 d D U . A 2
C39_9 C 0.1401(7) 0.4099(8) 0.0191(8) 0.058(3) Uani 0.305(4) 1 d D U . A 2
C40_9 C 0.1485(9) 0.4165(10) -0.0624(9) 0.083(4) Uani 0.305(4) 1 d D U . A 2
F24_9 F 0.1004(9) 0.4490(10) -0.0936(10) 0.110(6) Uani 0.305(4) 1 d D U . A 2
F25_9 F 0.1569(13) 0.3565(10) -0.0850(12) 0.111(7) Uani 0.305(4) 1 d D U . A 2
F26_9 F 0.1948(9) 0.4542(12) -0.0764(14) 0.116(6) Uani 0.305(4) 1 d D U . A 2
C41_9 C 0.1583(10) 0.4639(9) 0.0712(11) 0.071(4) Uani 0.305(4) 1 d D U . A 2
F27_9 F 0.1712(12) 0.5152(12) 0.0327(14) 0.085(6) Uani 0.305(4) 1 d D U . A 2
F28_9 F 0.1091(12) 0.4773(17) 0.1093(16) 0.071(6) Uani 0.305(4) 1 d D U . A 2
F29_9 F 0.2062(9) 0.4527(14) 0.1174(9) 0.058(5) Uani 0.305(4) 1 d D U . A 2
C42_9 C 0.1815(8) 0.3525(9) 0.0446(10) 0.074(4) Uani 0.305(4) 1 d D U . A 2
F30_9 F 0.1917(11) 0.3573(11) 0.1152(9) 0.101(5) Uani 0.305(4) 1 d D U . A 2
F31_9 F 0.1561(8) 0.2976(8) 0.0267(11) 0.072(5) Uani 0.305(4) 1 d D U . A 2
F32_9 F 0.2364(7) 0.3555(10) 0.0158(12) 0.098(5) Uani 0.305(4) 1 d D U . A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O2 2.089(5) . ?
Dy1 F20 2.369(4) . ?
Dy1 F21 2.351(4) . ?
Dy1 F22 2.368(4) . ?
Dy1 F23 2.336(4) . ?
Dy1 O1 2.080(5) . ?
Dy1 F19 2.364(8) . ?
Dy1 F19A 2.354(14) . ?
F1 C2 1.282(10) . ?
F2 C2 1.353(10) . ?
F3 C2 1.344(11) . ?
F4 C3 1.318(9) . ?
F5 C3 1.348(10) . ?
F6 C3 1.316(11) . ?
F7 C4 1.335(10) . ?
F8 C4 1.311(11) . ?
F9 C4 1.354(10) . ?
O2 C5 1.340(8) . ?
O2 C5A 1.340(8) . ?
C5 C6 1.551(15) . ?
C5 C7 1.535(13) . ?
C5 C8 1.579(15) . ?
C6 F10 1.307(14) . ?
C6 F11 1.392(15) . ?
C6 F12 1.349(16) . ?
C7 F13 1.370(12) . ?
C7 F14 1.328(13) . ?
C7 F15 1.341(13) . ?
C8 F16 1.353(15) . ?
C8 F17 1.315(16) . ?
C8 F18 1.40(2) . ?
F20 C15 1.330(6) . ?
F21 C21 1.380(7) . ?
F21 C21A 1.367(13) . ?
F22 C27 1.343(6) . ?
F23 C33 1.320(6) . ?
O1 C1 1.356(9) . ?
C1 C2 1.557(13) . ?
C1 C3 1.548(11) . ?
C1 C4 1.536(12) . ?
F19 C9 1.360(9) . ?
C9 C10 1.3900 . ?
C9 C14 1.3900 . ?
C10 H10 0.9500 . ?
C10 C11 1.3900 . ?
C11 H11 0.9500 . ?
C11 C12 1.3900 . ?
C12 H12 0.9500 . ?
C12 C13 1.3900 . ?
C13 H13 0.9500 . ?
C13 C14 1.3900 . ?
C14 H14 0.9500 . ?
C15 C16 1.3900 . ?
C15 C20 1.3900 . ?
C16 H16 0.9500 . ?
C16 C17 1.3900 . ?
C17 H17 0.9500 . ?
C17 C18 1.3900 . ?
C18 H18 0.9500 . ?
C18 C19 1.3900 . ?
C19 H19 0.9500 . ?
C19 C20 1.3900 . ?
C20 H20 0.9500 . ?
C21 C22 1.3900 . ?
C21 C26 1.3900 . ?
C22 H22 0.9500 . ?
C22 C23 1.3900 . ?
C23 H23 0.9500 . ?
C23 C24 1.3900 . ?
C24 H24 0.9500 . ?
C24 C25 1.3900 . ?
C25 H25 0.9500 . ?
C25 C26 1.3900 . ?
C26 H26 0.9500 . ?
C27 C28 1.3900 . ?
C27 C32 1.3900 . ?
C28 H28 0.9500 . ?
C28 C29 1.3900 . ?
C29 H29 0.9500 . ?
C29 C30 1.3900 . ?
C30 H30 0.9500 . ?
C30 C31 1.3900 . ?
C31 H31 0.9500 . ?
C31 C32 1.3900 . ?
C32 H32 0.9500 . ?
C33 C34 1.3900 . ?
C33 C38 1.3900 . ?
C34 H34 0.9500 . ?
C34 C35 1.3900 . ?
C35 H35 0.9500 . ?
C35 C36 1.3900 . ?
C36 H36 0.9500 . ?
C36 C37 1.3900 . ?
C37 H37 0.9500 . ?
C37 C38 1.3900 . ?
C38 H38 0.9500 . ?
Al1 F24 1.768(2) . ?
Al1 O3_1 1.699(6) . ?
Al1 O3_2 1.685(5) . ?
Al1 O3_3 1.703(5) . ?
Al2 F25 1.770(2) . ?
Al2 O3_4 1.672(8) . ?
Al2 O3_5 1.701(7) . ?
Al2 O3_6 1.699(8) . ?
Al2 O3_7 1.706(13) . ?
Al2 O3_8 1.693(13) . ?
Al2 O3_9 1.679(12) . ?
F19A C9A 1.358(14) . ?
C9A C10A 1.3900 . ?
C9A C14A 1.3900 . ?
C10A H10A 0.9500 . ?
C10A C11A 1.3900 . ?
C11A H11A 0.9500 . ?
C11A C12A 1.3900 . ?
C12A H12A 0.9500 . ?
C12A C13A 1.3900 . ?
C13A H13A 0.9500 . ?
C13A C14A 1.3900 . ?
C14A H14A 0.9500 . ?
C21A C22A 1.3900 . ?
C21A C26A 1.3900 . ?
C22A H22A 0.9500 . ?
C22A C23A 1.3900 . ?
C23A H23A 0.9500 . ?
C23A C24A 1.3900 . ?
C24A H24A 0.9500 . ?
C24A C25A 1.3900 . ?
C25A H25A 0.9500 . ?
C25A C26A 1.3900 . ?
C26A H26A 0.9500 . ?
C5A C6A 1.602(19) . ?
C5A C7A 1.533(18) . ?
C5A C8A 1.559(19) . ?
C6A F10A 1.32(2) . ?
C6A F11A 1.39(2) . ?
C6A F12A 1.33(2) . ?
C7A F13A 1.365(17) . ?
C7A F14A 1.330(18) . ?
C7A F15A 1.368(18) . ?
C8A F16A 1.35(2) . ?
C8A F17A 1.32(2) . ?
C8A F18A 1.37(3) . ?
O3_1 C39_1 1.356(8) . ?
C39_1 C40_1 1.566(10) . ?
C39_1 C41_1 1.545(10) . ?
C39_1 C42_1 1.549(9) . ?
C40_1 F24_1 1.339(9) . ?
C40_1 F25_1 1.324(9) . ?
C40_1 F26_1 1.315(9) . ?
C41_1 F27_1 1.321(9) . ?
C41_1 F28_1 1.344(9) . ?
C41_1 F29_1 1.322(9) . ?
C42_1 F30_1 1.325(9) . ?
C42_1 F31_1 1.337(9) . ?
C42_1 F32_1 1.324(8) . ?
O3_2 C39_2 1.350(7) . ?
C39_2 C40_2 1.543(9) . ?
C39_2 C41_2 1.534(9) . ?
C39_2 C42_2 1.525(9) . ?
C40_2 F24_2 1.339(9) . ?
C40_2 F25_2 1.319(8) . ?
C40_2 F26_2 1.338(8) . ?
C41_2 F27_2 1.335(8) . ?
C41_2 F28_2 1.349(8) . ?
C41_2 F29_2 1.322(8) . ?
C42_2 F30_2 1.334(9) . ?
C42_2 F31_2 1.339(9) . ?
C42_2 F32_2 1.343(9) . ?
O3_3 C39_3 1.345(8) . ?
C39_3 C40_3 1.551(10) . ?
C39_3 C41_3 1.531(9) . ?
C39_3 C42_3 1.547(10) . ?
C40_3 F24_3 1.293(9) . ?
C40_3 F25_3 1.317(9) . ?
C40_3 F26_3 1.309(8) . ?
C41_3 F27_3 1.326(10) . ?
C41_3 F28_3 1.310(9) . ?
C41_3 F29_3 1.319(9) . ?
C42_3 F30_3 1.339(10) . ?
C42_3 F31_3 1.298(9) . ?
C42_3 F32_3 1.301(9) . ?
O3_4 C39_4 1.357(10) . ?
C39_4 C40_4 1.550(12) . ?
C39_4 C41_4 1.526(12) . ?
C39_4 C42_4 1.559(12) . ?
C40_4 F24_4 1.395(13) . ?
C40_4 F25_4 1.316(12) . ?
C40_4 F26_4 1.311(12) . ?
C41_4 F27_4 1.342(11) . ?
C41_4 F28_4 1.337(13) . ?
C41_4 F29_4 1.365(12) . ?
C42_4 F30_4 1.321(14) . ?
C42_4 F31_4 1.358(13) . ?
C42_4 F32_4 1.340(12) . ?
O3_5 C39_5 1.366(10) . ?
C39_5 C40_5 1.556(11) . ?
C39_5 C41_5 1.535(11) . ?
C39_5 C42_5 1.567(11) . ?
C40_5 F24_5 1.380(12) . ?
C40_5 F25_5 1.314(12) . ?
C40_5 F26_5 1.309(11) . ?
C41_5 F27_5 1.369(12) . ?
C41_5 F28_5 1.331(12) . ?
C41_5 F29_5 1.323(11) . ?
C42_5 F30_5 1.312(11) . ?
C42_5 F31_5 1.320(11) . ?
C42_5 F32_5 1.362(11) . ?
O3_6 C39_6 1.325(10) . ?
C39_6 C40_6 1.572(12) . ?
C39_6 C41_6 1.528(11) . ?
C39_6 C42_6 1.549(12) . ?
C40_6 F24_6 1.326(13) . ?
C40_6 F25_6 1.332(13) . ?
C40_6 F26_6 1.329(12) . ?
C41_6 F27_6 1.335(12) . ?
C41_6 F28_6 1.398(12) . ?
C41_6 F29_6 1.289(11) . ?
C42_6 F30_6 1.307(12) . ?
C42_6 F31_6 1.318(12) . ?
C42_6 F32_6 1.346(12) . ?
O3_7 C39_7 1.345(13) . ?
C39_7 C40_7 1.565(14) . ?
C39_7 C41_7 1.529(14) . ?
C39_7 C42_7 1.553(14) . ?
C40_7 F24_7 1.346(15) . ?
C40_7 F25_7 1.324(15) . ?
C40_7 F26_7 1.309(15) . ?
C41_7 F27_7 1.345(15) . ?
C41_7 F28_7 1.353(14) . ?
C41_7 F29_7 1.336(15) . ?
C42_7 F30_7 1.313(15) . ?
C42_7 F31_7 1.315(15) . ?
C42_7 F32_7 1.351(15) . ?
O3_8 C39_8 1.354(13) . ?
C39_8 C40_8 1.563(14) . ?
C39_8 C41_8 1.532(13) . ?
C39_8 C42_8 1.552(14) . ?
C40_8 F24_8 1.322(15) . ?
C40_8 F25_8 1.301(15) . ?
C40_8 F26_8 1.342(14) . ?
C41_8 F27_8 1.338(14) . ?
C41_8 F28_8 1.360(14) . ?
C41_8 F29_8 1.336(15) . ?
C42_8 F30_8 1.299(15) . ?
C42_8 F31_8 1.337(15) . ?
C42_8 F32_8 1.350(14) . ?
O3_9 C39_9 1.351(13) . ?
C39_9 C40_9 1.560(14) . ?
C39_9 C41_9 1.529(13) . ?
C39_9 C42_9 1.559(14) . ?
C40_9 F24_9 1.350(15) . ?
C40_9 F25_9 1.339(15) . ?
C40_9 F26_9 1.319(15) . ?
C41_9 F27_9 1.334(14) . ?
C41_9 F28_9 1.354(14) . ?
C41_9 F29_9 1.335(14) . ?
C42_9 F30_9 1.333(15) . ?
C42_9 F31_9 1.309(14) . ?
C42_9 F32_9 1.341(15) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Dy1 F20 88.97(18) . . ?
O2 Dy1 F21 90.75(18) . . ?
O2 Dy1 F22 90.99(18) . . ?
O2 Dy1 F23 88.33(18) . . ?
O2 Dy1 F19 86.9(5) . . ?
O2 Dy1 F19A 89.8(11) . . ?
F21 Dy1 F20 71.82(17) . . ?
F21 Dy1 F22 72.05(18) . . ?
F21 Dy1 F19 139.5(4) . . ?
F21 Dy1 F19A 148.0(8) . . ?
F22 Dy1 F20 143.86(17) . . ?
F23 Dy1 F20 141.35(19) . . ?
F23 Dy1 F21 146.8(2) . . ?
F23 Dy1 F22 74.7(2) . . ?
F23 Dy1 F19 73.6(4) . . ?
F23 Dy1 F19A 65.3(8) . . ?
O1 Dy1 O2 176.5(2) . . ?
O1 Dy1 F20 94.43(19) . . ?
O1 Dy1 F21 89.5(2) . . ?
O1 Dy1 F22 85.8(2) . . ?
O1 Dy1 F23 89.5(2) . . ?
O1 Dy1 F19 95.1(5) . . ?
O1 Dy1 F19A 91.8(11) . . ?
F19 Dy1 F20 67.7(4) . . ?
F19 Dy1 F22 148.4(4) . . ?
F19A Dy1 F20 76.2(8) . . ?
F19A Dy1 F22 140.0(8) . . ?
C5 O2 Dy1 167.5(5) . . ?
C5A O2 Dy1 167.5(5) . . ?
O2 C5 C6 113.5(8) . . ?
O2 C5 C7 110.3(8) . . ?
O2 C5 C8 106.7(7) . . ?
C6 C5 C8 111.0(9) . . ?
C7 C5 C6 110.1(9) . . ?
C7 C5 C8 104.9(9) . . ?
F10 C6 C5 112.7(10) . . ?
F10 C6 F11 108.5(13) . . ?
F10 C6 F12 110.8(12) . . ?
F11 C6 C5 107.1(12) . . ?
F12 C6 C5 108.0(10) . . ?
F12 C6 F11 109.6(13) . . ?
F13 C7 C5 106.4(11) . . ?
F14 C7 C5 112.9(11) . . ?
F14 C7 F13 109.4(11) . . ?
F14 C7 F15 108.9(12) . . ?
F15 C7 C5 109.5(11) . . ?
F15 C7 F13 109.6(11) . . ?
F16 C8 C5 112.2(10) . . ?
F16 C8 F18 107.7(12) . . ?
F17 C8 C5 112.0(10) . . ?
F17 C8 F16 110.8(14) . . ?
F17 C8 F18 108.2(13) . . ?
F18 C8 C5 105.7(13) . . ?
C15 F20 Dy1 142.2(4) . . ?
C21 F21 Dy1 152.8(6) . . ?
C21A F21 Dy1 163.0(12) . . ?
C27 F22 Dy1 140.2(4) . . ?
C33 F23 Dy1 167.9(5) . . ?
C1 O1 Dy1 172.6(6) . . ?
O1 C1 C2 111.3(7) . . ?
O1 C1 C3 108.8(7) . . ?
O1 C1 C4 109.0(7) . . ?
C3 C1 C2 108.6(7) . . ?
C4 C1 C2 110.1(7) . . ?
C4 C1 C3 109.0(7) . . ?
F1 C2 F2 109.6(8) . . ?
F1 C2 F3 109.7(9) . . ?
F1 C2 C1 114.7(8) . . ?
F2 C2 C1 108.0(8) . . ?
F3 C2 F2 104.8(8) . . ?
F3 C2 C1 109.6(8) . . ?
F4 C3 F5 106.7(7) . . ?
F4 C3 C1 113.1(7) . . ?
F5 C3 C1 109.6(7) . . ?
F6 C3 F4 108.6(8) . . ?
F6 C3 F5 107.3(8) . . ?
F6 C3 C1 111.3(7) . . ?
F7 C4 F9 107.3(7) . . ?
F7 C4 C1 113.0(7) . . ?
F8 C4 F7 108.9(8) . . ?
F8 C4 F9 105.7(7) . . ?
F8 C4 C1 112.4(8) . . ?
F9 C4 C1 109.3(7) . . ?
C9 F19 Dy1 144.6(16) . . ?
F19 C9 C10 119.3(8) . . ?
F19 C9 C14 120.7(8) . . ?
C10 C9 C14 120.0 . . ?
C9 C10 H10 120.0 . . ?
C9 C10 C11 120.0 . . ?
C11 C10 H10 120.0 . . ?
C10 C11 H11 120.0 . . ?
C12 C11 C10 120.0 . . ?
C12 C11 H11 120.0 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 120.0 . . ?
C13 C12 H12 120.0 . . ?
C12 C13 H13 120.0 . . ?
C12 C13 C14 120.0 . . ?
C14 C13 H13 120.0 . . ?
C9 C14 H14 120.0 . . ?
C13 C14 C9 120.0 . . ?
C13 C14 H14 120.0 . . ?
F20 C15 C16 120.7(4) . . ?
F20 C15 C20 119.2(4) . . ?
C16 C15 C20 120.0 . . ?
C15 C16 H16 120.0 . . ?
C17 C16 C15 120.0 . . ?
C17 C16 H16 120.0 . . ?
C16 C17 H17 120.0 . . ?
C18 C17 C16 120.0 . . ?
C18 C17 H17 120.0 . . ?
C17 C18 H18 120.0 . . ?
C17 C18 C19 120.0 . . ?
C19 C18 H18 120.0 . . ?
C18 C19 H19 120.0 . . ?
C20 C19 C18 120.0 . . ?
C20 C19 H19 120.0 . . ?
C15 C20 H20 120.0 . . ?
C19 C20 C15 120.0 . . ?
C19 C20 H20 120.0 . . ?
F21 C21 C22 119.9(6) . . ?
F21 C21 C26 120.0(6) . . ?
C22 C21 C26 120.0 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 C21 120.0 . . ?
C23 C22 H22 120.0 . . ?
C22 C23 H23 120.0 . . ?
C22 C23 C24 120.0 . . ?
C24 C23 H23 120.0 . . ?
C23 C24 H24 120.0 . . ?
C23 C24 C25 120.0 . . ?
C25 C24 H24 120.0 . . ?
C24 C25 H25 120.0 . . ?
C26 C25 C24 120.0 . . ?
C26 C25 H25 120.0 . . ?
C21 C26 H26 120.0 . . ?
C25 C26 C21 120.0 . . ?
C25 C26 H26 120.0 . . ?
F22 C27 C28 120.4(4) . . ?
F22 C27 C32 119.6(4) . . ?
C28 C27 C32 120.0 . . ?
C27 C28 H28 120.0 . . ?
C29 C28 C27 120.0 . . ?
C29 C28 H28 120.0 . . ?
C28 C29 H29 120.0 . . ?
C28 C29 C30 120.0 . . ?
C30 C29 H29 120.0 . . ?
C29 C30 H30 120.0 . . ?
C29 C30 C31 120.0 . . ?
C31 C30 H30 120.0 . . ?
C30 C31 H31 120.0 . . ?
C30 C31 C32 120.0 . . ?
C32 C31 H31 120.0 . . ?
C27 C32 H32 120.0 . . ?
C31 C32 C27 120.0 . . ?
C31 C32 H32 120.0 . . ?
F23 C33 C34 120.0(5) . . ?
F23 C33 C38 119.9(5) . . ?
C34 C33 C38 120.0 . . ?
C33 C34 H34 120.0 . . ?
C33 C34 C35 120.0 . . ?
C35 C34 H34 120.0 . . ?
C34 C35 H35 120.0 . . ?
C34 C35 C36 120.0 . . ?
C36 C35 H35 120.0 . . ?
C35 C36 H36 120.0 . . ?
C37 C36 C35 120.0 . . ?
C37 C36 H36 120.0 . . ?
C36 C37 H37 120.0 . . ?
C38 C37 C36 120.0 . . ?
C38 C37 H37 120.0 . . ?
C33 C38 H38 120.0 . . ?
C37 C38 C33 120.0 . . ?
C37 C38 H38 120.0 . . ?
O3_1 Al1 F24 108.8(2) . . ?
O3_1 Al1 O3_3 112.4(3) . . ?
O3_2 Al1 F24 106.7(2) . . ?
O3_2 Al1 O3_1 111.8(3) . . ?
O3_2 Al1 O3_3 115.6(3) . . ?
O3_3 Al1 F24 100.5(2) . . ?
Al1 F24 Al1 180.0 3_665 . ?
O3_4 Al2 F25 105.6(6) . . ?
O3_4 Al2 O3_5 112.2(6) . . ?
O3_4 Al2 O3_6 112.7(8) . . ?
O3_5 Al2 F25 103.0(4) . . ?
O3_6 Al2 F25 103.4(6) . . ?
O3_6 Al2 O3_5 118.2(7) . . ?
O3_7 Al2 F25 102.1(12) . . ?
O3_8 Al2 F25 101.8(12) . . ?
O3_8 Al2 O3_7 118.2(18) . . ?
O3_9 Al2 F25 110.5(9) . . ?
O3_9 Al2 O3_7 108.1(16) . . ?
O3_9 Al2 O3_8 115.0(14) . . ?
Al2 F25 Al2 180.0 . 3_565 ?
C9A F19A Dy1 151(3) . . ?
F19A C9A C10A 123.1(17) . . ?
F19A C9A C14A 116.6(17) . . ?
C10A C9A C14A 120.0 . . ?
C9A C10A H10A 120.0 . . ?
C9A C10A C11A 120.0 . . ?
C11A C10A H10A 120.0 . . ?
C10A C11A H11A 120.0 . . ?
C12A C11A C10A 120.0 . . ?
C12A C11A H11A 120.0 . . ?
C11A C12A H12A 120.0 . . ?
C13A C12A C11A 120.0 . . ?
C13A C12A H12A 120.0 . . ?
C12A C13A H13A 120.0 . . ?
C12A C13A C14A 120.0 . . ?
C14A C13A H13A 120.0 . . ?
C9A C14A H14A 120.0 . . ?
C13A C14A C9A 120.0 . . ?
C13A C14A H14A 120.0 . . ?
F21 C21A C22A 117.9(15) . . ?
F21 C21A C26A 122.1(15) . . ?
C22A C21A C26A 120.0 . . ?
C21A C22A H22A 120.0 . . ?
C23A C22A C21A 120.0 . . ?
C23A C22A H22A 120.0 . . ?
C22A C23A H23A 120.0 . . ?
C24A C23A C22A 120.0 . . ?
C24A C23A H23A 120.0 . . ?
C23A C24A H24A 120.0 . . ?
C25A C24A C23A 120.0 . . ?
C25A C24A H24A 120.0 . . ?
C24A C25A H25A 120.0 . . ?
C24A C25A C26A 120.0 . . ?
C26A C25A H25A 120.0 . . ?
C21A C26A H26A 120.0 . . ?
C25A C26A C21A 120.0 . . ?
C25A C26A H26A 120.0 . . ?
O2 C5A C6A 99.9(10) . . ?
O2 C5A C7A 116.3(12) . . ?
O2 C5A C8A 117.4(11) . . ?
C7A C5A C6A 103.2(13) . . ?
C7A C5A C8A 113.2(14) . . ?
C8A C5A C6A 103.6(13) . . ?
F10A C6A C5A 115.2(17) . . ?
F10A C6A F11A 108(2) . . ?
F10A C6A F12A 101(2) . . ?
F11A C6A C5A 106.2(19) . . ?
F12A C6A C5A 113.5(16) . . ?
F12A C6A F11A 112(2) . . ?
F13A C7A C5A 108.8(18) . . ?
F13A C7A F15A 105(2) . . ?
F14A C7A C5A 114.4(19) . . ?
F14A C7A F13A 117(2) . . ?
F14A C7A F15A 103(2) . . ?
F15A C7A C5A 107.0(19) . . ?
F16A C8A C5A 105.6(17) . . ?
F16A C8A F18A 110(2) . . ?
F17A C8A C5A 113.9(18) . . ?
F17A C8A F16A 112(3) . . ?
F17A C8A F18A 104(2) . . ?
F18A C8A C5A 111.6(19) . . ?
C39_1 O3_1 Al1 149.5(5) . . ?
O3_1 C39_1 C40_1 111.1(6) . . ?
O3_1 C39_1 C41_1 107.6(6) . . ?
O3_1 C39_1 C42_1 110.0(6) . . ?
C41_1 C39_1 C40_1 111.1(6) . . ?
C41_1 C39_1 C42_1 109.0(6) . . ?
C42_1 C39_1 C40_1 108.0(6) . . ?
F24_1 C40_1 C39_1 107.8(6) . . ?
F25_1 C40_1 C39_1 111.5(6) . . ?
F25_1 C40_1 F24_1 108.9(7) . . ?
F26_1 C40_1 C39_1 111.2(7) . . ?
F26_1 C40_1 F24_1 108.1(7) . . ?
F26_1 C40_1 F25_1 109.2(7) . . ?
F27_1 C41_1 C39_1 110.5(7) . . ?
F27_1 C41_1 F28_1 108.1(7) . . ?
F27_1 C41_1 F29_1 108.0(7) . . ?
F28_1 C41_1 C39_1 111.2(7) . . ?
F29_1 C41_1 C39_1 111.7(7) . . ?
F29_1 C41_1 F28_1 107.2(7) . . ?
F30_1 C42_1 C39_1 111.6(7) . . ?
F30_1 C42_1 F31_1 105.2(7) . . ?
F31_1 C42_1 C39_1 111.3(6) . . ?
F32_1 C42_1 C39_1 112.5(7) . . ?
F32_1 C42_1 F30_1 108.7(7) . . ?
F32_1 C42_1 F31_1 107.2(7) . . ?
C39_2 O3_2 Al1 152.4(5) . . ?
O3_2 C39_2 C40_2 108.7(5) . . ?
O3_2 C39_2 C41_2 108.9(6) . . ?
O3_2 C39_2 C42_2 110.6(6) . . ?
C41_2 C39_2 C40_2 109.9(6) . . ?
C42_2 C39_2 C40_2 108.6(6) . . ?
C42_2 C39_2 C41_2 110.1(6) . . ?
F24_2 C40_2 C39_2 110.5(6) . . ?
F25_2 C40_2 C39_2 111.3(6) . . ?
F25_2 C40_2 F24_2 107.2(6) . . ?
F25_2 C40_2 F26_2 108.4(7) . . ?
F26_2 C40_2 C39_2 112.3(6) . . ?
F26_2 C40_2 F24_2 106.8(6) . . ?
F27_2 C41_2 C39_2 113.3(6) . . ?
F27_2 C41_2 F28_2 106.8(6) . . ?
F28_2 C41_2 C39_2 110.9(6) . . ?
F29_2 C41_2 C39_2 112.4(6) . . ?
F29_2 C41_2 F27_2 106.7(6) . . ?
F29_2 C41_2 F28_2 106.4(7) . . ?
F30_2 C42_2 C39_2 110.8(6) . . ?
F30_2 C42_2 F31_2 106.9(7) . . ?
F30_2 C42_2 F32_2 107.9(7) . . ?
F31_2 C42_2 C39_2 110.9(6) . . ?
F31_2 C42_2 F32_2 107.2(6) . . ?
F32_2 C42_2 C39_2 112.9(6) . . ?
C39_3 O3_3 Al1 147.9(5) . . ?
O3_3 C39_3 C40_3 110.4(6) . . ?
O3_3 C39_3 C41_3 108.1(6) . . ?
O3_3 C39_3 C42_3 111.2(6) . . ?
C41_3 C39_3 C40_3 110.7(6) . . ?
C41_3 C39_3 C42_3 108.0(6) . . ?
C42_3 C39_3 C40_3 108.5(7) . . ?
F24_3 C40_3 C39_3 110.7(7) . . ?
F24_3 C40_3 F25_3 106.2(8) . . ?
F24_3 C40_3 F26_3 110.3(8) . . ?
F25_3 C40_3 C39_3 109.5(7) . . ?
F26_3 C40_3 C39_3 113.5(7) . . ?
F26_3 C40_3 F25_3 106.3(8) . . ?
F27_3 C41_3 C39_3 110.0(7) . . ?
F28_3 C41_3 C39_3 113.0(7) . . ?
F28_3 C41_3 F27_3 105.7(8) . . ?
F28_3 C41_3 F29_3 108.1(7) . . ?
F29_3 C41_3 C39_3 113.4(7) . . ?
F29_3 C41_3 F27_3 106.1(7) . . ?
F30_3 C42_3 C39_3 111.2(7) . . ?
F31_3 C42_3 C39_3 112.6(7) . . ?
F31_3 C42_3 F30_3 104.1(9) . . ?
F31_3 C42_3 F32_3 110.2(8) . . ?
F32_3 C42_3 C39_3 114.8(7) . . ?
F32_3 C42_3 F30_3 103.0(7) . . ?
C39_4 O3_4 Al2 149.5(11) . . ?
O3_4 C39_4 C40_4 109.0(9) . . ?
O3_4 C39_4 C41_4 109.0(10) . . ?
O3_4 C39_4 C42_4 107.4(9) . . ?
C40_4 C39_4 C42_4 110.1(9) . . ?
C41_4 C39_4 C40_4 112.2(9) . . ?
C41_4 C39_4 C42_4 109.1(9) . . ?
F24_4 C40_4 C39_4 102.6(10) . . ?
F25_4 C40_4 C39_4 110.4(10) . . ?
F25_4 C40_4 F24_4 113.3(13) . . ?
F26_4 C40_4 C39_4 116.2(11) . . ?
F26_4 C40_4 F24_4 104.1(12) . . ?
F26_4 C40_4 F25_4 110.0(11) . . ?
F27_4 C41_4 C39_4 112.1(10) . . ?
F27_4 C41_4 F29_4 106.5(11) . . ?
F28_4 C41_4 C39_4 109.0(10) . . ?
F28_4 C41_4 F27_4 108.0(12) . . ?
F28_4 C41_4 F29_4 112.3(13) . . ?
F29_4 C41_4 C39_4 109.0(9) . . ?
F30_4 C42_4 C39_4 108.3(11) . . ?
F30_4 C42_4 F31_4 114.8(14) . . ?
F30_4 C42_4 F32_4 109.8(13) . . ?
F31_4 C42_4 C39_4 104.4(10) . . ?
F32_4 C42_4 C39_4 110.1(11) . . ?
F32_4 C42_4 F31_4 109.2(12) . . ?
C39_5 O3_5 Al2 148.9(8) . . ?
O3_5 C39_5 C40_5 108.2(8) . . ?
O3_5 C39_5 C41_5 110.9(9) . . ?
O3_5 C39_5 C42_5 109.0(8) . . ?
C40_5 C39_5 C42_5 108.2(8) . . ?
C41_5 C39_5 C40_5 110.7(9) . . ?
C41_5 C39_5 C42_5 109.8(8) . . ?
F24_5 C40_5 C39_5 106.7(9) . . ?
F25_5 C40_5 C39_5 110.9(9) . . ?
F25_5 C40_5 F24_5 109.2(10) . . ?
F26_5 C40_5 C39_5 112.4(9) . . ?
F26_5 C40_5 F24_5 109.7(10) . . ?
F26_5 C40_5 F25_5 108.1(10) . . ?
F27_5 C41_5 C39_5 107.4(10) . . ?
F28_5 C41_5 C39_5 109.4(11) . . ?
F28_5 C41_5 F27_5 108.4(11) . . ?
F29_5 C41_5 C39_5 113.5(11) . . ?
F29_5 C41_5 F27_5 109.5(12) . . ?
F29_5 C41_5 F28_5 108.4(12) . . ?
F30_5 C42_5 C39_5 112.2(8) . . ?
F30_5 C42_5 F31_5 109.9(10) . . ?
F30_5 C42_5 F32_5 107.1(9) . . ?
F31_5 C42_5 C39_5 111.9(9) . . ?
F31_5 C42_5 F32_5 102.8(9) . . ?
F32_5 C42_5 C39_5 112.5(9) . . ?
C39_6 O3_6 Al2 152.1(12) . . ?
O3_6 C39_6 C40_6 109.9(10) . . ?
O3_6 C39_6 C41_6 113.1(10) . . ?
O3_6 C39_6 C42_6 107.2(9) . . ?
C41_6 C39_6 C40_6 108.4(9) . . ?
C41_6 C39_6 C42_6 108.4(8) . . ?
C42_6 C39_6 C40_6 109.8(9) . . ?
F24_6 C40_6 C39_6 107.2(10) . . ?
F24_6 C40_6 F25_6 109.9(13) . . ?
F24_6 C40_6 F26_6 113.5(13) . . ?
F25_6 C40_6 C39_6 109.2(11) . . ?
F26_6 C40_6 C39_6 106.8(11) . . ?
F26_6 C40_6 F25_6 110.1(13) . . ?
F27_6 C41_6 C39_6 111.4(11) . . ?
F27_6 C41_6 F28_6 106.0(11) . . ?
F28_6 C41_6 C39_6 109.1(9) . . ?
F29_6 C41_6 C39_6 113.9(10) . . ?
F29_6 C41_6 F27_6 106.5(11) . . ?
F29_6 C41_6 F28_6 109.6(10) . . ?
F30_6 C42_6 C39_6 112.4(10) . . ?
F30_6 C42_6 F31_6 106.9(11) . . ?
F30_6 C42_6 F32_6 104.6(11) . . ?
F31_6 C42_6 C39_6 111.5(10) . . ?
F31_6 C42_6 F32_6 106.7(12) . . ?
F32_6 C42_6 C39_6 114.2(11) . . ?
C39_7 O3_7 Al2 151(2) . . ?
O3_7 C39_7 C40_7 108.1(17) . . ?
O3_7 C39_7 C41_7 110.7(17) . . ?
O3_7 C39_7 C42_7 110.5(16) . . ?
C41_7 C39_7 C40_7 112.0(13) . . ?
C41_7 C39_7 C42_7 108.5(13) . . ?
C42_7 C39_7 C40_7 107.0(12) . . ?
F24_7 C40_7 C39_7 107.2(16) . . ?
F25_7 C40_7 C39_7 105.9(15) . . ?
F25_7 C40_7 F24_7 113.3(19) . . ?
F26_7 C40_7 C39_7 117.2(16) . . ?
F26_7 C40_7 F24_7 103.9(18) . . ?
F26_7 C40_7 F25_7 110(2) . . ?
F27_7 C41_7 C39_7 105.8(15) . . ?
F27_7 C41_7 F28_7 112.0(19) . . ?
F28_7 C41_7 C39_7 115.0(17) . . ?
F29_7 C41_7 C39_7 111.9(18) . . ?
F29_7 C41_7 F27_7 109.7(19) . . ?
F29_7 C41_7 F28_7 102.5(18) . . ?
F30_7 C42_7 C39_7 107.5(15) . . ?
F30_7 C42_7 F31_7 110.9(19) . . ?
F30_7 C42_7 F32_7 110.0(19) . . ?
F31_7 C42_7 C39_7 112.6(16) . . ?
F31_7 C42_7 F32_7 107.2(19) . . ?
F32_7 C42_7 C39_7 108.6(17) . . ?
C39_8 O3_8 Al2 154(2) . . ?
O3_8 C39_8 C40_8 108.9(16) . . ?
O3_8 C39_8 C41_8 110.3(16) . . ?
O3_8 C39_8 C42_8 110.6(16) . . ?
C41_8 C39_8 C40_8 112.4(13) . . ?
C41_8 C39_8 C42_8 109.0(12) . . ?
C42_8 C39_8 C40_8 105.5(12) . . ?
F24_8 C40_8 C39_8 111.2(16) . . ?
F24_8 C40_8 F26_8 112.7(18) . . ?
F25_8 C40_8 C39_8 118.4(16) . . ?
F25_8 C40_8 F24_8 102.5(18) . . ?
F25_8 C40_8 F26_8 104.0(17) . . ?
F26_8 C40_8 C39_8 107.9(14) . . ?
F27_8 C41_8 C39_8 114.3(14) . . ?
F27_8 C41_8 F28_8 106.3(15) . . ?
F28_8 C41_8 C39_8 114.7(13) . . ?
F29_8 C41_8 C39_8 114.4(16) . . ?
F29_8 C41_8 F27_8 103.8(16) . . ?
F29_8 C41_8 F28_8 102.0(16) . . ?
F30_8 C42_8 C39_8 113.5(16) . . ?
F30_8 C42_8 F31_8 104.6(18) . . ?
F30_8 C42_8 F32_8 110.5(19) . . ?
F31_8 C42_8 C39_8 113.5(17) . . ?
F31_8 C42_8 F32_8 103.8(17) . . ?
F32_8 C42_8 C39_8 110.4(16) . . ?
C39_9 O3_9 Al2 148.4(19) . . ?
O3_9 C39_9 C40_9 106.2(14) . . ?
O3_9 C39_9 C41_9 109.3(15) . . ?
O3_9 C39_9 C42_9 109.4(13) . . ?
C41_9 C39_9 C40_9 121.5(13) . . ?
C41_9 C39_9 C42_9 104.5(12) . . ?
C42_9 C39_9 C40_9 105.6(12) . . ?
F24_9 C40_9 C39_9 109.6(14) . . ?
F25_9 C40_9 C39_9 104.8(14) . . ?
F25_9 C40_9 F24_9 116.8(18) . . ?
F26_9 C40_9 C39_9 112.6(16) . . ?
F26_9 C40_9 F24_9 101.0(16) . . ?
F26_9 C40_9 F25_9 112.2(19) . . ?
F27_9 C41_9 C39_9 107.6(16) . . ?
F27_9 C41_9 F28_9 108.6(19) . . ?
F27_9 C41_9 F29_9 108.2(16) . . ?
F28_9 C41_9 C39_9 107.9(17) . . ?
F29_9 C41_9 C39_9 116.6(16) . . ?
F29_9 C41_9 F28_9 107.7(17) . . ?
F30_9 C42_9 C39_9 107.7(14) . . ?
F30_9 C42_9 F32_9 107.5(16) . . ?
F31_9 C42_9 C39_9 111.7(14) . . ?
F31_9 C42_9 F30_9 111.3(17) . . ?
F31_9 C42_9 F32_9 108.0(16) . . ?
F32_9 C42_9 C39_9 110.6(14) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 O2 C5 C6 -80(2) . . . . ?
Dy1 O2 C5 C7 156(2) . . . . ?
Dy1 O2 C5 C8 43(3) . . . . ?
Dy1 O2 C5A C6A -96(2) . . . . ?
Dy1 O2 C5A C7A 154(2) . . . . ?
Dy1 O2 C5A C8A 15(3) . . . . ?
Dy1 F20 C15 C16 82.0(7) . . . . ?
Dy1 F20 C15 C20 -94.9(7) . . . . ?
Dy1 F21 C21 C22 55.0(14) . . . . ?
Dy1 F21 C21 C26 -128.2(9) . . . . ?
Dy1 F21 C21A C22A 112(3) . . . . ?
Dy1 F21 C21A C26A -67(4) . . . . ?
Dy1 F22 C27 C28 85.8(7) . . . . ?
Dy1 F22 C27 C32 -91.8(6) . . . . ?
Dy1 F23 C33 C34 -33(3) . . . . ?
Dy1 F23 C33 C38 144(2) . . . . ?
Dy1 F19 C9 C10 -73(2) . . . . ?
Dy1 F19 C9 C14 109.3(15) . . . . ?
Dy1 F19A C9A C10A -96(4) . . . . ?
Dy1 F19A C9A C14A 78(6) . . . . ?
O2 C5 C6 F10 161.5(10) . . . . ?
O2 C5 C6 F11 42.3(14) . . . . ?
O2 C5 C6 F12 -75.7(11) . . . . ?
O2 C5 C7 F13 -61.2(11) . . . . ?
O2 C5 C7 F14 178.8(10) . . . . ?
O2 C5 C7 F15 57.2(13) . . . . ?
O2 C5 C8 F16 164.4(12) . . . . ?
O2 C5 C8 F17 39.1(14) . . . . ?
O2 C5 C8 F18 -78.5(12) . . . . ?
O2 C5A C6A F10A -162(2) . . . . ?
O2 C5A C6A F11A 78(2) . . . . ?
O2 C5A C6A F12A -45.5(19) . . . . ?
O2 C5A C7A F13A -70(2) . . . . ?
O2 C5A C7A F14A 157.5(19) . . . . ?
O2 C5A C7A F15A 44(2) . . . . ?
O2 C5A C8A F16A 91(2) . . . . ?
O2 C5A C8A F17A -32(3) . . . . ?
O2 C5A C8A F18A -149.6(16) . . . . ?
C6 C5 C7 F13 172.8(10) . . . . ?
C6 C5 C7 F14 52.8(14) . . . . ?
C6 C5 C7 F15 -68.8(13) . . . . ?
C6 C5 C8 F16 -71.5(16) . . . . ?
C6 C5 C8 F17 163.2(11) . . . . ?
C6 C5 C8 F18 45.6(13) . . . . ?
C7 C5 C6 F10 -74.3(14) . . . . ?
C7 C5 C6 F11 166.5(12) . . . . ?
C7 C5 C6 F12 48.5(13) . . . . ?
C7 C5 C8 F16 47.5(15) . . . . ?
C7 C5 C8 F17 -77.8(13) . . . . ?
C7 C5 C8 F18 164.5(11) . . . . ?
C8 C5 C6 F10 41.4(15) . . . . ?
C8 C5 C6 F11 -77.8(14) . . . . ?
C8 C5 C6 F12 164.2(10) . . . . ?
C8 C5 C7 F13 53.2(12) . . . . ?
C8 C5 C7 F14 -66.7(13) . . . . ?
C8 C5 C7 F15 171.7(12) . . . . ?
F20 C15 C16 C17 -176.9(6) . . . . ?
F20 C15 C20 C19 176.9(6) . . . . ?
F21 C21 C22 C23 176.8(10) . . . . ?
F21 C21 C26 C25 -176.8(10) . . . . ?
F21 C21A C22A C23A -179(2) . . . . ?
F21 C21A C26A C25A 179(2) . . . . ?
F22 C27 C28 C29 -177.6(6) . . . . ?
F22 C27 C32 C31 177.6(6) . . . . ?
F23 C33 C34 C35 177.3(7) . . . . ?
F23 C33 C38 C37 -177.3(7) . . . . ?
O1 C1 C2 F1 166.7(8) . . . . ?
O1 C1 C2 F2 44.2(10) . . . . ?
O1 C1 C2 F3 -69.4(9) . . . . ?
O1 C1 C3 F4 166.4(7) . . . . ?
O1 C1 C3 F5 47.5(10) . . . . ?
O1 C1 C3 F6 -71.1(9) . . . . ?
O1 C1 C4 F7 168.1(7) . . . . ?
O1 C1 C4 F8 44.4(9) . . . . ?
O1 C1 C4 F9 -72.6(9) . . . . ?
C2 C1 C3 F4 45.1(10) . . . . ?
C2 C1 C3 F5 -73.8(9) . . . . ?
C2 C1 C3 F6 167.6(7) . . . . ?
C2 C1 C4 F7 -69.5(10) . . . . ?
C2 C1 C4 F8 166.8(7) . . . . ?
C2 C1 C4 F9 49.8(9) . . . . ?
C3 C1 C2 F1 -73.5(10) . . . . ?
C3 C1 C2 F2 163.9(8) . . . . ?
C3 C1 C2 F3 50.3(9) . . . . ?
C3 C1 C4 F7 49.5(10) . . . . ?
C3 C1 C4 F8 -74.2(9) . . . . ?
C3 C1 C4 F9 168.8(7) . . . . ?
C4 C1 C2 F1 45.7(10) . . . . ?
C4 C1 C2 F2 -76.8(9) . . . . ?
C4 C1 C2 F3 169.6(7) . . . . ?
C4 C1 C3 F4 -74.9(10) . . . . ?
C4 C1 C3 F5 166.2(8) . . . . ?
C4 C1 C3 F6 47.7(10) . . . . ?
F19 C9 C10 C11 -178.1(19) . . . . ?
F19 C9 C14 C13 178.1(19) . . . . ?
C9 C10 C11 C12 0.0 . . . . ?
C10 C9 C14 C13 0.0 . . . . ?
C10 C11 C12 C13 0.0 . . . . ?
C11 C12 C13 C14 0.0 . . . . ?
C12 C13 C14 C9 0.0 . . . . ?
C14 C9 C10 C11 0.0 . . . . ?
C15 C16 C17 C18 0.0 . . . . ?
C16 C15 C20 C19 0.0 . . . . ?
C16 C17 C18 C19 0.0 . . . . ?
C17 C18 C19 C20 0.0 . . . . ?
C18 C19 C20 C15 0.0 . . . . ?
C20 C15 C16 C17 0.0 . . . . ?
C21 C22 C23 C24 0.0 . . . . ?
C22 C21 C26 C25 0.0 . . . . ?
C22 C23 C24 C25 0.0 . . . . ?
C23 C24 C25 C26 0.0 . . . . ?
C24 C25 C26 C21 0.0 . . . . ?
C26 C21 C22 C23 0.0 . . . . ?
C27 C28 C29 C30 0.0 . . . . ?
C28 C27 C32 C31 0.0 . . . . ?
C28 C29 C30 C31 0.0 . . . . ?
C29 C30 C31 C32 0.0 . . . . ?
C30 C31 C32 C27 0.0 . . . . ?
C32 C27 C28 C29 0.0 . . . . ?
C33 C34 C35 C36 0.0 . . . . ?
C34 C33 C38 C37 0.0 . . . . ?
C34 C35 C36 C37 0.0 . . . . ?
C35 C36 C37 C38 0.0 . . . . ?
C36 C37 C38 C33 0.0 . . . . ?
C38 C33 C34 C35 0.0 . . . . ?
Al1 O3_1 C39_1 C40_1 45.0(12) . . . . ?
Al1 O3_1 C39_1 C41_1 166.8(8) . . . . ?
Al1 O3_1 C39_1 C42_1 -74.6(12) . . . . ?
Al1 O3_2 C39_2 C40_2 118.1(10) . . . . ?
Al1 O3_2 C39_2 C41_2 -122.2(10) . . . . ?
Al1 O3_2 C39_2 C42_2 -1.1(13) . . . . ?
Al1 O3_3 C39_3 C40_3 79.1(11) . . . . ?
Al1 O3_3 C39_3 C41_3 -159.7(8) . . . . ?
Al1 O3_3 C39_3 C42_3 -41.4(12) . . . . ?
F24 Al1 O3_1 C39_1 -106.9(10) . . . . ?
F24 Al1 O3_2 C39_2 -43.3(11) . . . . ?
F24 Al1 O3_3 C39_3 -162.5(9) . . . . ?
Al2 O3_4 C39_4 C40_4 -53(3) . . . . ?
Al2 O3_4 C39_4 C41_4 69(3) . . . . ?
Al2 O3_4 C39_4 C42_4 -173(2) . . . . ?
Al2 O3_5 C39_5 C40_5 -162.5(15) . . . . ?
Al2 O3_5 C39_5 C41_5 -41(2) . . . . ?
Al2 O3_5 C39_5 C42_5 80.1(19) . . . . ?
Al2 O3_6 C39_6 C40_6 -72(3) . . . . ?
Al2 O3_6 C39_6 C41_6 49(3) . . . . ?
Al2 O3_6 C39_6 C42_6 169(3) . . . . ?
Al2 O3_7 C39_7 C40_7 -103(6) . . . . ?
Al2 O3_7 C39_7 C41_7 20(7) . . . . ?
Al2 O3_7 C39_7 C42_7 140(6) . . . . ?
Al2 O3_8 C39_8 C40_8 -123(6) . . . . ?
Al2 O3_8 C39_8 C41_8 1(7) . . . . ?
Al2 O3_8 C39_8 C42_8 122(6) . . . . ?
Al2 O3_9 C39_9 C40_9 -70(4) . . . . ?
Al2 O3_9 C39_9 C41_9 63(4) . . . . ?
Al2 O3_9 C39_9 C42_9 177(3) . . . . ?
F25 Al2 O3_4 C39_4 113(2) . . . . ?
F25 Al2 O3_5 C39_5 82.6(17) . . . . ?
F25 Al2 O3_6 C39_6 150(3) . . . . ?
F25 Al2 O3_7 C39_7 156(6) . . . . ?
F25 Al2 O3_8 C39_8 135(6) . . . . ?
F25 Al2 O3_9 C39_9 -8(4) . . . . ?
F19A C9A C10A C11A 173(5) . . . . ?
F19A C9A C14A C13A -174(5) . . . . ?
C9A C10A C11A C12A 0.0 . . . . ?
C10A C9A C14A C13A 0.0 . . . . ?
C10A C11A C12A C13A 0.0 . . . . ?
C11A C12A C13A C14A 0.0 . . . . ?
C12A C13A C14A C9A 0.0 . . . . ?
C14A C9A C10A C11A 0.0 . . . . ?
C21A C22A C23A C24A 0.0 . . . . ?
C22A C21A C26A C25A 0.0 . . . . ?
C22A C23A C24A C25A 0.0 . . . . ?
C23A C24A C25A C26A 0.0 . . . . ?
C24A C25A C26A C21A 0.0 . . . . ?
C26A C21A C22A C23A 0.0 . . . . ?
C6A C5A C7A F13A -178(2) . . . . ?
C6A C5A C7A F14A 49(2) . . . . ?
C6A C5A C7A F15A -64(2) . . . . ?
C6A C5A C8A F16A -160(2) . . . . ?
C6A C5A C8A F17A 77(3) . . . . ?
C6A C5A C8A F18A -41(2) . . . . ?
C7A C5A C6A F10A -42(2) . . . . ?
C7A C5A C6A F11A -162(2) . . . . ?
C7A C5A C6A F12A 75(2) . . . . ?
C7A C5A C8A F16A -49(3) . . . . ?
C7A C5A C8A F17A -172(2) . . . . ?
C7A C5A C8A F18A 70(2) . . . . ?
C8A C5A C6A F10A 77(2) . . . . ?
C8A C5A C6A F11A -43(2) . . . . ?
C8A C5A C6A F12A -167.1(18) . . . . ?
C8A C5A C7A F13A 71(2) . . . . ?
C8A C5A C7A F14A -62(3) . . . . ?
C8A C5A C7A F15A -176(2) . . . . ?
O3_1 Al1 O3_2 C39_2 -162.2(10) . . . . ?
O3_1 Al1 O3_3 C39_3 -47.0(10) . . . . ?
O3_1 C39_1 C40_1 F24_1 39.9(8) . . . . ?
O3_1 C39_1 C40_1 F25_1 -79.6(8) . . . . ?
O3_1 C39_1 C40_1 F26_1 158.3(6) . . . . ?
O3_1 C39_1 C41_1 F27_1 -76.8(8) . . . . ?
O3_1 C39_1 C41_1 F28_1 163.2(7) . . . . ?
O3_1 C39_1 C41_1 F29_1 43.5(9) . . . . ?
O3_1 C39_1 C42_1 F30_1 -71.9(8) . . . . ?
O3_1 C39_1 C42_1 F31_1 45.3(9) . . . . ?
O3_1 C39_1 C42_1 F32_1 165.6(6) . . . . ?
C40_1 C39_1 C41_1 F27_1 45.0(9) . . . . ?
C40_1 C39_1 C41_1 F28_1 -75.0(9) . . . . ?
C40_1 C39_1 C41_1 F29_1 165.3(7) . . . . ?
C40_1 C39_1 C42_1 F30_1 166.7(6) . . . . ?
C40_1 C39_1 C42_1 F31_1 -76.1(8) . . . . ?
C40_1 C39_1 C42_1 F32_1 44.2(9) . . . . ?
C41_1 C39_1 C40_1 F24_1 -79.9(8) . . . . ?
C41_1 C39_1 C40_1 F25_1 160.6(7) . . . . ?
C41_1 C39_1 C40_1 F26_1 38.5(9) . . . . ?
C41_1 C39_1 C42_1 F30_1 45.8(9) . . . . ?
C41_1 C39_1 C42_1 F31_1 163.0(7) . . . . ?
C41_1 C39_1 C42_1 F32_1 -76.6(8) . . . . ?
C42_1 C39_1 C40_1 F24_1 160.6(6) . . . . ?
C42_1 C39_1 C40_1 F25_1 41.1(8) . . . . ?
C42_1 C39_1 C40_1 F26_1 -81.0(8) . . . . ?
C42_1 C39_1 C41_1 F27_1 163.9(7) . . . . ?
C42_1 C39_1 C41_1 F28_1 44.0(9) . . . . ?
C42_1 C39_1 C41_1 F29_1 -75.8(8) . . . . ?
O3_2 Al1 O3_1 C39_1 10.8(11) . . . . ?
O3_2 Al1 O3_3 C39_3 83.1(10) . . . . ?
O3_2 C39_2 C40_2 F24_2 77.5(7) . . . . ?
O3_2 C39_2 C40_2 F25_2 -41.5(8) . . . . ?
O3_2 C39_2 C40_2 F26_2 -163.3(6) . . . . ?
O3_2 C39_2 C41_2 F27_2 -161.5(6) . . . . ?
O3_2 C39_2 C41_2 F28_2 -41.5(8) . . . . ?
O3_2 C39_2 C41_2 F29_2 77.4(8) . . . . ?
O3_2 C39_2 C42_2 F30_2 -43.6(8) . . . . ?
O3_2 C39_2 C42_2 F31_2 74.9(7) . . . . ?
O3_2 C39_2 C42_2 F32_2 -164.7(6) . . . . ?
C40_2 C39_2 C41_2 F27_2 -42.5(9) . . . . ?
C40_2 C39_2 C41_2 F28_2 77.4(8) . . . . ?
C40_2 C39_2 C41_2 F29_2 -163.6(6) . . . . ?
C40_2 C39_2 C42_2 F30_2 -162.8(6) . . . . ?
C40_2 C39_2 C42_2 F31_2 -44.2(8) . . . . ?
C40_2 C39_2 C42_2 F32_2 76.1(8) . . . . ?
C41_2 C39_2 C40_2 F24_2 -41.6(8) . . . . ?
C41_2 C39_2 C40_2 F25_2 -160.6(6) . . . . ?
C41_2 C39_2 C40_2 F26_2 77.6(8) . . . . ?
C41_2 C39_2 C42_2 F30_2 76.8(8) . . . . ?
C41_2 C39_2 C42_2 F31_2 -164.6(6) . . . . ?
C41_2 C39_2 C42_2 F32_2 -44.3(8) . . . . ?
C42_2 C39_2 C40_2 F24_2 -162.1(6) . . . . ?
C42_2 C39_2 C40_2 F25_2 78.9(8) . . . . ?
C42_2 C39_2 C40_2 F26_2 -42.9(8) . . . . ?
C42_2 C39_2 C41_2 F27_2 77.1(8) . . . . ?
C42_2 C39_2 C41_2 F28_2 -162.9(6) . . . . ?
C42_2 C39_2 C41_2 F29_2 -44.0(8) . . . . ?
O3_3 Al1 O3_1 C39_1 142.7(10) . . . . ?
O3_3 Al1 O3_2 C39_2 67.5(11) . . . . ?
O3_3 C39_3 C40_3 F24_3 45.0(10) . . . . ?
O3_3 C39_3 C40_3 F25_3 -71.8(9) . . . . ?
O3_3 C39_3 C40_3 F26_3 169.6(7) . . . . ?
O3_3 C39_3 C41_3 F27_3 -69.1(9) . . . . ?
O3_3 C39_3 C41_3 F28_3 48.8(9) . . . . ?
O3_3 C39_3 C41_3 F29_3 172.3(7) . . . . ?
O3_3 C39_3 C42_3 F30_3 -75.9(9) . . . . ?
O3_3 C39_3 C42_3 F31_3 40.5(10) . . . . ?
O3_3 C39_3 C42_3 F32_3 167.7(7) . . . . ?
C40_3 C39_3 C41_3 F27_3 51.9(9) . . . . ?
C40_3 C39_3 C41_3 F28_3 169.7(7) . . . . ?
C40_3 C39_3 C41_3 F29_3 -66.7(9) . . . . ?
C40_3 C39_3 C42_3 F30_3 162.5(7) . . . . ?
C40_3 C39_3 C42_3 F31_3 -81.1(9) . . . . ?
C40_3 C39_3 C42_3 F32_3 46.2(9) . . . . ?
C41_3 C39_3 C40_3 F24_3 -74.6(9) . . . . ?
C41_3 C39_3 C40_3 F25_3 168.6(7) . . . . ?
C41_3 C39_3 C40_3 F26_3 50.1(10) . . . . ?
C41_3 C39_3 C42_3 F30_3 42.6(9) . . . . ?
C41_3 C39_3 C42_3 F31_3 158.9(8) . . . . ?
C41_3 C39_3 C42_3 F32_3 -73.8(9) . . . . ?
C42_3 C39_3 C40_3 F24_3 167.1(8) . . . . ?
C42_3 C39_3 C40_3 F25_3 50.4(9) . . . . ?
C42_3 C39_3 C40_3 F26_3 -68.2(9) . . . . ?
C42_3 C39_3 C41_3 F27_3 170.5(8) . . . . ?
C42_3 C39_3 C41_3 F28_3 -71.7(9) . . . . ?
C42_3 C39_3 C41_3 F29_3 51.9(9) . . . . ?
O3_4 Al2 O3_5 C39_5 -164.4(17) . . . . ?
O3_4 Al2 O3_6 C39_6 36(3) . . . . ?
O3_4 C39_4 C40_4 F24_4 86.6(12) . . . . ?
O3_4 C39_4 C40_4 F25_4 -34.5(15) . . . . ?
O3_4 C39_4 C40_4 F26_4 -160.6(13) . . . . ?
O3_4 C39_4 C41_4 F27_4 -163.9(11) . . . . ?
O3_4 C39_4 C41_4 F28_4 -44.4(14) . . . . ?
O3_4 C39_4 C41_4 F29_4 78.5(13) . . . . ?
O3_4 C39_4 C42_4 F30_4 -39.7(15) . . . . ?
O3_4 C39_4 C42_4 F31_4 83.0(13) . . . . ?
O3_4 C39_4 C42_4 F32_4 -159.8(13) . . . . ?
C40_4 C39_4 C41_4 F27_4 -43.1(13) . . . . ?
C40_4 C39_4 C41_4 F28_4 76.4(13) . . . . ?
C40_4 C39_4 C41_4 F29_4 -160.7(11) . . . . ?
C40_4 C39_4 C42_4 F30_4 -158.3(12) . . . . ?
C40_4 C39_4 C42_4 F31_4 -35.5(13) . . . . ?
C40_4 C39_4 C42_4 F32_4 81.6(14) . . . . ?
C41_4 C39_4 C40_4 F24_4 -34.2(12) . . . . ?
C41_4 C39_4 C40_4 F25_4 -155.2(12) . . . . ?
C41_4 C39_4 C40_4 F26_4 78.7(14) . . . . ?
C41_4 C39_4 C42_4 F30_4 78.2(13) . . . . ?
C41_4 C39_4 C42_4 F31_4 -159.1(11) . . . . ?
C41_4 C39_4 C42_4 F32_4 -41.9(14) . . . . ?
C42_4 C39_4 C40_4 F24_4 -155.9(10) . . . . ?
C42_4 C39_4 C40_4 F25_4 83.1(13) . . . . ?
C42_4 C39_4 C40_4 F26_4 -43.0(15) . . . . ?
C42_4 C39_4 C41_4 F27_4 79.2(13) . . . . ?
C42_4 C39_4 C41_4 F28_4 -161.3(11) . . . . ?
C42_4 C39_4 C41_4 F29_4 -38.5(13) . . . . ?
O3_5 Al2 O3_4 C39_4 1(3) . . . . ?
O3_5 Al2 O3_6 C39_6 -97(3) . . . . ?
O3_5 C39_5 C40_5 F24_5 48.2(11) . . . . ?
O3_5 C39_5 C40_5 F25_5 -70.5(12) . . . . ?
O3_5 C39_5 C40_5 F26_5 168.4(10) . . . . ?
O3_5 C39_5 C41_5 F27_5 -61.8(12) . . . . ?
O3_5 C39_5 C41_5 F28_5 55.7(13) . . . . ?
O3_5 C39_5 C41_5 F29_5 177.0(12) . . . . ?
O3_5 C39_5 C42_5 F30_5 -78.6(11) . . . . ?
O3_5 C39_5 C42_5 F31_5 45.5(12) . . . . ?
O3_5 C39_5 C42_5 F32_5 160.6(9) . . . . ?
C40_5 C39_5 C41_5 F27_5 58.3(12) . . . . ?
C40_5 C39_5 C41_5 F28_5 175.8(10) . . . . ?
C40_5 C39_5 C41_5 F29_5 -63.0(14) . . . . ?
C40_5 C39_5 C42_5 F30_5 164.0(9) . . . . ?
C40_5 C39_5 C42_5 F31_5 -71.9(11) . . . . ?
C40_5 C39_5 C42_5 F32_5 43.2(12) . . . . ?
C41_5 C39_5 C40_5 F24_5 -73.5(11) . . . . ?
C41_5 C39_5 C40_5 F25_5 167.8(9) . . . . ?
C41_5 C39_5 C40_5 F26_5 46.7(13) . . . . ?
C41_5 C39_5 C42_5 F30_5 43.1(12) . . . . ?
C41_5 C39_5 C42_5 F31_5 167.2(9) . . . . ?
C41_5 C39_5 C42_5 F32_5 -77.7(11) . . . . ?
C42_5 C39_5 C40_5 F24_5 166.2(9) . . . . ?
C42_5 C39_5 C40_5 F25_5 47.4(11) . . . . ?
C42_5 C39_5 C40_5 F26_5 -73.6(12) . . . . ?
C42_5 C39_5 C41_5 F27_5 177.7(10) . . . . ?
C42_5 C39_5 C41_5 F28_5 -64.8(12) . . . . ?
C42_5 C39_5 C41_5 F29_5 56.4(14) . . . . ?
O3_6 Al2 O3_4 C39_4 -135(2) . . . . ?
O3_6 Al2 O3_5 C39_5 -31(2) . . . . ?
O3_6 C39_6 C40_6 F24_6 76.8(13) . . . . ?
O3_6 C39_6 C40_6 F25_6 -42.2(15) . . . . ?
O3_6 C39_6 C40_6 F26_6 -161.3(13) . . . . ?
O3_6 C39_6 C41_6 F27_6 -38.7(15) . . . . ?
O3_6 C39_6 C41_6 F28_6 -155.3(12) . . . . ?
O3_6 C39_6 C41_6 F29_6 81.8(14) . . . . ?
O3_6 C39_6 C42_6 F30_6 -44.4(15) . . . . ?
O3_6 C39_6 C42_6 F31_6 75.7(14) . . . . ?
O3_6 C39_6 C42_6 F32_6 -163.4(14) . . . . ?
C40_6 C39_6 C41_6 F27_6 83.4(12) . . . . ?
C40_6 C39_6 C41_6 F28_6 -33.3(12) . . . . ?
C40_6 C39_6 C41_6 F29_6 -156.1(10) . . . . ?
C40_6 C39_6 C42_6 F30_6 -163.8(11) . . . . ?
C40_6 C39_6 C42_6 F31_6 -43.7(13) . . . . ?
C40_6 C39_6 C42_6 F32_6 77.3(14) . . . . ?
C41_6 C39_6 C40_6 F24_6 -47.2(12) . . . . ?
C41_6 C39_6 C40_6 F25_6 -166.2(11) . . . . ?
C41_6 C39_6 C40_6 F26_6 74.8(14) . . . . ?
C41_6 C39_6 C42_6 F30_6 78.0(12) . . . . ?
C41_6 C39_6 C42_6 F31_6 -161.9(10) . . . . ?
C41_6 C39_6 C42_6 F32_6 -41.0(15) . . . . ?
C42_6 C39_6 C40_6 F24_6 -165.5(10) . . . . ?
C42_6 C39_6 C40_6 F25_6 75.6(13) . . . . ?
C42_6 C39_6 C40_6 F26_6 -43.5(15) . . . . ?
C42_6 C39_6 C41_6 F27_6 -157.4(11) . . . . ?
C42_6 C39_6 C41_6 F28_6 85.9(12) . . . . ?
C42_6 C39_6 C41_6 F29_6 -37.0(13) . . . . ?
O3_7 Al2 O3_8 C39_8 -115(6) . . . . ?
O3_7 Al2 O3_9 C39_9 -119(4) . . . . ?
O3_7 C39_7 C40_7 F24_7 43(2) . . . . ?
O3_7 C39_7 C40_7 F25_7 -79(2) . . . . ?
O3_7 C39_7 C40_7 F26_7 159(2) . . . . ?
O3_7 C39_7 C41_7 F27_7 -90(2) . . . . ?
O3_7 C39_7 C41_7 F28_7 146(3) . . . . ?
O3_7 C39_7 C41_7 F29_7 29(3) . . . . ?
O3_7 C39_7 C42_7 F30_7 -79(2) . . . . ?
O3_7 C39_7 C42_7 F31_7 44(3) . . . . ?
O3_7 C39_7 C42_7 F32_7 162(2) . . . . ?
C40_7 C39_7 C41_7 F27_7 30(2) . . . . ?
C40_7 C39_7 C41_7 F28_7 -94(2) . . . . ?
C40_7 C39_7 C41_7 F29_7 150(2) . . . . ?
C40_7 C39_7 C42_7 F30_7 163.7(18) . . . . ?
C40_7 C39_7 C42_7 F31_7 -74(2) . . . . ?
C40_7 C39_7 C42_7 F32_7 45(2) . . . . ?
C41_7 C39_7 C40_7 F24_7 -80(2) . . . . ?
C41_7 C39_7 C40_7 F25_7 159.1(18) . . . . ?
C41_7 C39_7 C40_7 F26_7 37(2) . . . . ?
C41_7 C39_7 C42_7 F30_7 43(2) . . . . ?
C41_7 C39_7 C42_7 F31_7 165.0(19) . . . . ?
C41_7 C39_7 C42_7 F32_7 -76(2) . . . . ?
C42_7 C39_7 C40_7 F24_7 162(2) . . . . ?
C42_7 C39_7 C40_7 F25_7 40(2) . . . . ?
C42_7 C39_7 C40_7 F26_7 -82(2) . . . . ?
C42_7 C39_7 C41_7 F27_7 148.3(18) . . . . ?
C42_7 C39_7 C41_7 F28_7 24(2) . . . . ?
C42_7 C39_7 C41_7 F29_7 -92(2) . . . . ?
O3_8 Al2 O3_7 C39_7 46(7) . . . . ?
O3_8 Al2 O3_9 C39_9 107(4) . . . . ?
O3_8 C39_8 C40_8 F24_8 53(2) . . . . ?
O3_8 C39_8 C40_8 F25_8 -66(2) . . . . ?
O3_8 C39_8 C40_8 F26_8 177(2) . . . . ?
O3_8 C39_8 C41_8 F27_8 172(2) . . . . ?
O3_8 C39_8 C41_8 F28_8 -65(2) . . . . ?
O3_8 C39_8 C41_8 F29_8 53(2) . . . . ?
O3_8 C39_8 C42_8 F30_8 -68(2) . . . . ?
O3_8 C39_8 C42_8 F31_8 52(2) . . . . ?
O3_8 C39_8 C42_8 F32_8 168(2) . . . . ?
C40_8 C39_8 C41_8 F27_8 -65.9(18) . . . . ?
C40_8 C39_8 C41_8 F28_8 57.1(18) . . . . ?
C40_8 C39_8 C41_8 F29_8 174.6(19) . . . . ?
C40_8 C39_8 C42_8 F30_8 174.8(19) . . . . ?
C40_8 C39_8 C42_8 F31_8 -66(2) . . . . ?
C40_8 C39_8 C42_8 F32_8 50.0(19) . . . . ?
C41_8 C39_8 C40_8 F24_8 -69.9(19) . . . . ?
C41_8 C39_8 C40_8 F25_8 171.8(17) . . . . ?
C41_8 C39_8 C40_8 F26_8 54(2) . . . . ?
C41_8 C39_8 C42_8 F30_8 54(2) . . . . ?
C41_8 C39_8 C42_8 F31_8 173.1(17) . . . . ?
C41_8 C39_8 C42_8 F32_8 -70.9(18) . . . . ?
C42_8 C39_8 C40_8 F24_8 171.4(18) . . . . ?
C42_8 C39_8 C40_8 F25_8 53(2) . . . . ?
C42_8 C39_8 C40_8 F26_8 -64.6(19) . . . . ?
C42_8 C39_8 C41_8 F27_8 50.7(18) . . . . ?
C42_8 C39_8 C41_8 F28_8 173.7(15) . . . . ?
C42_8 C39_8 C41_8 F29_8 -69(2) . . . . ?
O3_9 Al2 O3_7 C39_7 -87(6) . . . . ?
O3_9 Al2 O3_8 C39_8 15(7) . . . . ?
O3_9 C39_9 C40_9 F24_9 43(2) . . . . ?
O3_9 C39_9 C40_9 F25_9 -83(2) . . . . ?
O3_9 C39_9 C40_9 F26_9 154.8(19) . . . . ?
O3_9 C39_9 C41_9 F27_9 -114.5(19) . . . . ?
O3_9 C39_9 C41_9 F28_9 3(2) . . . . ?
O3_9 C39_9 C41_9 F29_9 123.8(19) . . . . ?
O3_9 C39_9 C42_9 F30_9 -85.6(19) . . . . ?
O3_9 C39_9 C42_9 F31_9 37(2) . . . . ?
O3_9 C39_9 C42_9 F32_9 157.2(18) . . . . ?
C40_9 C39_9 C41_9 F27_9 10(2) . . . . ?
C40_9 C39_9 C41_9 F28_9 127(2) . . . . ?
C40_9 C39_9 C41_9 F29_9 -112.0(19) . . . . ?
C40_9 C39_9 C42_9 F30_9 160.5(16) . . . . ?
C40_9 C39_9 C42_9 F31_9 -77.0(18) . . . . ?
C40_9 C39_9 C42_9 F32_9 43.3(18) . . . . ?
C41_9 C39_9 C40_9 F24_9 -82(2) . . . . ?
C41_9 C39_9 C40_9 F25_9 151.5(18) . . . . ?
C41_9 C39_9 C40_9 F26_9 29(2) . . . . ?
C41_9 C39_9 C42_9 F30_9 31.4(18) . . . . ?
C41_9 C39_9 C42_9 F31_9 153.9(16) . . . . ?
C41_9 C39_9 C42_9 F32_9 -85.8(17) . . . . ?
C42_9 C39_9 C40_9 F24_9 159.3(17) . . . . ?
C42_9 C39_9 C40_9 F25_9 33.2(19) . . . . ?
C42_9 C39_9 C40_9 F26_9 -89.1(18) . . . . ?
C42_9 C39_9 C41_9 F27_9 128.5(18) . . . . ?
C42_9 C39_9 C41_9 F28_9 -114.5(19) . . . . ?
C42_9 C39_9 C41_9 F29_9 7(2) . . . . ?

_olex2_exptl_crystal_mounting_method 'Mounted in fomblin.'
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 4.568
_oxdiff_exptl_absorpt_empirical_full_min 0.225
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_cdpm82
_database_code_depnum_ccdc_archive 'CCDC 2365782'
loop_
_audit_author_name
_audit_author_address
'George F. S. Whitehead'
;University of Manchester
United Kingdom
;
_audit_update_record             
;
2024-06-26 deposited with the CCDC.	2024-11-28 downloaded from the CCDC.
;
_manchester_internal_diff_code   cdpm82
_manchester_internal_coll_client SCC
_manchester_internal_coll_date   30/04/24
_manchester_internal_process_date 30/04/24
_manchester_internal_process_user SCC
_manchester_internal_solution_date 30/04/24
_manchester_internal_solution_user SCC
_manchester_internal_refinement_date 30/04/24
_manchester_internal_refinement_user SCC
_manchester_internal_validation_date 06/06/24
_manchester_internal_validation_user SCC
_manchester_internal_archive_date ?
_manchester_internal_archive_user ?
_refine_special_details          
;
The B-H bond distances were restrained to approximately 1.15 Angstrom. 
1,3 H-H distances within all borohydride groups were restrained to be approximately equal.
The ISOR command was applied to atom C5.
Enhanced rigid bond and similarity thermal restraints were applied to all non-H atoms.
;
_audit_creation_date             2024-04-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        '[Dy(Cp*)(BH4)2]'
_chemical_formula_moiety         'C10 H23 B2 Dy'
_chemical_formula_sum            'C10 H23 B2 Dy'
_chemical_formula_weight         327.40
_chemical_melting_point          ?
_chemical_oxdiff_formula         DyCB
_chemical_oxdiff_usercomment     XHD
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   8.3735(3)
_cell_length_b                   20.8167(5)
_cell_length_c                   8.5037(3)
_cell_angle_alpha                90
_cell_angle_beta                 117.930(5)
_cell_angle_gamma                90
_cell_volume                     1309.61(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8066
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      79.2380
_cell_measurement_theta_min      4.2350
_shelx_estimated_absorpt_T_max   0.063
_shelx_estimated_absorpt_T_min   0.049
_exptl_absorpt_coefficient_mu    30.145
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.477
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.106a (Rigaku Oxford Diffraction, 2024)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.661
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             636
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 -6 5 0.1181
4 -4 1 0.1250
5 0 -4 0.1392
2 5 -5 0.1128
-2 6 -3 0.1125
-5 -2 3 0.0868
-5 5 3 0.0896
5 -4 -3 0.1160
2 -12 -2 0.0986
1 -13 -2 0.0891
-2 -12 0 0.0854
-1 13 2 0.1241
3 11 -1 0.1444
5 -2 -5 0.1190
3 -4 -5 0.1134
0 -5 -5 0.0978
-5 -3 0 0.0742
-1 5 5 0.1286
3 5 3 0.1355
5 2 -1 0.1463
-5 5 1 0.0833
1 8 -4 0.1136
-2 8 -3 0.1037
-2 -7 5 0.1138
2 12 -2 0.1299
0 13 -1 0.1216
3 -10 -1 0.1155
1 -13 1 0.1056
-1 -13 2 0.0991
2 9 2 0.1373
0 10 3 0.1393

_exptl_crystal_size_max          0.254
_exptl_crystal_size_mid          0.228
_exptl_crystal_size_min          0.206
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-0.4248 -5.8564 4.5800 0.2286 0.9524 -0.2018
4.2913 -4.2467 0.5333 0.1665 0.6859 0.7084
5.3210 0.4063 -3.5251 -0.0151 -0.0714 0.9973
2.3773 4.9958 -5.1282 -0.1947 -0.8145 0.5466
-2.0609 5.7853 -3.0208 -0.2262 -0.9383 -0.2616
-5.3448 -2.1140 3.0098 -0.1509 0.0698 -0.9861
-4.9299 4.8834 3.4112 0.3319 -0.1606 -0.9295
5.0366 -4.2441 -3.4159 -0.2878 0.1395 0.9475
2.2645 -11.6848 -2.4445 -0.8034 0.3846 0.4546
0.7839 -12.8769 -1.6671 -0.8870 0.4239 0.1832
-2.1543 -12.1649 0.1617 -0.8407 0.4006 -0.3643
-0.8222 12.8598 1.6884 0.8858 -0.4233 -0.1903
3.1183 10.9221 -0.8555 0.7560 -0.3597 0.5469
4.5759 -2.1854 -4.6914 -0.3728 -0.2001 0.9061
2.8362 -3.9279 -5.2616 -0.6833 -0.3692 0.6300
-0.0255 -4.9619 -4.5238 -0.8720 -0.4727 0.1271
-4.6204 -3.0990 -0.1162 -0.5559 -0.3033 -0.7739
-1.0259 4.7609 4.9585 0.8341 0.4517 -0.3166
2.7432 4.5721 2.5682 0.8102 0.4404 0.3869
5.0547 2.3533 -0.8214 0.4260 0.2331 0.8742
-4.7794 4.7770 0.7097 -0.0133 -0.5629 -0.8264
1.2931 7.8389 -4.4128 -0.0256 -0.9391 0.3427
-1.8982 8.1319 -2.6000 -0.0253 -0.9687 -0.2469
-2.4318 -6.9869 4.7141 0.0234 0.8392 -0.5433
1.6674 12.1937 -2.2602 0.5312 -0.7748 0.3427
-0.2370 13.0027 -1.1896 0.5661 -0.8243 -0.0090
3.3767 -10.4467 -0.9743 -0.4542 0.6592 0.5993
1.0090 -12.8595 0.7073 -0.5597 0.8145 0.1528
-0.9028 -12.7218 1.8512 -0.5541 0.8076 -0.2021
1.8237 9.3729 2.2386 0.9678 0.0753 0.2403
-0.0188 9.6159 3.4337 0.9915 0.0779 -0.1044

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0685
_diffrn_reflns_av_unetI/netI     0.0374
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.955
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            15015
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.955
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         80.121
_diffrn_reflns_theta_min         4.248
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     83.00 114.00   0.50    0.20    --  113.25-135.00 107.00   62
  2  ω     55.00  95.00   0.50    0.10    --   46.94-135.00 107.00   80
  3  ω    -13.00  29.00   0.50    0.10    --  -46.94  19.00 -30.00   84
  4  ω    -21.00  29.00   0.50    0.10    --  -46.94  19.00 -90.00  100
  5  ω    -26.00  28.00   0.50    0.10    --  -46.94  19.00-150.00  108
  6  ω     42.00  98.00   0.50    0.10    --   46.94-134.00 -73.00  112
  7  ω     62.00  96.00   0.50    0.20    --  113.25-125.00  30.00   68
  8  ω     67.00 109.00   0.50    0.20    --  113.25-125.00  60.00   84
  9  ω     44.00  70.00   0.50    0.20    --  113.25-125.00 -30.00   52
 10  ω     86.00 111.00   0.50    0.20    --  113.25-125.00 -30.00   50
 11  ω     88.00 113.00   0.50    0.20    --  113.25-134.00 -73.00   50
 12  ω     57.00 106.00   0.50    0.20    --  113.25-125.00-120.00   98
 13  ω     45.00  90.00   0.50    0.20    --  113.25 -94.00 -90.00   90
 14  ω     71.00  98.00   0.50    0.20    --  113.25 -94.00 -60.00   54
 15  ω     43.00  99.00   0.50    0.20    --  113.25 -94.00  90.00  112
 16  ω     63.00 102.00   0.50    0.20    --  113.25 -94.00 120.00   78
 17  ω     52.00  93.00   0.50    0.20    --  113.25 -94.00 150.00   82
 18  ω     43.00  69.00   0.50    0.20    --  113.25 -61.00 150.00   52
 19  ω     43.00  70.00   0.50    0.20    --  113.25 -61.00  90.00   54
 20  ω     46.00  71.00   0.50    0.20    --  113.25 -61.00  60.00   50
 21  ω     43.00  71.00   0.50    0.20    --  113.25 -61.00 120.00   56
 22  ω     42.00  67.00   0.50    0.20    --  113.25 -61.00 -30.00   50
 23  ω     42.00  69.00   0.50    0.20    --  113.25 -61.00 -60.00   54
 24  ω    -17.00   8.00   0.50    0.10    --   46.94 -19.00-120.00   50
 25  ω    -18.00  26.00   0.50    0.10    --   46.94 -19.00   0.00   88
 26  ω     44.00  70.00   0.50    0.20    --  113.25 -61.00 -90.00   52
 27  ω    100.00 146.00   0.50    0.20    --  113.25  15.00-180.00   92
 28  ω    152.00 177.00   0.50    0.20    --  113.25  15.00-180.00   50
 29  ω    102.00 177.00   0.50    0.20    --  113.25  30.00 -90.00  150
 30  ω    109.00 138.00   0.50    0.20    --  113.25 134.00  -5.00   58
 31  ω    143.00 175.00   0.50    0.20    --  113.25 134.00  -5.00   64
 32  ω     93.00 148.00   0.50    0.20    --  113.25 135.00 173.00  110
 33  ω    -73.00 -46.00   0.50    0.20    --  -91.75 134.00  -5.00   54
 34  ω    -57.00 -20.00   0.50    0.20    --  -91.75  61.00-150.00   74
 35  ω    -46.00 -21.00   0.50    0.20    --  -91.75  45.00-120.00   50
 36  ω    -80.00 -55.00   0.50    0.10    --  -46.94 134.00  -5.00   50
 37  ω    -50.00 -21.00   0.50    0.20    --  -91.75  45.00  60.00   58
 38  ω    -82.00 -57.00   0.50    0.10    --  -46.94 135.00 173.00   50
 39  ω    -49.00 -21.00   0.50    0.20    --  -91.75  45.00 150.00   56
 40  ω    -51.00 -26.00   0.50    0.20    --  -91.75  45.00 120.00   50
 41  ω    -79.00 -23.00   0.50    0.20    --  -91.75   0.00-120.00  112
 42  ω   -127.00-102.00   0.50    0.20    --  -91.75   0.00-120.00   50
 43  ω   -164.00-133.00   0.50    0.20    --  -91.75   0.00-120.00   62
 44  ω   -113.00 -79.00   0.50    0.20    --  -91.75 -61.00 -60.00   68
 45  ω    -78.00 -48.00   0.50    0.10    --  -46.94 -37.00-150.00   60
 46  ω   -119.00 -94.00   0.50    0.10    --  -46.94 -37.00-150.00   50
 47  ω   -161.00-124.00   0.50    0.20    --  -91.75 -61.00 -60.00   74
 48  ω   -158.00 -84.00   0.50    0.20    --  -91.75 -30.00 -30.00  148
 49  ω   -127.00 -83.00   0.50    0.20    --  -91.75 -94.00  60.00   88
 50  ω    -98.00 -72.00   0.50    0.20    --  -91.75-135.00 107.00   52
 51  ω   -158.00-106.00   0.50    0.20    --  -91.75-135.00 107.00  104
 52  ω   -108.00 -76.00   0.50    0.10    --  -46.94-135.00 107.00   64
 53  ω   -115.00 -70.00   0.50    0.10    --  -46.94-134.00 -73.00   90
 54  ω   -139.00-114.00   0.50    0.20    --  -91.75-134.00 -73.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0789122000
_diffrn_orient_matrix_UB_12      0.0568621000
_diffrn_orient_matrix_UB_13      0.1299453000
_diffrn_orient_matrix_UB_21      0.0935330000
_diffrn_orient_matrix_UB_22      -0.0474197000
_diffrn_orient_matrix_UB_23      0.1559826000
_diffrn_orient_matrix_UB_31      0.1683933000
_diffrn_orient_matrix_UB_32      -0.0002537000
_diffrn_orient_matrix_UB_33      -0.0287688000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2516
_reflns_number_total             2738
_reflns_odcompleteness_completeness 99.80
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     68.13
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.43.106a (Rigaku OD, 2024)'
_computing_data_collection       
'CrysAlisPro system (CCD 43.106a 64-bit (release 01-02-2024))'
_computing_data_reduction        'CrysAlisPro 1.171.43.106a (Rigaku OD, 2024)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         2.019
_refine_diff_density_min         -1.846
_refine_diff_density_rms         0.266
_refine_ls_extinction_coef       0.0025(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     148
_refine_ls_number_reflns         2738
_refine_ls_number_restraints     272
_refine_ls_R_factor_all          0.0518
_refine_ls_R_factor_gt           0.0485
_refine_ls_restrained_S_all      1.018
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1010P)²+2.0665P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1319
_refine_ls_wR_factor_ref         0.1347
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All B(H,H,H,H) groups, All C(H,H,H) groups
2. Restrained distances
 B2-H2C = B2-H2B = B2-H2D = B2-H2A = B1-H1B = B1-H1D = B1-H1A = B1-H1C
 1.15 with sigma of 0.02
 H1B-H1A \\sim H1C-H1A \\sim H1C-H1B \\sim H1D-H1B \\sim H1D-H1C \\sim H1D-H1A
\\sim H2B-H2A \\sim H2C-H2A
 \\sim H2D-H2A \\sim H2D-H2C \\sim H2D-H2B \\sim H2C-H2B
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08
Uanis(C5) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
5.a Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C10(H10A,H10B,H10C), C8(H8A,H8B,H8C), C7(H7A,H7B,H7C),
 C9(H9A,H9B,H9C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   diffmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.19236(4) 0.68495(2) 0.67422(4) 0.00635(18) Uani 1 1 d . U . . .
C1 C 0.2342(7) 0.5631(2) 0.6491(7) 0.0089(8) Uani 1 1 d . U . . .
C5 C 0.1094(7) 0.5688(2) 0.7180(7) 0.0086(8) Uani 1 1 d . U . . .
C6 C 0.4194(8) 0.5339(3) 0.7454(8) 0.0162(11) Uani 1 1 d . U . . .
H6A H 0.491484 0.547286 0.687637 0.024 Uiso 1 1 calc GR . . . .
H6B H 0.409248 0.486999 0.742002 0.024 Uiso 1 1 calc GR . . . .
H6C H 0.478423 0.548504 0.869439 0.024 Uiso 1 1 calc GR . . . .
C2 C 0.1485(7) 0.5873(2) 0.4716(7) 0.0097(8) Uani 1 1 d . U . . .
C10 C 0.1401(8) 0.5447(3) 0.8981(8) 0.0163(11) Uani 1 1 d . U . . .
H10A H 0.261238 0.557257 0.989201 0.024 Uiso 1 1 calc GR . . . .
H10B H 0.129612 0.497791 0.895133 0.024 Uiso 1 1 calc GR . . . .
H10C H 0.049442 0.563491 0.926607 0.024 Uiso 1 1 calc GR . . . .
C4 C -0.0525(7) 0.5952(2) 0.5840(7) 0.0099(8) Uani 1 1 d . U . . .
C8 C -0.1710(8) 0.6308(3) 0.2534(8) 0.0175(11) Uani 1 1 d . U . . .
H8A H -0.243106 0.664197 0.271940 0.026 Uiso 1 1 calc GR . . . .
H8B H -0.249901 0.595192 0.186062 0.026 Uiso 1 1 calc GR . . . .
H8C H -0.112812 0.648859 0.186580 0.026 Uiso 1 1 calc GR . . . .
C7 C 0.2313(9) 0.5873(3) 0.3473(8) 0.0183(12) Uani 1 1 d . U . . .
H7A H 0.173611 0.620616 0.256466 0.027 Uiso 1 1 calc GR . . . .
H7B H 0.212873 0.545265 0.289614 0.027 Uiso 1 1 calc GR . . . .
H7C H 0.361087 0.596144 0.415221 0.027 Uiso 1 1 calc GR . . . .
C3 C -0.0293(7) 0.6068(3) 0.4300(7) 0.0100(8) Uani 1 1 d . U . . .
C9 C -0.2259(8) 0.6054(3) 0.5931(9) 0.0186(12) Uani 1 1 d . U . . .
H9A H -0.198308 0.616109 0.715467 0.028 Uiso 1 1 calc GR . . . .
H9B H -0.298531 0.566097 0.555994 0.028 Uiso 1 1 calc GR . . . .
H9C H -0.293801 0.640781 0.513731 0.028 Uiso 1 1 calc GR . . . .
B1 B 0.0816(9) 0.7299(3) 0.8971(8) 0.0124(11) Uani 1 1 d D U . . .
H1A H 0.171(6) 0.6851(16) 0.934(7) 0.019 Uiso 1 1 d DR . . . .
H1B H 0.170(6) 0.7749(16) 0.919(6) 0.019 Uiso 1 1 d DR . . . .
H1C H 0.012(6) 0.733(2) 0.985(5) 0.019 Uiso 1 1 d DR . . . .
H1D H -0.026(5) 0.728(2) 0.750(3) 0.019 Uiso 1 1 d DR . . . .
B2 B 0.5170(9) 0.7118(3) 0.8233(10) 0.0190(13) Uani 1 1 d D U . . .
H2A H 0.434(6) 0.7587(16) 0.793(7) 0.028 Uiso 1 1 d DR . . . .
H2B H 0.476(8) 0.685(2) 0.692(4) 0.028 Uiso 1 1 d DR . . . .
H2C H 0.480(7) 0.680(2) 0.914(6) 0.028 Uiso 1 1 d DR . . . .
H2D H 0.667(3) 0.723(3) 0.892(7) 0.028 Uiso 1 1 d DR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 C1 2.584(5) . ?
Dy1 C5 2.589(5) . ?
Dy1 C2 2.578(5) . ?
Dy1 C4 2.609(5) . ?
Dy1 C3 2.606(5) . ?
Dy1 B1 2.641(6) . ?
Dy1 B1 2.741(6) 4_575 ?
Dy1 H1A 2.30(5) . ?
Dy1 H1D 2.37(5) . ?
Dy1 B2 2.466(7) . ?
Dy1 H2A 2.36(5) . ?
Dy1 H2B 2.30(6) . ?
Dy1 H2C 2.32(6) . ?
C1 C5 1.422(7) . ?
C1 C6 1.501(7) . ?
C1 C2 1.426(7) . ?
C5 C10 1.515(7) . ?
C5 C4 1.411(7) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C2 C7 1.511(7) . ?
C2 C3 1.419(7) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C4 C3 1.431(7) . ?
C4 C9 1.505(7) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C8 C3 1.498(8) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
B1 H1A 1.141(18) . ?
B1 H1B 1.151(18) . ?
B1 H1C 1.147(18) . ?
B1 H1D 1.148(18) . ?
B2 H2A 1.156(18) . ?
B2 H2B 1.146(18) . ?
B2 H2C 1.159(18) . ?
B2 H2D 1.130(18) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Dy1 C5 31.91(15) . . ?
C1 Dy1 C4 52.48(17) . . ?
C1 Dy1 C3 52.76(17) . . ?
C1 Dy1 B1 124.66(17) . 4_575 ?
C1 Dy1 B1 120.92(18) . . ?
C1 Dy1 H1A 99.0(7) . . ?
C1 Dy1 H1D 122.7(12) . . ?
C1 Dy1 H2A 123.6(5) . . ?
C1 Dy1 H2B 80.2(11) . . ?
C1 Dy1 H2C 84.7(12) . . ?
C5 Dy1 C4 31.49(16) . . ?
C5 Dy1 C3 52.64(17) . . ?
C5 Dy1 B1 91.10(18) . . ?
C5 Dy1 B1 136.23(18) . 4_575 ?
C5 Dy1 H1A 73.5(10) . . ?
C5 Dy1 H1D 91.0(12) . . ?
C5 Dy1 H2A 141.3(8) . . ?
C5 Dy1 H2B 109.1(12) . . ?
C5 Dy1 H2C 94.2(9) . . ?
C2 Dy1 C1 32.08(16) . . ?
C2 Dy1 C5 52.86(16) . . ?
C2 Dy1 C4 52.59(16) . . ?
C2 Dy1 C3 31.77(16) . . ?
C2 Dy1 B1 92.90(17) . 4_575 ?
C2 Dy1 B1 140.45(18) . . ?
C2 Dy1 H1A 126.4(10) . . ?
C2 Dy1 H1D 126.1(9) . . ?
C2 Dy1 H2A 128.7(10) . . ?
C2 Dy1 H2B 82.2(7) . . ?
C2 Dy1 H2C 108.7(13) . . ?
C4 Dy1 B1 88.44(18) . . ?
C4 Dy1 B1 107.92(18) . 4_575 ?
C4 Dy1 H1A 83.1(13) . . ?
C4 Dy1 H1D 75.5(11) . . ?
C4 Dy1 H2A 172.2(11) . . ?
C4 Dy1 H2B 131.5(10) . . ?
C4 Dy1 H2C 125.4(8) . . ?
C3 Dy1 C4 31.86(16) . . ?
C3 Dy1 B1 115.74(19) . . ?
C3 Dy1 B1 83.73(18) . 4_575 ?
C3 Dy1 H1A 114.8(13) . . ?
C3 Dy1 H1D 95.7(8) . . ?
C3 Dy1 H2A 153.7(13) . . ?
C3 Dy1 H2B 112.3(6) . . ?
C3 Dy1 H2C 137.3(12) . . ?
B1 Dy1 B1 107.27(12) . 4_575 ?
B1 Dy1 H1A 25.5(5) . . ?
B1 Dy1 H1A 132.7(5) 4_575 . ?
B1 Dy1 H1D 25.8(4) . . ?
B1 Dy1 H1D 89.9(9) 4_575 . ?
B1 Dy1 H2A 79.9(11) 4_575 . ?
B1 Dy1 H2A 88.9(12) . . ?
B1 Dy1 H2B 88.9(12) 4_575 . ?
B1 Dy1 H2B 130.5(5) . . ?
B1 Dy1 H2C 87.3(11) . . ?
B1 Dy1 H2C 125.3(6) 4_575 . ?
H1A Dy1 H1D 47.3(6) . . ?
H1A Dy1 H2A 91.4(19) . . ?
H1A Dy1 H2B 118.6(13) . . ?
H1A Dy1 H2C 70.8(14) . . ?
H1D Dy1 H2A 104.7(13) . . ?
H1D Dy1 H2B 151.7(11) . . ?
H1D Dy1 H2C 112.9(12) . . ?
B2 Dy1 C1 96.1(2) . . ?
B2 Dy1 C5 116.3(2) . . ?
B2 Dy1 C2 107.5(2) . . ?
B2 Dy1 C4 147.0(2) . . ?
B2 Dy1 C3 138.9(2) . . ?
B2 Dy1 B1 98.2(2) . 4_575 ?
B2 Dy1 B1 102.9(2) . . ?
B2 Dy1 H1A 94.0(12) . . ?
B2 Dy1 H1D 125.3(8) . . ?
B2 Dy1 H2A 27.6(5) . . ?
B2 Dy1 H2B 27.5(5) . . ?
B2 Dy1 H2C 27.8(5) . . ?
H2A Dy1 H2B 47.3(7) . . ?
H2A Dy1 H2C 47.1(8) . . ?
H2B Dy1 H2C 47.8(8) . . ?
C5 C1 Dy1 74.3(3) . . ?
C5 C1 C6 125.4(5) . . ?
C5 C1 C2 107.7(5) . . ?
C6 C1 Dy1 119.8(4) . . ?
C2 C1 Dy1 73.7(3) . . ?
C2 C1 C6 126.8(5) . . ?
C1 C5 Dy1 73.8(3) . . ?
C1 C5 C10 125.4(5) . . ?
C10 C5 Dy1 121.7(4) . . ?
C4 C5 Dy1 75.0(3) . . ?
C4 C5 C1 108.3(5) . . ?
C4 C5 C10 126.1(5) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C1 C2 Dy1 74.2(3) . . ?
C1 C2 C7 124.9(5) . . ?
C7 C2 Dy1 119.9(4) . . ?
C3 C2 Dy1 75.2(3) . . ?
C3 C2 C1 108.3(4) . . ?
C3 C2 C7 126.7(5) . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C5 C4 Dy1 73.5(3) . . ?
C5 C4 C3 108.3(5) . . ?
C5 C4 C9 126.8(5) . . ?
C3 C4 Dy1 74.0(3) . . ?
C3 C4 C9 124.8(5) . . ?
C9 C4 Dy1 121.8(4) . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C2 C3 Dy1 73.0(3) . . ?
C2 C3 C4 107.4(5) . . ?
C2 C3 C8 126.2(5) . . ?
C4 C3 Dy1 74.2(3) . . ?
C4 C3 C8 126.2(5) . . ?
C8 C3 Dy1 121.6(4) . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Dy1 B1 Dy1 139.0(3) . 4_576 ?
Dy1 B1 H1A 112(3) 4_576 . ?
Dy1 B1 H1A 60(3) . . ?
Dy1 B1 H1B 53(2) 4_576 . ?
Dy1 B1 H1B 90(2) . . ?
Dy1 B1 H1C 161(3) . . ?
Dy1 B1 H1C 58(2) 4_576 . ?
Dy1 B1 H1D 138(3) 4_576 . ?
Dy1 B1 H1D 64(2) . . ?
H1A B1 H1B 109.5(17) . . ?
H1A B1 H1C 109.7(17) . . ?
H1A B1 H1D 110.0(17) . . ?
H1B B1 H1C 109.0(17) . . ?
H1B B1 H1D 109.1(17) . . ?
H1C B1 H1D 109.5(17) . . ?
Dy1 B2 H2A 71(3) . . ?
Dy1 B2 H2B 68(3) . . ?
Dy1 B2 H2C 69(3) . . ?
Dy1 B2 H2D 179(3) . . ?
H2A B2 H2B 108.6(17) . . ?
H2A B2 H2C 107.7(17) . . ?
H2A B2 H2D 110.5(17) . . ?
H2B B2 H2C 108.7(17) . . ?
H2B B2 H2D 111.1(18) . . ?
H2C B2 H2D 110.2(17) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 C1 C5 C10 -117.7(5) . . . . ?
Dy1 C1 C5 C4 67.7(4) . . . . ?
Dy1 C1 C2 C7 115.8(5) . . . . ?
Dy1 C1 C2 C3 -68.1(4) . . . . ?
Dy1 C5 C4 C3 66.3(4) . . . . ?
Dy1 C5 C4 C9 -117.7(5) . . . . ?
Dy1 C2 C3 C4 -66.7(4) . . . . ?
Dy1 C2 C3 C8 117.1(5) . . . . ?
Dy1 C4 C3 C2 66.0(4) . . . . ?
Dy1 C4 C3 C8 -117.9(5) . . . . ?
C1 C5 C4 Dy1 -66.9(3) . . . . ?
C1 C5 C4 C3 -0.6(6) . . . . ?
C1 C5 C4 C9 175.3(5) . . . . ?
C1 C2 C3 Dy1 67.4(4) . . . . ?
C1 C2 C3 C4 0.7(6) . . . . ?
C1 C2 C3 C8 -175.4(5) . . . . ?
C5 C1 C2 Dy1 67.1(3) . . . . ?
C5 C1 C2 C7 -177.2(5) . . . . ?
C5 C1 C2 C3 -1.0(6) . . . . ?
C5 C4 C3 Dy1 -66.0(4) . . . . ?
C5 C4 C3 C2 0.0(6) . . . . ?
C5 C4 C3 C8 176.1(5) . . . . ?
C6 C1 C5 Dy1 115.7(5) . . . . ?
C6 C1 C5 C10 -2.0(8) . . . . ?
C6 C1 C5 C4 -176.6(5) . . . . ?
C6 C1 C2 Dy1 -115.4(5) . . . . ?
C6 C1 C2 C7 0.4(9) . . . . ?
C6 C1 C2 C3 176.5(5) . . . . ?
C2 C1 C5 Dy1 -66.7(3) . . . . ?
C2 C1 C5 C10 175.6(5) . . . . ?
C2 C1 C5 C4 1.0(6) . . . . ?
C10 C5 C4 Dy1 118.5(5) . . . . ?
C10 C5 C4 C3 -175.2(5) . . . . ?
C10 C5 C4 C9 0.8(9) . . . . ?
C7 C2 C3 Dy1 -116.5(5) . . . . ?
C7 C2 C3 C4 176.7(5) . . . . ?
C7 C2 C3 C8 0.6(9) . . . . ?
C9 C4 C3 Dy1 118.0(5) . . . . ?
C9 C4 C3 C2 -176.1(5) . . . . ?
C9 C4 C3 C8 0.0(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.403
_oxdiff_exptl_absorpt_empirical_full_min 0.482
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Toluene'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ldpm174
_database_code_depnum_ccdc_archive 'CCDC 2365781'
loop_
_audit_author_name
_audit_author_address
'George F. S. Whitehead'
;University of Manchester
United Kingdom
;
_audit_update_record             
;
2024-06-26 deposited with the CCDC.	2024-11-28 downloaded from the CCDC.
;
_manchester_internal_diff_code   ldpm174
_manchester_internal_coll_client IV-Y
_manchester_internal_coll_date   27/11/20
_manchester_internal_process_date 04/01/21
_manchester_internal_process_user SCC
_manchester_internal_solution_date 04/01/21
_manchester_internal_solution_user SCC
_manchester_internal_refinement_date 04/01/21
_manchester_internal_refinement_user SCC
_manchester_internal_validation_date 06/06/24
_manchester_internal_validation_user SCC
_manchester_internal_archive_date ?
_manchester_internal_archive_user ?
_refine_special_details          
;
The chemically equivalent B-H and 1,3 H-H distances within all borohydride groups were restrained
to be approximately equal.
;
_audit_creation_date             2021-01-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        '[Y(Cp*)(BH4)2]'
_chemical_formula_moiety         'C40 H92 B8 Y4'
_chemical_formula_sum            'C40 H92 B8 Y4'
_chemical_formula_weight         1015.25
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Y C H B'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -0.2670 2.0244 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   16.9654(2)
_cell_length_b                   21.7125(2)
_cell_length_c                   14.55590(10)
_cell_angle_alpha                90
_cell_angle_beta                 90.7350(10)
_cell_angle_gamma                90
_cell_volume                     5361.39(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9618
_cell_measurement_temperature    99.97(12)
_cell_measurement_theta_max      75.7590
_cell_measurement_theta_min      4.4300
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    5.759
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.933
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.258
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       irregular
_exptl_crystal_F_000             2112
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
8 -2 6 0.0308
-8 2 -6 0.0308
7 6 6 0.0297
-7 -6 -6 0.0297
2 14 -2 0.0241
-2 -14 2 0.0241
10 -3 -3 0.0274
-10 3 3 0.0274
1 -6 9 0.0241
-1 6 -9 0.0241
1 7 8 0.0355
-1 -7 -8 0.0355

_exptl_crystal_recrystallization_method 'Recrystallised from benzene at r.t.'
_exptl_crystal_size_max          0.067
_exptl_crystal_size_mid          0.055
_exptl_crystal_size_min          0.048
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
8.0001 -1.9992 5.9999 -0.2714 0.8816 0.3329
-8.0001 1.9992 -5.9999 0.2714 -0.8816 -0.3329
7.0001 6.0010 5.9998 -0.2698 0.9317 -0.2400
-7.0001 -6.0010 -5.9998 0.2698 -0.9317 0.2400
1.9999 14.0000 -2.0001 0.3374 0.2922 -0.9303
-1.9999 -14.0000 2.0001 -0.3374 -0.2922 0.9303
9.9999 -3.0003 -2.9999 0.6555 0.6053 0.4086
-9.9999 3.0003 2.9999 -0.6555 -0.6053 -0.4086
1.0002 -5.9990 8.9999 -0.8464 0.4010 0.4710
-1.0002 5.9990 -8.9999 0.8464 -0.4010 -0.4710
1.0001 7.0012 7.9998 -0.6861 0.5648 -0.4292
-1.0001 -7.0012 -7.9998 0.6861 -0.5648 0.4292

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0358
_diffrn_reflns_av_unetI/netI     0.0444
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            33940
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.174
_diffrn_reflns_theta_min         2.605
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.97(12)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     95.00 132.00   1.00    1.00    --   44.80  60.00 -60.00   37
  2  ω    -44.00  79.00   1.00    1.00    --   44.80  60.00 -90.00  123
  3  ω     15.00 128.00   1.00    1.00    --   44.80  40.00 150.00  113
  4  ω    -45.00 -19.00   1.00    1.00    --   44.80  40.00 150.00   26
  5  ω    -28.00  -3.00   1.00    1.00    --   44.80  60.00 -60.00   25
  6  ω     20.00 197.00   1.00    2.00    --  108.20  20.00 150.00  177
  7  ω    155.00 198.00   1.00    2.00    --  108.20  50.00   0.00   43
  8  ω     64.00  91.00   1.00    2.00    --  108.20  50.00 -90.00   27
  9  ω    105.00 132.00   1.00    2.00    --  108.20  50.00   0.00   27
 10  ω     40.00 197.00   1.00    2.00    --  108.20  50.00 -30.00  157
 11  ω     78.00 124.00   1.00    2.00    --  108.20  50.00  30.00   46
 12  ω    116.00 195.00   1.00    2.00    --  108.20  50.00 -60.00   79
 13  ω     93.00 198.00   1.00    2.00    --  108.20  30.00   0.00  105
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC11 (RINC): quarter-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0385609000
_diffrn_orient_matrix_UB_12      0.0050236000
_diffrn_orient_matrix_UB_13      -0.0949807000
_diffrn_orient_matrix_UB_21      0.0793468000
_diffrn_orient_matrix_UB_22      0.0161839000
_diffrn_orient_matrix_UB_23      0.0465233000
_diffrn_orient_matrix_UB_31      0.0213834000
_diffrn_orient_matrix_UB_32      -0.0689354000
_diffrn_orient_matrix_UB_33      0.0040042000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type              'Rigaku (Cu) X-ray DW Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8342
_reflns_number_total             10851
_reflns_odcompleteness_completeness 99.68
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     68.13
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.466
_refine_diff_density_min         -0.776
_refine_diff_density_rms         0.086
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     585
_refine_ls_number_reflns         10851
_refine_ls_number_restraints     1624
_refine_ls_R_factor_all          0.0475
_refine_ls_R_factor_gt           0.0332
_refine_ls_restrained_S_all      0.983
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0393P)²+2.6355P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0852
_refine_ls_wR_factor_ref         0.0913
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All B(H,H,H,H) groups, All C(H,H,H) groups
2. Restrained distances
 B1-H1B \\sim B1-H1C \\sim B1-H1A \\sim B1-H1D \\sim B2-H2A \\sim B2-H2B \\sim
B2-H2D \\sim B2-H2C \\sim B3-
 H3C \\sim B3-H3B \\sim B3-H3A \\sim B3-H3D \\sim B4-H4A \\sim B4-H4D \\sim
B4-H4C \\sim B4-H4B \\sim B5-H5C ~
 B5-H5B \\sim B5-H5A \\sim B5-H5D \\sim B6-H6E \\sim B6-H6D \\sim B6-H6F \\sim
B6-H6G \\sim B7-H7E \\sim B7-H7D
 \\sim B7-H7G \\sim B7-H7F \\sim B8-H8F \\sim B8-H8D \\sim B8-H8E \\sim B8-H8G
 with sigma of 0.02
 H1D-H1B \\sim H1D-H1C \\sim H1C-H1B \\sim H1C-H1A \\sim H1B-H1A \\sim H1D-H1A
\\sim H2D-H2A \\sim H2D-H2B
 \\sim H2D-H2C \\sim H2C-H2A \\sim H2C-H2B \\sim H2B-H2A \\sim H3D-H3A \\sim
H3D-H3B \\sim H3D-H3C \\sim H3B-
 H3A \\sim H3C-H3B \\sim H3C-H3A \\sim H4C-H4B \\sim H4D-H4B \\sim H4D-H4C
\\sim H4D-H4A \\sim H4B-H4A ~
 H4C-H4A \\sim H5D-H5C \\sim H5D-H5A \\sim H5D-H5B \\sim H5B-H5A \\sim H5C-H5B
\\sim H5C-H5A \\sim H6G-H6E
 \\sim H6G-H6D \\sim H6G-H6F \\sim H6F-H6D \\sim H6F-H6E \\sim H6E-H6D \\sim
H8G-H8D \\sim H8E-H8D \\sim H8F-
 H8D \\sim H8F-H8E \\sim H8G-H8E \\sim H8G-H8F \\sim H7F-H7E \\sim H7G-H7E
\\sim H7G-H7F \\sim H7G-H7D ~
 H7F-H7D \\sim H7E-H7D
 with sigma of 0.02
3.a Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,
 H10B,H10C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C),
 C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C26(H26A,H26B,H26C), C27(H27A,H27B,
 H27C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C30(H30A,H30B,H30C), C36(H36A,
 H36B,H36C), C37(H37A,H37B,H37C), C38(H38A,H38B,H38C), C39(H39A,H39B,H39C),
 C40(H40A,H40B,H40C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   diffmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Y1 Y 0.80899(2) 0.80919(2) 0.32055(2) 0.01759(7) Uani 1 1 d . . . . .
Y2 Y 0.55213(2) 0.68628(2) 0.31629(2) 0.01726(7) Uani 1 1 d . . . . .
Y3 Y 0.30652(2) 0.81706(2) 0.30010(2) 0.01742(7) Uani 1 1 d . . . . .
Y4 Y 0.06459(2) 0.68097(2) 0.30498(2) 0.01773(7) Uani 1 1 d . . . . .
C1 C 0.83427(18) 0.92516(13) 0.3414(2) 0.0233(6) Uani 1 1 d . . . . .
C2 C 0.75989(18) 0.92013(13) 0.2969(2) 0.0254(6) Uani 1 1 d . . . . .
C3 C 0.77229(18) 0.89689(13) 0.2074(2) 0.0243(6) Uani 1 1 d . . . . .
C4 C 0.85423(19) 0.88728(13) 0.1970(2) 0.0258(6) Uani 1 1 d . . . . .
C5 C 0.89257(17) 0.90446(13) 0.2804(2) 0.0227(6) Uani 1 1 d . . . . .
C6 C 0.8498(2) 0.95283(14) 0.4348(2) 0.0332(7) Uani 1 1 d . . . . .
H6A H 0.806545 0.943628 0.474424 0.050 Uiso 1 1 calc GR . . . .
H6B H 0.855217 0.996673 0.429097 0.050 Uiso 1 1 calc GR . . . .
H6C H 0.897462 0.935834 0.460383 0.050 Uiso 1 1 calc GR . . . .
C7 C 0.68185(19) 0.93957(15) 0.3367(3) 0.0370(8) Uani 1 1 d . . . . .
H7A H 0.639608 0.920577 0.302545 0.055 Uiso 1 1 calc GR . . . .
H7B H 0.676847 0.983541 0.333012 0.055 Uiso 1 1 calc GR . . . .
H7C H 0.679531 0.926923 0.399811 0.055 Uiso 1 1 calc GR . . . .
C8 C 0.7101(2) 0.88961(16) 0.1331(2) 0.0399(9) Uani 1 1 d . . . . .
H8A H 0.725234 0.857297 0.091923 0.060 Uiso 1 1 calc GR . . . .
H8B H 0.704843 0.927515 0.099617 0.060 Uiso 1 1 calc GR . . . .
H8C H 0.660612 0.879401 0.160529 0.060 Uiso 1 1 calc GR . . . .
C9 C 0.8936(2) 0.86649(16) 0.1090(2) 0.0391(8) Uani 1 1 d . . . . .
H9A H 0.944672 0.849843 0.123415 0.059 Uiso 1 1 calc GR . . . .
H9B H 0.899078 0.901041 0.068481 0.059 Uiso 1 1 calc GR . . . .
H9C H 0.861779 0.835454 0.079681 0.059 Uiso 1 1 calc GR . . . .
C10 C 0.97987(18) 0.90581(15) 0.2990(3) 0.0330(7) Uani 1 1 d . . . . .
H10A H 0.990609 0.890120 0.359508 0.050 Uiso 1 1 calc GR . . . .
H10B H 0.998608 0.947425 0.294777 0.050 Uiso 1 1 calc GR . . . .
H10C H 1.006180 0.880754 0.254504 0.050 Uiso 1 1 calc GR . . . .
C11 C 0.59943(19) 0.60582(13) 0.1971(2) 0.0242(6) Uani 1 1 d . . . . .
C12 C 0.51686(17) 0.59714(12) 0.20426(19) 0.0204(6) Uani 1 1 d . . . . .
C13 C 0.50153(17) 0.57539(12) 0.29451(19) 0.0202(6) Uani 1 1 d . . . . .
C14 C 0.57447(17) 0.57044(12) 0.3423(2) 0.0211(6) Uani 1 1 d . . . . .
C15 C 0.63494(18) 0.58914(13) 0.2830(2) 0.0228(6) Uani 1 1 d . . . . .
C16 C 0.6418(2) 0.62486(15) 0.1113(2) 0.0371(8) Uani 1 1 d . . . . .
H16A H 0.612073 0.656310 0.080101 0.056 Uiso 1 1 calc GR . . . .
H16B H 0.647416 0.589873 0.071599 0.056 Uiso 1 1 calc GR . . . .
H16C H 0.693049 0.640547 0.127575 0.056 Uiso 1 1 calc GR . . . .
C17 C 0.4575(2) 0.60382(15) 0.1269(2) 0.0348(8) Uani 1 1 d . . . . .
H17A H 0.407706 0.616334 0.151344 0.052 Uiso 1 1 calc GR . . . .
H17B H 0.451467 0.565065 0.095877 0.052 Uiso 1 1 calc GR . . . .
H17C H 0.475543 0.634313 0.084317 0.052 Uiso 1 1 calc GR . . . .
C18 C 0.42222(17) 0.55740(14) 0.3312(2) 0.0287(6) Uani 1 1 d . . . . .
H18A H 0.419372 0.568595 0.394916 0.043 Uiso 1 1 calc GR . . . .
H18B H 0.415190 0.513715 0.325039 0.043 Uiso 1 1 calc GR . . . .
H18C H 0.381523 0.578408 0.297194 0.043 Uiso 1 1 calc GR . . . .
C19 C 0.5862(2) 0.54363(14) 0.4371(2) 0.0301(7) Uani 1 1 d . . . . .
H19A H 0.634160 0.559321 0.463706 0.045 Uiso 1 1 calc GR . . . .
H19B H 0.589200 0.499569 0.432875 0.045 Uiso 1 1 calc GR . . . .
H19C H 0.542555 0.554917 0.474932 0.045 Uiso 1 1 calc GR . . . .
C20 C 0.72174(18) 0.58712(15) 0.3052(3) 0.0343(7) Uani 1 1 d . . . . .
H20A H 0.749436 0.613535 0.263674 0.051 Uiso 1 1 calc GR . . . .
H20B H 0.740603 0.545673 0.298846 0.051 Uiso 1 1 calc GR . . . .
H20C H 0.730592 0.600876 0.367125 0.051 Uiso 1 1 calc GR . . . .
C21 C 0.28604(18) 0.93390(12) 0.2999(2) 0.0238(6) Uani 1 1 d . . . . .
C22 C 0.25780(17) 0.91375(12) 0.2122(2) 0.0209(6) Uani 1 1 d . . . . .
C23 C 0.32310(16) 0.89254(12) 0.16174(19) 0.0188(5) Uani 1 1 d . . . . .
C24 C 0.39186(17) 0.89970(12) 0.2174(2) 0.0216(6) Uani 1 1 d . . . . .
C25 C 0.36902(18) 0.92502(13) 0.3021(2) 0.0239(6) Uani 1 1 d . . . . .
C26 C 0.2377(2) 0.96313(15) 0.3743(3) 0.0395(8) Uani 1 1 d . . . . .
H26A H 0.185378 0.946367 0.372597 0.059 Uiso 1 1 calc GR . . . .
H26B H 0.235338 1.006827 0.364649 0.059 Uiso 1 1 calc GR . . . .
H26C H 0.261729 0.954801 0.433094 0.059 Uiso 1 1 calc GR . . . .
C27 C 0.17529(18) 0.92076(15) 0.1745(3) 0.0330(7) Uani 1 1 d . . . . .
H27A H 0.160897 0.884421 0.140682 0.050 Uiso 1 1 calc GR . . . .
H27B H 0.172903 0.955885 0.134531 0.050 Uiso 1 1 calc GR . . . .
H27C H 0.139440 0.926436 0.224302 0.050 Uiso 1 1 calc GR . . . .
C28 C 0.3202(2) 0.87013(14) 0.0633(2) 0.0296(7) Uani 1 1 d . . . . .
H28A H 0.363700 0.842880 0.052816 0.044 Uiso 1 1 calc GR . . . .
H28B H 0.323411 0.904725 0.022481 0.044 Uiso 1 1 calc GR . . . .
H28C H 0.271579 0.848570 0.052263 0.044 Uiso 1 1 calc GR . . . .
C29 C 0.47525(18) 0.88938(15) 0.1872(3) 0.0325(7) Uani 1 1 d . . . . .
H29A H 0.507371 0.878239 0.239391 0.049 Uiso 1 1 calc GR . . . .
H29B H 0.495297 0.926497 0.160346 0.049 Uiso 1 1 calc GR . . . .
H29C H 0.476332 0.856803 0.142655 0.049 Uiso 1 1 calc GR . . . .
C30 C 0.4245(2) 0.94474(15) 0.3783(2) 0.0374(8) Uani 1 1 d . . . . .
H30A H 0.395948 0.948060 0.434638 0.056 Uiso 1 1 calc GR . . . .
H30B H 0.447071 0.983967 0.363426 0.056 Uiso 1 1 calc GR . . . .
H30C H 0.465679 0.914757 0.385410 0.056 Uiso 1 1 calc GR . . . .
C31 C 0.07253(17) 0.60769(12) 0.1634(2) 0.0215(6) Uani 1 1 d . . . . .
C32 C 0.00999(17) 0.58548(12) 0.2174(2) 0.0205(6) Uani 1 1 d . . . . .
C33 C 0.04289(18) 0.56414(12) 0.30207(19) 0.0220(6) Uani 1 1 d . . . . .
C34 C 0.12536(18) 0.57278(12) 0.2991(2) 0.0234(6) Uani 1 1 d . . . . .
C35 C 0.14397(17) 0.59943(13) 0.2133(2) 0.0232(6) Uani 1 1 d . . . . .
C36 C 0.0650(2) 0.63109(14) 0.0657(2) 0.0330(7) Uani 1 1 d . . . . .
H36A H 0.015139 0.651432 0.057646 0.049 Uiso 1 1 calc GR . . . .
H36B H 0.068210 0.597064 0.023843 0.049 Uiso 1 1 calc GR . . . .
H36C H 0.106842 0.659633 0.053771 0.049 Uiso 1 1 calc GR . . . .
C37 C -0.07443(18) 0.57936(16) 0.1862(3) 0.0344(7) Uani 1 1 d . . . . .
H37A H -0.107656 0.575703 0.238777 0.052 Uiso 1 1 calc GR . . . .
H37B H -0.080116 0.543340 0.148421 0.052 Uiso 1 1 calc GR . . . .
H37C H -0.089444 0.615143 0.151369 0.052 Uiso 1 1 calc GR . . . .
C38 C -0.0016(2) 0.53355(15) 0.3789(2) 0.0375(8) Uani 1 1 d . . . . .
H38A H 0.025188 0.541147 0.436323 0.056 Uiso 1 1 calc GR . . . .
H38B H -0.004216 0.489984 0.368057 0.056 Uiso 1 1 calc GR . . . .
H38C H -0.054009 0.550084 0.381266 0.056 Uiso 1 1 calc GR . . . .
C39 C 0.1848(2) 0.55189(15) 0.3712(2) 0.0368(8) Uani 1 1 d . . . . .
H39A H 0.229526 0.578966 0.371010 0.055 Uiso 1 1 calc GR . . . .
H39B H 0.201592 0.510688 0.357684 0.055 Uiso 1 1 calc GR . . . .
H39C H 0.160925 0.552769 0.430649 0.055 Uiso 1 1 calc GR . . . .
C40 C 0.22558(19) 0.61107(16) 0.1773(3) 0.0356(8) Uani 1 1 d . . . . .
H40A H 0.223562 0.643711 0.132837 0.053 Uiso 1 1 calc GR . . . .
H40B H 0.245081 0.574291 0.148895 0.053 Uiso 1 1 calc GR . . . .
H40C H 0.260034 0.622624 0.227208 0.053 Uiso 1 1 calc GR . . . .
B1 B 0.8113(3) 0.78747(17) 0.4864(3) 0.0337(8) Uani 1 1 d D . . . .
H1A H 0.8017(18) 0.7434(9) 0.4499(19) 0.051 Uiso 1 1 d D . . . .
H1B H 0.7640(14) 0.8207(11) 0.466(2) 0.051 Uiso 1 1 d D . . . .
H1C H 0.8693(11) 0.8075(13) 0.465(2) 0.051 Uiso 1 1 d D . . . .
H1D H 0.8121(18) 0.7810(14) 0.5615(10) 0.051 Uiso 1 1 d D . . . .
B2 B 0.6746(2) 0.75836(16) 0.2640(3) 0.0266(7) Uani 1 1 d D . . . .
H2A H 0.6750(17) 0.8005(9) 0.3071(18) 0.040 Uiso 1 1 d D . . . .
H2B H 0.7245(13) 0.7599(13) 0.2157(16) 0.040 Uiso 1 1 d D . . . .
H2C H 0.6184(11) 0.7548(13) 0.2247(18) 0.040 Uiso 1 1 d D . . . .
H2D H 0.6812(17) 0.7175(10) 0.3096(17) 0.040 Uiso 1 1 d D . . . .
B3 B 0.5506(2) 0.71493(17) 0.4797(3) 0.0332(8) Uani 1 1 d D . . . .
H3A H 0.5449(18) 0.7583(9) 0.4397(19) 0.050 Uiso 1 1 d D . . . .
H3B H 0.6052(12) 0.6904(12) 0.458(2) 0.050 Uiso 1 1 d D . . . .
H3C H 0.4991(13) 0.6846(11) 0.463(2) 0.050 Uiso 1 1 d D . . . .
H3D H 0.5526(18) 0.7243(14) 0.5542(10) 0.050 Uiso 1 1 d D . . . .
B4 B 0.4237(2) 0.73945(16) 0.2508(3) 0.0259(7) Uani 1 1 d D . . . .
H4A H 0.4747(13) 0.7322(13) 0.2050(17) 0.039 Uiso 1 1 d D . . . .
H4B H 0.4153(17) 0.6983(9) 0.2946(18) 0.039 Uiso 1 1 d D . . . .
H4C H 0.3699(12) 0.7481(13) 0.2084(17) 0.039 Uiso 1 1 d D . . . .
H4D H 0.4351(17) 0.7805(10) 0.2952(17) 0.039 Uiso 1 1 d D . . . .
B5 B 0.3070(3) 0.79560(18) 0.4659(3) 0.0347(8) Uani 1 1 d D . . . .
H5A H 0.3009(18) 0.7523(10) 0.4259(19) 0.052 Uiso 1 1 d D . . . .
H5B H 0.3615(12) 0.8201(12) 0.442(2) 0.052 Uiso 1 1 d D . . . .
H5C H 0.2558(13) 0.8263(12) 0.447(2) 0.052 Uiso 1 1 d D . . . .
H5D H 0.3101(19) 0.7878(14) 0.5397(10) 0.052 Uiso 1 1 d D . . . .
B6 B 0.1746(2) 0.76310(16) 0.2460(3) 0.0287(8) Uani 1 1 d D . . . .
H6D H 0.1712(18) 0.8051(9) 0.2896(18) 0.043 Uiso 1 1 d D . . . .
H6E H 0.2205(14) 0.7694(14) 0.1933(16) 0.043 Uiso 1 1 d D . . . .
H6F H 0.1897(17) 0.7230(10) 0.2900(17) 0.043 Uiso 1 1 d D . . . .
H6G H 0.1167(11) 0.7552(14) 0.2114(19) 0.043 Uiso 1 1 d D . . . .
B7 B 0.0747(3) 0.69855(18) 0.4722(3) 0.0365(9) Uani 1 1 d D . . . .
H7D H 0.1315(12) 0.6782(13) 0.449(2) 0.055 Uiso 1 1 d D . . . .
H7E H 0.0635(18) 0.7420(10) 0.433(2) 0.055 Uiso 1 1 d D . . . .
H7F H 0.0264(14) 0.6652(12) 0.453(2) 0.055 Uiso 1 1 d D . . . .
H7G H 0.0758(19) 0.7067(15) 0.5461(10) 0.055 Uiso 1 1 d D . . . .
B8 B -0.0741(2) 0.73147(16) 0.2642(3) 0.0286(7) Uani 1 1 d D . . . .
H8D H -0.1342(10) 0.7342(13) 0.2345(19) 0.043 Uiso 1 1 d D . . . .
H8E H -0.0615(17) 0.7733(10) 0.3065(18) 0.043 Uiso 1 1 d D . . . .
H8F H -0.0698(18) 0.6903(10) 0.3102(18) 0.043 Uiso 1 1 d D . . . .
H8G H -0.0297(14) 0.7276(14) 0.2096(16) 0.043 Uiso 1 1 d D . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Y1 C1 2.571(3) . ?
Y1 C2 2.570(3) . ?
Y1 C3 2.589(3) . ?
Y1 C4 2.595(3) . ?
Y1 C5 2.579(3) . ?
Y1 B1 2.459(4) . ?
Y1 H1A 2.37(3) . ?
Y1 H1B 2.28(3) . ?
Y1 H1C 2.33(3) . ?
Y1 B2 2.653(3) . ?
Y1 H2A 2.29(3) . ?
Y1 H2B 2.34(3) . ?
Y1 B8 2.737(4) 1_655 ?
Y2 C11 2.597(3) . ?
Y2 C12 2.596(3) . ?
Y2 C13 2.575(3) . ?
Y2 C14 2.571(3) . ?
Y2 C15 2.584(3) . ?
Y2 B2 2.718(4) . ?
Y2 H2C 2.30(3) . ?
Y2 H2D 2.29(3) . ?
Y2 B3 2.459(4) . ?
Y2 H3A 2.39(3) . ?
Y2 H3B 2.25(3) . ?
Y2 H3C 2.33(3) . ?
Y2 B4 2.634(3) . ?
Y2 H4A 2.30(3) . ?
Y2 H4B 2.35(3) . ?
Y3 C21 2.561(3) . ?
Y3 C22 2.589(3) . ?
Y3 C23 2.615(3) . ?
Y3 C24 2.610(3) . ?
Y3 C25 2.573(3) . ?
Y3 B4 2.710(3) . ?
Y3 H4C 2.28(3) . ?
Y3 H4D 2.32(3) . ?
Y3 B5 2.458(4) . ?
Y3 H5A 2.31(3) . ?
Y3 H5B 2.25(3) . ?
Y3 H5C 2.33(3) . ?
Y3 B6 2.638(4) . ?
Y3 H6D 2.31(3) . ?
Y3 H6E 2.36(3) . ?
Y4 C31 2.608(3) . ?
Y4 C32 2.599(3) . ?
Y4 C33 2.564(3) . ?
Y4 C34 2.567(3) . ?
Y4 C35 2.603(3) . ?
Y4 B6 2.728(4) . ?
Y4 H6F 2.32(3) . ?
Y4 H6G 2.30(3) . ?
Y4 B7 2.468(4) . ?
Y4 H7D 2.37(3) . ?
Y4 H7E 2.29(3) . ?
Y4 H7F 2.29(3) . ?
Y4 B8 2.657(4) . ?
Y4 H8F 2.29(3) . ?
Y4 H8G 2.33(3) . ?
C1 C2 1.415(4) . ?
C1 C5 1.411(4) . ?
C1 C6 1.507(4) . ?
C2 C3 1.416(4) . ?
C2 C7 1.512(4) . ?
C3 C4 1.416(4) . ?
C3 C8 1.509(4) . ?
C4 C5 1.420(4) . ?
C4 C9 1.520(4) . ?
C5 C10 1.503(4) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.419(4) . ?
C11 C15 1.428(4) . ?
C11 C16 1.507(4) . ?
C12 C13 1.423(4) . ?
C12 C17 1.508(4) . ?
C13 C14 1.416(4) . ?
C13 C18 1.506(4) . ?
C14 C15 1.409(4) . ?
C14 C19 1.507(4) . ?
C15 C20 1.504(4) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 C22 1.426(4) . ?
C21 C25 1.421(4) . ?
C21 C26 1.507(4) . ?
C22 C23 1.414(4) . ?
C22 C27 1.505(4) . ?
C23 C24 1.420(4) . ?
C23 C28 1.513(4) . ?
C24 C25 1.409(4) . ?
C24 C29 1.503(4) . ?
C25 C30 1.507(4) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 C32 1.413(4) . ?
C31 C35 1.417(4) . ?
C31 C36 1.513(4) . ?
C32 C33 1.424(4) . ?
C32 C37 1.503(4) . ?
C33 C34 1.413(4) . ?
C33 C38 1.511(4) . ?
C34 C35 1.416(4) . ?
C34 C39 1.516(4) . ?
C35 C40 1.508(4) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
B1 H1A 1.105(14) . ?
B1 H1B 1.117(14) . ?
B1 H1C 1.123(14) . ?
B1 H1D 1.102(14) . ?
B2 H2A 1.109(13) . ?
B2 H2B 1.107(14) . ?
B2 H2C 1.110(14) . ?
B2 H2D 1.113(14) . ?
B3 H3A 1.110(14) . ?
B3 H3B 1.116(14) . ?
B3 H3C 1.118(14) . ?
B3 H3D 1.103(14) . ?
B4 H4A 1.110(14) . ?
B4 H4B 1.107(13) . ?
B4 H4C 1.112(13) . ?
B4 H4D 1.116(14) . ?
B5 H5A 1.109(14) . ?
B5 H5B 1.127(14) . ?
B5 H5C 1.125(14) . ?
B5 H5D 1.088(14) . ?
B6 H6D 1.112(14) . ?
B6 H6E 1.108(14) . ?
B6 H6F 1.109(14) . ?
B6 H6G 1.112(14) . ?
B7 H7D 1.118(14) . ?
B7 H7E 1.114(14) . ?
B7 H7F 1.124(14) . ?
B7 H7G 1.091(14) . ?
B8 H8D 1.103(14) . ?
B8 H8E 1.116(14) . ?
B8 H8F 1.118(14) . ?
B8 H8G 1.106(14) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Y1 C3 52.64(9) . . ?
C1 Y1 C4 52.52(9) . . ?
C1 Y1 C5 31.79(10) . . ?
C1 Y1 H1A 120.5(4) . . ?
C1 Y1 H1B 80.8(7) . . ?
C1 Y1 H1C 80.7(7) . . ?
C1 Y1 B2 125.81(10) . . ?
C1 Y1 H2A 104.8(5) . . ?
C1 Y1 H2B 128.7(7) . . ?
C1 Y1 B8 121.24(11) . 1_655 ?
C2 Y1 C1 31.94(10) . . ?
C2 Y1 C3 31.86(10) . . ?
C2 Y1 C4 52.65(10) . . ?
C2 Y1 C5 52.86(9) . . ?
C2 Y1 H1A 130.7(5) . . ?
C2 Y1 H1B 84.8(5) . . ?
C2 Y1 H1C 105.9(7) . . ?
C2 Y1 B2 94.17(10) . . ?
C2 Y1 H2A 75.3(6) . . ?
C2 Y1 H2B 98.4(7) . . ?
C2 Y1 B8 140.57(11) . 1_655 ?
C3 Y1 C4 31.70(10) . . ?
C3 Y1 H1A 159.3(7) . . ?
C3 Y1 H1B 115.5(4) . . ?
C3 Y1 H1C 133.3(7) . . ?
C3 Y1 B2 84.84(10) . . ?
C3 Y1 H2A 77.0(7) . . ?
C3 Y1 H2B 77.3(7) . . ?
C3 Y1 B8 115.60(11) . 1_655 ?
C4 Y1 H1A 164.6(7) . . ?
C4 Y1 H1B 132.8(6) . . ?
C4 Y1 H1C 120.4(5) . . ?
C4 Y1 B2 108.51(11) . . ?
C4 Y1 H2A 107.3(7) . . ?
C4 Y1 H2B 91.8(6) . . ?
C4 Y1 B8 88.48(11) . 1_655 ?
C5 Y1 C3 52.72(9) . . ?
C5 Y1 C4 31.85(9) . . ?
C5 Y1 H1A 134.3(5) . . ?
C5 Y1 H1B 108.4(8) . . ?
C5 Y1 H1C 88.9(5) . . ?
C5 Y1 B2 137.38(10) . . ?
C5 Y1 H2A 126.5(6) . . ?
C5 Y1 H2B 123.6(6) . . ?
C5 Y1 B8 91.38(10) . 1_655 ?
B1 Y1 C1 94.10(11) . . ?
B1 Y1 C2 108.19(12) . . ?
B1 Y1 C3 140.04(11) . . ?
B1 Y1 C4 143.55(12) . . ?
B1 Y1 C5 111.98(12) . . ?
B1 Y1 H1A 26.4(3) . . ?
B1 Y1 H1B 26.9(4) . . ?
B1 Y1 H1C 27.0(4) . . ?
B1 Y1 B2 103.15(13) . . ?
B1 Y1 H2A 94.1(7) . . ?
B1 Y1 H2B 123.7(5) . . ?
B1 Y1 B8 99.96(12) . 1_655 ?
H1A Y1 H1B 45.9(6) . . ?
H1A Y1 H1C 45.5(5) . . ?
H1A Y1 H2A 87.5(10) . . ?
H1A Y1 H2B 101.8(8) . . ?
H1B Y1 H1C 46.3(6) . . ?
H1B Y1 H2A 75.2(9) . . ?
H1B Y1 H2B 116.6(8) . . ?
H1C Y1 H2A 120.1(8) . . ?
H1C Y1 H2B 147.3(8) . . ?
B2 Y1 H1A 86.7(6) . . ?
B2 Y1 H1B 92.1(7) . . ?
B2 Y1 H1C 129.8(4) . . ?
B2 Y1 H2A 24.5(3) . . ?
B2 Y1 H2B 24.6(3) . . ?
B2 Y1 B8 105.87(11) . 1_655 ?
H2A Y1 H2B 46.1(5) . . ?
B8 Y1 H1A 84.9(6) 1_655 . ?
B8 Y1 H1B 126.8(4) 1_655 . ?
B8 Y1 H1C 87.1(7) 1_655 . ?
B8 Y1 H2A 130.3(4) 1_655 . ?
B8 Y1 H2B 87.9(5) 1_655 . ?
C11 Y2 B2 87.50(10) . . ?
C11 Y2 H2C 83.7(7) . . ?
C11 Y2 H2D 82.4(7) . . ?
C11 Y2 H3A 164.4(7) . . ?
C11 Y2 H3B 121.2(4) . . ?
C11 Y2 H3C 136.8(6) . . ?
C11 Y2 B4 108.31(11) . . ?
C11 Y2 H4A 90.0(5) . . ?
C11 Y2 H4B 107.3(7) . . ?
C12 Y2 C11 31.71(9) . . ?
C12 Y2 B2 115.12(10) . . ?
C12 Y2 H2C 103.2(6) . . ?
C12 Y2 H2D 113.9(7) . . ?
C12 Y2 H3A 161.4(7) . . ?
C12 Y2 H3B 134.0(7) . . ?
C12 Y2 H3C 118.4(4) . . ?
C12 Y2 B4 85.20(10) . . ?
C12 Y2 H4A 75.8(7) . . ?
C12 Y2 H4B 77.3(7) . . ?
C13 Y2 C11 52.69(9) . . ?
C13 Y2 C12 31.95(9) . . ?
C13 Y2 C15 52.75(9) . . ?
C13 Y2 B2 139.38(10) . . ?
C13 Y2 H2C 134.3(7) . . ?
C13 Y2 H2D 126.0(6) . . ?
C13 Y2 H3A 133.3(5) . . ?
C13 Y2 H3B 106.2(7) . . ?
C13 Y2 H3C 88.1(5) . . ?
C13 Y2 B4 95.29(10) . . ?
C13 Y2 H4A 97.6(7) . . ?
C13 Y2 H4B 76.2(5) . . ?
C14 Y2 C11 52.71(9) . . ?
C14 Y2 C12 52.81(8) . . ?
C14 Y2 C13 31.95(9) . . ?
C14 Y2 C15 31.73(9) . . ?
C14 Y2 B2 119.52(10) . . ?
C14 Y2 H2C 130.2(7) . . ?
C14 Y2 H2D 99.0(5) . . ?
C14 Y2 H3A 122.6(4) . . ?
C14 Y2 H3B 81.2(6) . . ?
C14 Y2 H3C 84.7(7) . . ?
C14 Y2 B4 127.01(10) . . ?
C14 Y2 H4A 127.6(7) . . ?
C14 Y2 H4B 105.8(5) . . ?
C15 Y2 C11 32.00(9) . . ?
C15 Y2 C12 52.77(9) . . ?
C15 Y2 B2 89.88(10) . . ?
C15 Y2 H2C 98.5(7) . . ?
C15 Y2 H2D 73.2(6) . . ?
C15 Y2 H3A 135.2(6) . . ?
C15 Y2 H3B 89.6(5) . . ?
C15 Y2 H3C 112.1(7) . . ?
C15 Y2 B4 137.67(10) . . ?
C15 Y2 H4A 121.9(6) . . ?
C15 Y2 H4B 127.1(6) . . ?
B2 Y2 H2C 23.7(4) . . ?
B2 Y2 H2D 23.8(4) . . ?
B2 Y2 H3A 83.1(6) . . ?
B2 Y2 H3B 86.3(7) . . ?
B2 Y2 H3C 124.8(4) . . ?
B2 Y2 H4A 89.2(6) . . ?
B2 Y2 H4B 130.9(3) . . ?
H2C Y2 H2D 46.5(5) . . ?
H2C Y2 H3A 92.4(8) . . ?
H2C Y2 H3B 108.4(8) . . ?
H2C Y2 H3C 137.6(9) . . ?
H2C Y2 H4A 65.8(7) . . ?
H2C Y2 H4B 109.8(5) . . ?
H2D Y2 H3A 84.1(10) . . ?
H2D Y2 H3B 69.9(9) . . ?
H2D Y2 H3C 115.0(8) . . ?
H2D Y2 H4A 112.3(6) . . ?
H2D Y2 H4B 154.3(6) . . ?
B3 Y2 C11 145.46(12) . . ?
B3 Y2 C12 142.28(11) . . ?
B3 Y2 C13 110.37(11) . . ?
B3 Y2 C14 96.21(11) . . ?
B3 Y2 C15 113.60(12) . . ?
B3 Y2 B2 98.19(12) . . ?
B3 Y2 H2C 114.1(6) . . ?
B3 Y2 H2D 89.3(7) . . ?
B3 Y2 H3A 26.4(3) . . ?
B3 Y2 H3B 26.9(4) . . ?
B3 Y2 H3C 26.8(4) . . ?
B3 Y2 B4 102.75(13) . . ?
B3 Y2 H4A 124.0(5) . . ?
B3 Y2 H4B 94.5(7) . . ?
H3A Y2 H3B 45.9(6) . . ?
H3A Y2 H3C 45.2(5) . . ?
H3A Y2 H4A 102.3(7) . . ?
H3A Y2 H4B 88.2(10) . . ?
H3B Y2 H3C 46.4(6) . . ?
H3B Y2 H4A 148.2(8) . . ?
H3B Y2 H4B 120.1(8) . . ?
H3C Y2 H4A 115.4(7) . . ?
H3C Y2 H4B 74.5(8) . . ?
B4 Y2 B2 106.16(11) . . ?
B4 Y2 H2C 85.1(5) . . ?
B4 Y2 H2D 129.8(4) . . ?
B4 Y2 H3A 86.3(6) . . ?
B4 Y2 H3B 129.5(4) . . ?
B4 Y2 H3C 90.7(7) . . ?
B4 Y2 H4A 24.8(3) . . ?
B4 Y2 H4B 24.8(3) . . ?
H4A Y2 H4B 45.9(5) . . ?
C21 Y3 C22 32.15(9) . . ?
C21 Y3 C23 52.69(9) . . ?
C21 Y3 C24 52.72(9) . . ?
C21 Y3 C25 32.14(10) . . ?
C21 Y3 B4 135.70(10) . . ?
C21 Y3 H4C 135.5(7) . . ?
C21 Y3 H4D 117.8(5) . . ?
C21 Y3 H5A 126.6(4) . . ?
C21 Y3 H5B 91.5(7) . . ?
C21 Y3 H5C 82.2(6) . . ?
C21 Y3 B6 108.97(10) . . ?
C21 Y3 H6D 88.7(5) . . ?
C21 Y3 H6E 110.6(7) . . ?
C22 Y3 C23 31.53(9) . . ?
C22 Y3 C24 52.40(9) . . ?
C22 Y3 B4 127.16(10) . . ?
C22 Y3 H4C 113.1(6) . . ?
C22 Y3 H4D 123.8(7) . . ?
C22 Y3 H5A 150.3(6) . . ?
C22 Y3 H5B 123.6(7) . . ?
C22 Y3 H5C 105.4(5) . . ?
C22 Y3 B6 87.04(10) . . ?
C22 Y3 H6D 75.4(7) . . ?
C22 Y3 H6E 80.7(7) . . ?
C23 Y3 B4 95.69(10) . . ?
C23 Y3 H4C 84.5(7) . . ?
C23 Y3 H4D 94.6(7) . . ?
C23 Y3 H5A 175.9(7) . . ?
C23 Y3 H5B 129.7(5) . . ?
C23 Y3 H5C 134.4(5) . . ?
C23 Y3 B6 98.49(10) . . ?
C23 Y3 H6D 97.8(7) . . ?
C23 Y3 H6E 80.7(6) . . ?
C24 Y3 C23 31.54(9) . . ?
C24 Y3 B4 83.80(10) . . ?
C24 Y3 H4C 85.0(7) . . ?
C24 Y3 H4D 72.2(7) . . ?
C24 Y3 H5A 144.4(7) . . ?
C24 Y3 H5B 100.2(4) . . ?
C24 Y3 H5C 125.4(7) . . ?
C24 Y3 B6 129.89(10) . . ?
C24 Y3 H6D 127.1(7) . . ?
C24 Y3 H6E 109.9(5) . . ?
C25 Y3 C22 52.81(9) . . ?
C25 Y3 C23 52.35(9) . . ?
C25 Y3 C24 31.54(9) . . ?
C25 Y3 B4 105.42(10) . . ?
C25 Y3 H4C 114.0(7) . . ?
C25 Y3 H4D 85.7(5) . . ?
C25 Y3 H5A 124.5(5) . . ?
C25 Y3 H5B 78.3(6) . . ?
C25 Y3 H5C 93.9(7) . . ?
C25 Y3 B6 139.12(10) . . ?
C25 Y3 H6D 120.8(5) . . ?
C25 Y3 H6E 131.2(6) . . ?
B4 Y3 H4C 23.8(4) . . ?
B4 Y3 H4D 24.1(3) . . ?
B4 Y3 H5A 82.5(7) . . ?
B4 Y3 H5B 88.0(7) . . ?
B4 Y3 H5C 125.4(4) . . ?
B4 Y3 H6D 130.0(4) . . ?
B4 Y3 H6E 90.1(6) . . ?
H4C Y3 H4D 46.3(5) . . ?
H4C Y3 H5A 95.1(8) . . ?
H4C Y3 H5B 111.2(8) . . ?
H4C Y3 H5C 141.0(8) . . ?
H4C Y3 H6D 111.2(6) . . ?
H4C Y3 H6E 67.6(7) . . ?
H4D Y3 H5A 82.2(10) . . ?
H4D Y3 H5B 70.2(9) . . ?
H4D Y3 H5C 114.6(7) . . ?
H4D Y3 H6D 153.0(6) . . ?
H4D Y3 H6E 113.8(6) . . ?
B5 Y3 C21 100.83(11) . . ?
B5 Y3 C22 129.50(11) . . ?
B5 Y3 C23 151.19(11) . . ?
B5 Y3 C24 126.06(12) . . ?
B5 Y3 C25 99.53(11) . . ?
B5 Y3 B4 98.58(13) . . ?
B5 Y3 H4C 117.0(6) . . ?
B5 Y3 H4D 88.5(7) . . ?
B5 Y3 H5A 26.7(4) . . ?
B5 Y3 H5B 27.2(4) . . ?
B5 Y3 H5C 27.0(4) . . ?
B5 Y3 B6 101.59(13) . . ?
B5 Y3 H6D 92.0(7) . . ?
B5 Y3 H6E 123.9(5) . . ?
H5A Y3 H5B 46.7(6) . . ?
H5A Y3 H5C 45.9(6) . . ?
H5A Y3 H6D 86.1(11) . . ?
H5A Y3 H6E 102.9(7) . . ?
H5B Y3 H5C 46.2(6) . . ?
H5B Y3 H6D 117.5(8) . . ?
H5B Y3 H6E 149.5(7) . . ?
H5C Y3 H6D 72.1(9) . . ?
H5C Y3 H6E 114.3(7) . . ?
B6 Y3 B4 105.50(11) . . ?
B6 Y3 H4C 86.5(5) . . ?
B6 Y3 H4D 129.2(4) . . ?
B6 Y3 H5A 85.6(7) . . ?
B6 Y3 H5B 128.7(4) . . ?
B6 Y3 H5C 89.5(7) . . ?
B6 Y3 H6D 24.9(3) . . ?
B6 Y3 H6E 24.8(3) . . ?
H6D Y3 H6E 45.7(5) . . ?
C31 Y4 B6 96.18(10) . . ?
C31 Y4 H6F 96.2(7) . . ?
C31 Y4 H6G 86.3(7) . . ?
C31 Y4 H7D 130.8(5) . . ?
C31 Y4 H7E 176.6(6) . . ?
C31 Y4 H7F 132.3(5) . . ?
C31 Y4 B8 97.47(10) . . ?
C31 Y4 H8F 98.1(8) . . ?
C31 Y4 H8G 80.6(6) . . ?
C32 Y4 C31 31.49(9) . . ?
C32 Y4 C35 52.36(9) . . ?
C32 Y4 B6 127.46(11) . . ?
C32 Y4 H6F 126.0(7) . . ?
C32 Y4 H6G 114.0(6) . . ?
C32 Y4 H7D 125.3(7) . . ?
C32 Y4 H7E 148.8(7) . . ?
C32 Y4 H7F 103.9(4) . . ?
C32 Y4 B8 84.87(10) . . ?
C32 Y4 H8F 74.8(7) . . ?
C32 Y4 H8G 79.4(7) . . ?
C33 Y4 C31 52.57(9) . . ?
C33 Y4 C32 32.02(9) . . ?
C33 Y4 C34 31.97(9) . . ?
C33 Y4 C35 52.66(9) . . ?
C33 Y4 B6 137.76(11) . . ?
C33 Y4 H6F 121.2(6) . . ?
C33 Y4 H6G 137.9(7) . . ?
C33 Y4 H7D 93.3(7) . . ?
C33 Y4 H7E 125.6(4) . . ?
C33 Y4 H7F 80.0(6) . . ?
C33 Y4 B8 106.15(10) . . ?
C33 Y4 H8F 86.9(5) . . ?
C33 Y4 H8G 108.8(7) . . ?
C34 Y4 C31 52.47(9) . . ?
C34 Y4 C32 52.73(9) . . ?
C34 Y4 C35 31.77(10) . . ?
C34 Y4 B6 108.12(11) . . ?
C34 Y4 H6F 89.3(5) . . ?
C34 Y4 H6G 117.7(7) . . ?
C34 Y4 H7D 79.5(6) . . ?
C34 Y4 H7E 124.3(4) . . ?
C34 Y4 H7F 90.8(8) . . ?
C34 Y4 B8 136.49(10) . . ?
C34 Y4 H8F 118.8(6) . . ?
C34 Y4 H8G 130.5(7) . . ?
C35 Y4 C31 31.55(9) . . ?
C35 Y4 B6 85.57(10) . . ?
C35 Y4 H6F 74.9(7) . . ?
C35 Y4 H6G 88.2(8) . . ?
C35 Y4 H7D 101.0(4) . . ?
C35 Y4 H7E 145.2(7) . . ?
C35 Y4 H7F 122.5(8) . . ?
C35 Y4 B8 128.99(10) . . ?
C35 Y4 H8F 126.8(7) . . ?
C35 Y4 H8G 110.2(5) . . ?
B6 Y4 H6F 23.7(4) . . ?
B6 Y4 H6G 23.6(4) . . ?
B6 Y4 H7D 88.4(7) . . ?
B6 Y4 H7E 83.8(7) . . ?
B6 Y4 H7F 126.7(4) . . ?
B6 Y4 H8F 129.6(4) . . ?
B6 Y4 H8G 89.8(6) . . ?
H6F Y4 H6G 46.3(5) . . ?
H6F Y4 H7D 70.4(8) . . ?
H6F Y4 H7E 82.3(11) . . ?
H6F Y4 H7F 114.7(7) . . ?
H6F Y4 H8F 151.5(7) . . ?
H6F Y4 H8G 113.2(6) . . ?
H6G Y4 H7D 111.0(8) . . ?
H6G Y4 H7E 94.9(8) . . ?
H6G Y4 H7F 141.3(9) . . ?
H6G Y4 H8F 110.4(6) . . ?
H6G Y4 H8G 67.0(7) . . ?
B7 Y4 C31 150.46(11) . . ?
B7 Y4 C32 128.86(12) . . ?
B7 Y4 C33 100.23(11) . . ?
B7 Y4 C34 98.71(12) . . ?
B7 Y4 C35 125.51(12) . . ?
B7 Y4 B6 99.79(13) . . ?
B7 Y4 H6F 88.8(7) . . ?
B7 Y4 H6G 117.0(6) . . ?
B7 Y4 H7D 26.6(4) . . ?
B7 Y4 H7E 26.7(4) . . ?
B7 Y4 H7F 27.0(4) . . ?
B7 Y4 B8 101.92(13) . . ?
B7 Y4 H8F 90.6(7) . . ?
B7 Y4 H8G 123.9(5) . . ?
H7D Y4 H7E 45.8(6) . . ?
H7D Y4 H7F 45.7(6) . . ?
H7D Y4 H8F 116.1(7) . . ?
H7D Y4 H8G 148.5(8) . . ?
H7E Y4 H7F 46.5(6) . . ?
H7E Y4 H8F 84.5(11) . . ?
H7E Y4 H8G 102.8(8) . . ?
H7F Y4 H8F 71.8(9) . . ?
H7F Y4 H8G 115.2(8) . . ?
B8 Y4 B6 105.53(11) . . ?
B8 Y4 H6F 128.7(4) . . ?
B8 Y4 H6G 85.7(5) . . ?
B8 Y4 H7D 128.4(4) . . ?
B8 Y4 H7E 85.8(7) . . ?
B8 Y4 H7F 90.7(7) . . ?
B8 Y4 H8F 24.7(4) . . ?
B8 Y4 H8G 24.5(3) . . ?
H8F Y4 H8G 46.1(5) . . ?
C2 C1 Y1 73.99(16) . . ?
C2 C1 C6 126.0(3) . . ?
C5 C1 Y1 74.41(16) . . ?
C5 C1 C2 108.4(3) . . ?
C5 C1 C6 125.4(3) . . ?
C6 C1 Y1 121.59(19) . . ?
C1 C2 Y1 74.07(16) . . ?
C1 C2 C3 107.8(3) . . ?
C1 C2 C7 125.7(3) . . ?
C3 C2 Y1 74.78(17) . . ?
C3 C2 C7 126.4(3) . . ?
C7 C2 Y1 119.6(2) . . ?
C2 C3 Y1 73.36(16) . . ?
C2 C3 C8 125.9(3) . . ?
C4 C3 Y1 74.39(17) . . ?
C4 C3 C2 108.0(3) . . ?
C4 C3 C8 125.9(3) . . ?
C8 C3 Y1 122.62(19) . . ?
C3 C4 Y1 73.91(17) . . ?
C3 C4 C5 108.0(3) . . ?
C3 C4 C9 125.2(3) . . ?
C5 C4 Y1 73.47(17) . . ?
C5 C4 C9 126.7(3) . . ?
C9 C4 Y1 121.8(2) . . ?
C1 C5 Y1 73.80(16) . . ?
C1 C5 C4 107.7(3) . . ?
C1 C5 C10 125.3(3) . . ?
C4 C5 Y1 74.68(17) . . ?
C4 C5 C10 126.8(3) . . ?
C10 C5 Y1 121.2(2) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 Y2 74.10(16) . . ?
C12 C11 C15 107.9(3) . . ?
C12 C11 C16 125.5(3) . . ?
C15 C11 Y2 73.48(16) . . ?
C15 C11 C16 126.5(3) . . ?
C16 C11 Y2 121.60(19) . . ?
C11 C12 Y2 74.19(16) . . ?
C11 C12 C13 107.7(2) . . ?
C11 C12 C17 125.6(3) . . ?
C13 C12 Y2 73.20(15) . . ?
C13 C12 C17 126.4(3) . . ?
C17 C12 Y2 122.93(19) . . ?
C12 C13 Y2 74.86(16) . . ?
C12 C13 C18 126.1(3) . . ?
C14 C13 Y2 73.89(15) . . ?
C14 C13 C12 108.1(3) . . ?
C14 C13 C18 125.8(3) . . ?
C18 C13 Y2 119.80(19) . . ?
C13 C14 Y2 74.16(15) . . ?
C13 C14 C19 125.6(3) . . ?
C15 C14 Y2 74.63(16) . . ?
C15 C14 C13 108.4(3) . . ?
C15 C14 C19 125.7(3) . . ?
C19 C14 Y2 122.01(19) . . ?
C11 C15 Y2 74.52(16) . . ?
C11 C15 C20 126.6(3) . . ?
C14 C15 Y2 73.64(16) . . ?
C14 C15 C11 107.9(3) . . ?
C14 C15 C20 125.3(3) . . ?
C20 C15 Y2 121.12(19) . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
C12 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 Y3 75.00(15) . . ?
C22 C21 C26 126.4(3) . . ?
C25 C21 Y3 74.40(16) . . ?
C25 C21 C22 107.5(3) . . ?
C25 C21 C26 126.1(3) . . ?
C26 C21 Y3 119.4(2) . . ?
C21 C22 Y3 72.85(15) . . ?
C21 C22 C27 126.5(3) . . ?
C23 C22 Y3 75.25(15) . . ?
C23 C22 C21 108.0(3) . . ?
C23 C22 C27 125.1(3) . . ?
C27 C22 Y3 123.50(19) . . ?
C22 C23 Y3 73.22(15) . . ?
C22 C23 C24 108.1(3) . . ?
C22 C23 C28 125.5(3) . . ?
C24 C23 Y3 74.04(16) . . ?
C24 C23 C28 126.3(3) . . ?
C28 C23 Y3 121.67(18) . . ?
C23 C24 Y3 74.41(16) . . ?
C23 C24 C29 125.9(3) . . ?
C25 C24 Y3 72.78(17) . . ?
C25 C24 C23 108.0(3) . . ?
C25 C24 C29 125.7(3) . . ?
C29 C24 Y3 124.18(19) . . ?
C21 C25 Y3 73.47(16) . . ?
C21 C25 C30 125.9(3) . . ?
C24 C25 Y3 75.68(16) . . ?
C24 C25 C21 108.5(3) . . ?
C24 C25 C30 125.4(3) . . ?
C30 C25 Y3 121.4(2) . . ?
C21 C26 H26A 109.5 . . ?
C21 C26 H26B 109.5 . . ?
C21 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C22 C27 H27A 109.5 . . ?
C22 C27 H27B 109.5 . . ?
C22 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C23 C28 H28A 109.5 . . ?
C23 C28 H28B 109.5 . . ?
C23 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C24 C29 H29A 109.5 . . ?
C24 C29 H29B 109.5 . . ?
C24 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C25 C30 H30A 109.5 . . ?
C25 C30 H30B 109.5 . . ?
C25 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 Y4 73.87(16) . . ?
C32 C31 C35 108.4(3) . . ?
C32 C31 C36 125.6(3) . . ?
C35 C31 Y4 74.00(17) . . ?
C35 C31 C36 125.9(3) . . ?
C36 C31 Y4 122.18(19) . . ?
C31 C32 Y4 74.64(16) . . ?
C31 C32 C33 107.7(2) . . ?
C31 C32 C37 125.6(3) . . ?
C33 C32 Y4 72.63(15) . . ?
C33 C32 C37 126.5(3) . . ?
C37 C32 Y4 123.4(2) . . ?
C32 C33 Y4 75.34(15) . . ?
C32 C33 C38 126.2(3) . . ?
C34 C33 Y4 74.16(16) . . ?
C34 C33 C32 107.9(3) . . ?
C34 C33 C38 125.8(3) . . ?
C38 C33 Y4 119.7(2) . . ?
C33 C34 Y4 73.87(16) . . ?
C33 C34 C35 108.3(3) . . ?
C33 C34 C39 126.1(3) . . ?
C35 C34 Y4 75.50(16) . . ?
C35 C34 C39 125.4(3) . . ?
C39 C34 Y4 120.99(19) . . ?
C31 C35 Y4 74.45(17) . . ?
C31 C35 C40 125.7(3) . . ?
C34 C35 Y4 72.73(17) . . ?
C34 C35 C31 107.8(3) . . ?
C34 C35 C40 126.3(3) . . ?
C40 C35 Y4 123.2(2) . . ?
C31 C36 H36A 109.5 . . ?
C31 C36 H36B 109.5 . . ?
C31 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C32 C37 H37A 109.5 . . ?
C32 C37 H37B 109.5 . . ?
C32 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C33 C38 H38A 109.5 . . ?
C33 C38 H38B 109.5 . . ?
C33 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C34 C39 H39A 109.5 . . ?
C34 C39 H39B 109.5 . . ?
C34 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C35 C40 H40A 109.5 . . ?
C35 C40 H40B 109.5 . . ?
C35 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Y1 B1 H1A 72.2(16) . . ?
Y1 B1 H1B 67.3(16) . . ?
Y1 B1 H1C 69.9(16) . . ?
Y1 B1 H1D 176.3(16) . . ?
H1A B1 H1B 109.3(14) . . ?
H1A B1 H1C 109.1(14) . . ?
H1A B1 H1D 111.4(14) . . ?
H1B B1 H1C 107.9(13) . . ?
H1B B1 H1D 110.1(14) . . ?
H1C B1 H1D 109.0(14) . . ?
Y1 B2 Y2 144.06(15) . . ?
Y1 B2 H2A 58.9(15) . . ?
Y1 B2 H2B 61.6(15) . . ?
Y1 B2 H2C 156.8(15) . . ?
Y1 B2 H2D 93.9(15) . . ?
Y2 B2 H2A 108.4(15) . . ?
Y2 B2 H2B 142.0(15) . . ?
Y2 B2 H2C 56.5(15) . . ?
Y2 B2 H2D 56.2(15) . . ?
H2A B2 H2B 109.6(13) . . ?
H2A B2 H2C 110.3(13) . . ?
H2A B2 H2D 108.8(13) . . ?
H2B B2 H2C 109.5(13) . . ?
H2B B2 H2D 109.4(13) . . ?
H2C B2 H2D 109.3(13) . . ?
Y2 B3 H3A 73.1(16) . . ?
Y2 B3 H3B 65.8(16) . . ?
Y2 B3 H3C 70.1(16) . . ?
Y2 B3 H3D 175.3(16) . . ?
H3A B3 H3B 109.0(14) . . ?
H3A B3 H3C 108.8(14) . . ?
H3A B3 H3D 111.2(14) . . ?
H3B B3 H3C 107.9(13) . . ?
H3B B3 H3D 110.3(14) . . ?
H3C B3 H3D 109.6(14) . . ?
Y2 B4 Y3 141.52(15) . . ?
Y2 B4 H4A 60.5(15) . . ?
Y2 B4 H4B 63.3(15) . . ?
Y2 B4 H4C 160.9(15) . . ?
Y2 B4 H4D 90.2(15) . . ?
Y3 B4 H4A 145.9(15) . . ?
Y3 B4 H4B 104.4(15) . . ?
Y3 B4 H4C 56.1(15) . . ?
Y3 B4 H4D 58.1(15) . . ?
H4A B4 H4B 109.8(13) . . ?
H4A B4 H4C 109.4(13) . . ?
H4A B4 H4D 109.3(13) . . ?
H4B B4 H4C 110.1(13) . . ?
H4B B4 H4D 109.4(13) . . ?
H4C B4 H4D 108.8(13) . . ?
Y3 B5 H5A 69.3(16) . . ?
Y3 B5 H5B 66.3(17) . . ?
Y3 B5 H5C 70.2(17) . . ?
Y3 B5 H5D 176.7(17) . . ?
H5A B5 H5B 108.1(14) . . ?
H5A B5 H5C 108.1(14) . . ?
H5A B5 H5D 112.9(14) . . ?
H5B B5 H5C 106.3(13) . . ?
H5B B5 H5D 110.5(14) . . ?
H5C B5 H5D 110.8(14) . . ?
Y3 B6 Y4 141.05(16) . . ?
Y3 B6 H6D 61.0(16) . . ?
Y3 B6 H6E 63.3(16) . . ?
Y3 B6 H6F 89.3(15) . . ?
Y3 B6 H6G 161.0(15) . . ?
Y4 B6 H6D 108.4(16) . . ?
Y4 B6 H6E 142.0(16) . . ?
Y4 B6 H6F 57.2(15) . . ?
Y4 B6 H6G 55.8(15) . . ?
H6D B6 H6E 109.6(13) . . ?
H6D B6 H6F 109.1(13) . . ?
H6D B6 H6G 109.4(13) . . ?
H6E B6 H6F 109.7(13) . . ?
H6E B6 H6G 109.3(13) . . ?
H6F B6 H6G 109.7(13) . . ?
Y4 B7 H7D 71.7(17) . . ?
Y4 B7 H7E 67.8(17) . . ?
Y4 B7 H7F 67.5(17) . . ?
Y4 B7 H7G 176.9(17) . . ?
H7D B7 H7E 108.7(14) . . ?
H7D B7 H7F 107.4(13) . . ?
H7D B7 H7G 111.3(14) . . ?
H7E B7 H7F 107.5(14) . . ?
H7E B7 H7G 111.3(14) . . ?
H7F B7 H7G 110.5(14) . . ?
Y1 B8 H8D 54.2(15) 1_455 . ?
Y1 B8 H8E 57.9(15) 1_455 . ?
Y1 B8 H8F 110.8(16) 1_455 . ?
Y1 B8 H8G 140.0(16) 1_455 . ?
Y4 B8 Y1 146.17(16) . 1_455 ?
Y4 B8 H8D 157.1(15) . . ?
Y4 B8 H8E 92.8(15) . . ?
Y4 B8 H8F 59.1(15) . . ?
Y4 B8 H8G 61.2(16) . . ?
H8D B8 H8E 110.0(13) . . ?
H8D B8 H8F 109.3(13) . . ?
H8D B8 H8G 110.9(14) . . ?
H8E B8 H8F 108.1(13) . . ?
H8E B8 H8G 109.3(13) . . ?
H8F B8 H8G 109.2(13) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Y1 C1 C2 C3 -67.7(2) . . . . ?
Y1 C1 C2 C7 115.3(3) . . . . ?
Y1 C1 C5 C4 67.6(2) . . . . ?
Y1 C1 C5 C10 -117.1(3) . . . . ?
Y1 C2 C3 C4 -66.9(2) . . . . ?
Y1 C2 C3 C8 118.6(3) . . . . ?
Y1 C3 C4 C5 -66.1(2) . . . . ?
Y1 C3 C4 C9 117.9(3) . . . . ?
Y1 C4 C5 C1 -67.0(2) . . . . ?
Y1 C4 C5 C10 117.8(3) . . . . ?
Y2 C11 C12 C13 -66.04(19) . . . . ?
Y2 C11 C12 C17 119.5(3) . . . . ?
Y2 C11 C15 C14 66.63(19) . . . . ?
Y2 C11 C15 C20 -117.5(3) . . . . ?
Y2 C12 C13 C14 -67.00(19) . . . . ?
Y2 C12 C13 C18 116.1(3) . . . . ?
Y2 C13 C14 C15 -67.38(19) . . . . ?
Y2 C13 C14 C19 118.3(3) . . . . ?
Y2 C14 C15 C11 -67.21(19) . . . . ?
Y2 C14 C15 C20 116.9(3) . . . . ?
Y3 C21 C22 C23 -67.66(19) . . . . ?
Y3 C21 C22 C27 119.4(3) . . . . ?
Y3 C21 C25 C24 68.2(2) . . . . ?
Y3 C21 C25 C30 -117.1(3) . . . . ?
Y3 C22 C23 C24 -66.36(19) . . . . ?
Y3 C22 C23 C28 117.3(3) . . . . ?
Y3 C23 C24 C25 -65.6(2) . . . . ?
Y3 C23 C24 C29 121.2(3) . . . . ?
Y3 C24 C25 C21 -66.7(2) . . . . ?
Y3 C24 C25 C30 118.5(3) . . . . ?
Y4 C31 C32 C33 -65.64(19) . . . . ?
Y4 C31 C32 C37 120.4(3) . . . . ?
Y4 C31 C35 C34 65.6(2) . . . . ?
Y4 C31 C35 C40 -120.0(3) . . . . ?
Y4 C32 C33 C34 -67.59(19) . . . . ?
Y4 C32 C33 C38 116.3(3) . . . . ?
Y4 C33 C34 C35 -68.3(2) . . . . ?
Y4 C33 C34 C39 116.9(3) . . . . ?
Y4 C34 C35 C31 -66.8(2) . . . . ?
Y4 C34 C35 C40 118.9(3) . . . . ?
C1 C2 C3 Y1 67.3(2) . . . . ?
C1 C2 C3 C4 0.4(3) . . . . ?
C1 C2 C3 C8 -174.2(3) . . . . ?
C2 C1 C5 Y1 -66.7(2) . . . . ?
C2 C1 C5 C4 0.8(3) . . . . ?
C2 C1 C5 C10 176.1(3) . . . . ?
C2 C3 C4 Y1 66.2(2) . . . . ?
C2 C3 C4 C5 0.1(3) . . . . ?
C2 C3 C4 C9 -175.9(3) . . . . ?
C3 C4 C5 Y1 66.4(2) . . . . ?
C3 C4 C5 C1 -0.6(3) . . . . ?
C3 C4 C5 C10 -175.8(3) . . . . ?
C5 C1 C2 Y1 67.0(2) . . . . ?
C5 C1 C2 C3 -0.7(3) . . . . ?
C5 C1 C2 C7 -177.6(3) . . . . ?
C6 C1 C2 Y1 -117.7(3) . . . . ?
C6 C1 C2 C3 174.5(3) . . . . ?
C6 C1 C2 C7 -2.4(5) . . . . ?
C6 C1 C5 Y1 118.0(3) . . . . ?
C6 C1 C5 C4 -174.5(3) . . . . ?
C6 C1 C5 C10 0.9(5) . . . . ?
C7 C2 C3 Y1 -115.8(3) . . . . ?
C7 C2 C3 C4 177.3(3) . . . . ?
C7 C2 C3 C8 2.7(5) . . . . ?
C8 C3 C4 Y1 -119.3(3) . . . . ?
C8 C3 C4 C5 174.7(3) . . . . ?
C8 C3 C4 C9 -1.4(5) . . . . ?
C9 C4 C5 Y1 -117.7(3) . . . . ?
C9 C4 C5 C1 175.4(3) . . . . ?
C9 C4 C5 C10 0.1(5) . . . . ?
C11 C12 C13 Y2 66.71(19) . . . . ?
C11 C12 C13 C14 -0.3(3) . . . . ?
C11 C12 C13 C18 -177.2(3) . . . . ?
C12 C11 C15 Y2 -66.67(19) . . . . ?
C12 C11 C15 C14 0.0(3) . . . . ?
C12 C11 C15 C20 175.8(3) . . . . ?
C12 C13 C14 Y2 67.65(19) . . . . ?
C12 C13 C14 C15 0.3(3) . . . . ?
C12 C13 C14 C19 -174.0(3) . . . . ?
C13 C14 C15 Y2 67.07(19) . . . . ?
C13 C14 C15 C11 -0.1(3) . . . . ?
C13 C14 C15 C20 -176.1(3) . . . . ?
C15 C11 C12 Y2 66.3(2) . . . . ?
C15 C11 C12 C13 0.2(3) . . . . ?
C15 C11 C12 C17 -174.3(3) . . . . ?
C16 C11 C12 Y2 -117.8(3) . . . . ?
C16 C11 C12 C13 176.2(3) . . . . ?
C16 C11 C12 C17 1.7(5) . . . . ?
C16 C11 C15 Y2 117.4(3) . . . . ?
C16 C11 C15 C14 -176.0(3) . . . . ?
C16 C11 C15 C20 -0.1(5) . . . . ?
C17 C12 C13 Y2 -118.9(3) . . . . ?
C17 C12 C13 C14 174.1(3) . . . . ?
C17 C12 C13 C18 -2.8(5) . . . . ?
C18 C13 C14 Y2 -115.4(3) . . . . ?
C18 C13 C14 C15 177.2(3) . . . . ?
C18 C13 C14 C19 2.9(5) . . . . ?
C19 C14 C15 Y2 -118.7(3) . . . . ?
C19 C14 C15 C11 174.1(3) . . . . ?
C19 C14 C15 C20 -1.8(5) . . . . ?
C21 C22 C23 Y3 66.06(19) . . . . ?
C21 C22 C23 C24 -0.3(3) . . . . ?
C21 C22 C23 C28 -176.7(3) . . . . ?
C22 C21 C25 Y3 -68.31(19) . . . . ?
C22 C21 C25 C24 -0.1(3) . . . . ?
C22 C21 C25 C30 174.6(3) . . . . ?
C22 C23 C24 Y3 65.81(19) . . . . ?
C22 C23 C24 C25 0.2(3) . . . . ?
C22 C23 C24 C29 -173.0(3) . . . . ?
C23 C24 C25 Y3 66.65(19) . . . . ?
C23 C24 C25 C21 -0.1(3) . . . . ?
C23 C24 C25 C30 -174.8(3) . . . . ?
C25 C21 C22 Y3 67.90(19) . . . . ?
C25 C21 C22 C23 0.2(3) . . . . ?
C25 C21 C22 C27 -172.7(3) . . . . ?
C26 C21 C22 Y3 -115.7(3) . . . . ?
C26 C21 C22 C23 176.6(3) . . . . ?
C26 C21 C22 C27 3.6(5) . . . . ?
C26 C21 C25 Y3 115.3(3) . . . . ?
C26 C21 C25 C24 -176.5(3) . . . . ?
C26 C21 C25 C30 -1.8(5) . . . . ?
C27 C22 C23 Y3 -120.8(3) . . . . ?
C27 C22 C23 C24 172.8(3) . . . . ?
C27 C22 C23 C28 -3.5(4) . . . . ?
C28 C23 C24 Y3 -117.9(3) . . . . ?
C28 C23 C24 C25 176.6(3) . . . . ?
C28 C23 C24 C29 3.3(5) . . . . ?
C29 C24 C25 Y3 -120.1(3) . . . . ?
C29 C24 C25 C21 173.1(3) . . . . ?
C29 C24 C25 C30 -1.6(5) . . . . ?
C31 C32 C33 Y4 66.99(19) . . . . ?
C31 C32 C33 C34 -0.6(3) . . . . ?
C31 C32 C33 C38 -176.7(3) . . . . ?
C32 C31 C35 Y4 -66.44(19) . . . . ?
C32 C31 C35 C34 -0.8(3) . . . . ?
C32 C31 C35 C40 173.6(3) . . . . ?
C32 C33 C34 Y4 68.39(19) . . . . ?
C32 C33 C34 C35 0.1(3) . . . . ?
C32 C33 C34 C39 -174.7(3) . . . . ?
C33 C34 C35 Y4 67.2(2) . . . . ?
C33 C34 C35 C31 0.4(3) . . . . ?
C33 C34 C35 C40 -173.9(3) . . . . ?
C35 C31 C32 Y4 66.5(2) . . . . ?
C35 C31 C32 C33 0.9(3) . . . . ?
C35 C31 C32 C37 -173.1(3) . . . . ?
C36 C31 C32 Y4 -118.3(3) . . . . ?
C36 C31 C32 C33 176.0(3) . . . . ?
C36 C31 C32 C37 2.1(5) . . . . ?
C36 C31 C35 Y4 118.5(3) . . . . ?
C36 C31 C35 C34 -175.9(3) . . . . ?
C36 C31 C35 C40 -1.5(5) . . . . ?
C37 C32 C33 Y4 -119.1(3) . . . . ?
C37 C32 C33 C34 173.3(3) . . . . ?
C37 C32 C33 C38 -2.8(5) . . . . ?
C38 C33 C34 Y4 -115.5(3) . . . . ?
C38 C33 C34 C35 176.2(3) . . . . ?
C38 C33 C34 C39 1.4(5) . . . . ?
C39 C34 C35 Y4 -117.9(3) . . . . ?
C39 C34 C35 C31 175.3(3) . . . . ?
C39 C34 C35 C40 1.0(5) . . . . ?

_olex2_date_sample_submission    2020-11-27
_olex2_exptl_crystal_mounting_method 'Mounted in fomblin'
_olex2_submission_original_sample_id ldpm174
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.151
_oxdiff_exptl_absorpt_empirical_full_min 0.807
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ldpm361
_database_code_depnum_ccdc_archive 'CCDC 2365785'
loop_
_audit_author_name
_audit_author_address
'George F. S. Whitehead'
;University of Manchester
United Kingdom
;
_audit_update_record             
;
2024-06-26 deposited with the CCDC.	2024-11-28 downloaded from the CCDC.
;
_manchester_internal_diff_code   ldpm361
_manchester_internal_coll_client SCC
_manchester_internal_coll_date   04/03/24
_manchester_internal_process_date 04/03/24
_manchester_internal_process_user SCC
_manchester_internal_solution_date 04/03/24
_manchester_internal_solution_user SCC
_manchester_internal_refinement_date 04/03/24
_manchester_internal_refinement_user SCC
_manchester_internal_validation_date 06/06/24
_manchester_internal_validation_user SCC
_manchester_internal_archive_date ?
_manchester_internal_archive_user ?
_refine_special_details          
;
The RESI and SAME commands were applied to all OC(CF3)3 groups to restrain
chemically equivalent bond parameters to be approximately equal.
Five OC(CF3)3 groups are disordered over 2 orientations, the occupancies were 
allowed to freely refine and linked to FVAR 2 converging at a final ratio of
0.51:0.49.
A DFIX command was applied to restrain the distance between F3_4 and F6_6
to over 2.8 Angstrom to restrain OC(CF3)3 groups to appropriate orientations.
The Al-O distances of the disordered components were restrained to be 
approximately equal.
The AFIX 66 command was applied to the phenyl moieties of the fluorobenzene
molecules.
The fluorobenzene molecules are disordered over 2 orientations, the occupancies
were linked to FVAR 2. SAME commands were applied to part 2 of the disordered
molecules to fix bond parameters to be approximately equivalent to part 1 
components. The Y-F bond distances were restrained to be approximately equal.
Enhanced rigid bond restraints and similarity thermal restraints were applied to
all non-H atoms to aid refinement.
;
_audit_creation_date             2024-04-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        "[Y(Cp''')(Cp*)(FPh)2][{Al[OC(CF3)3]3}2(F)]"
_chemical_formula_moiety         'C36 H54 F2 Si3 Y, 2(Al C12 F27.5 O3)'
_chemical_formula_sum            'C60 H54 Al2 F57 O6 Si3 Y'
_chemical_formula_weight         2181.17
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C11 H10 N O'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.2130 0.2455 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -0.2670 2.0244 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   16.6426(5)
_cell_length_b                   16.7663(4)
_cell_length_c                   18.4889(3)
_cell_angle_alpha                105.461(2)
_cell_angle_beta                 104.692(2)
_cell_angle_gamma                113.530(3)
_cell_volume                     4163.3(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    16189
_cell_measurement_temperature    100.0(3)
_cell_measurement_theta_max      74.9860
_cell_measurement_theta_min      2.6770
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.232
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.916
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.69a (Rigaku Oxford Diffraction, 2020)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.740
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2164
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
4 -3 9 0.0309
9 -2 3 0.0426
-10 0 7 0.0418
-10 8 2 0.0308
-2 -9 9 0.0378
9 0 -8 0.0455
9 -9 0 0.0328
-5 1 -7 0.0225
1 -1 11 0.0300
8 -1 4 0.0383
-1 -8 -1 0.0265
6 -7 -7 0.0237
-3 8 5 0.0388
4 7 -1 0.0530
0 9 -9 0.0374
3 -1 -11 0.0146
-5 -1 -6 0.0247

_exptl_crystal_size_max          0.096
_exptl_crystal_size_mid          0.069
_exptl_crystal_size_min          0.053
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
3.7851 -3.0970 9.4457 -1.0000 0.0034 0.0010
9.0243 -2.4105 2.5307 -0.7676 0.0026 0.6410
-9.5543 0.0489 7.3817 -0.0010 0.0000 -1.0000
-10.1350 7.5159 1.5320 0.3551 0.6109 -0.7076
-1.6049 -8.6207 8.5145 -0.4113 -0.7064 -0.5761
9.3551 0.3779 -7.5820 0.0209 0.0350 0.9992
9.2761 -8.8314 0.2440 -0.4181 -0.7189 0.5553
-5.2375 0.8466 -7.0585 0.9480 -0.2049 -0.2435
0.6028 -0.8223 10.6391 -0.9485 0.2050 -0.2416
7.5507 -0.7600 3.9338 -0.8335 0.1802 0.5223
-1.1830 -7.9382 -1.1659 0.3879 -0.8796 -0.2754
6.3966 -7.0077 -6.7630 0.3409 -0.7721 0.5363
-3.2619 8.1357 4.6427 -0.3966 0.8989 -0.1864
3.6306 7.0646 -0.9487 -0.3457 0.7843 0.5151
0.2716 8.5621 -9.4804 0.5872 0.6474 0.4858
2.9237 -1.2527 -10.9556 0.7920 -0.3557 0.4962
-4.8120 -1.3372 -5.8653 0.8718 -0.3918 -0.2940

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0691
_diffrn_reflns_av_unetI/netI     0.0709
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            46838
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         68.251
_diffrn_reflns_theta_min         2.715
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.0(3)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -1.00  32.00   0.50    1.00    --   46.08  30.00 150.00   66
  2  ω    -43.00 134.00   0.50    1.00    --   46.08  30.00  60.00  354
  3  ω     76.00 103.00   0.50    1.00    --   46.08  50.00-180.00   54
  4  ω     57.00 133.00   0.50    1.00    --   46.08  30.00 150.00  152
  5  ω    -40.00 -13.00   0.50    1.00    --   46.08  30.00 150.00   54
  6  ω     99.00 135.00   0.50    1.00    --   46.08  60.00-150.00   72
  7  ω     33.00 134.00   0.50    1.00    --   46.08  60.00  60.00  202
  8  ω    -42.00  18.00   0.50    1.00    --   46.08  60.00  60.00  120
  9  ω    -42.00  29.00   0.50    1.00    --   46.08  50.00-180.00  142
 10  ω    143.00 196.00   0.50    2.00    --  108.20  59.00   2.66  106
 11  ω     28.00  73.00   0.50    2.00    --  108.20  59.00 -37.08   90
 12  ω     51.00 108.00   0.50    2.00    --  108.20  59.00   2.66  114
 13  ω     79.00 198.00   0.50    2.00    --  108.20  59.00 -37.08  238
 14  ω     56.00 142.00   0.50    2.00    --  108.20  59.00 121.68  172
 15  ω     19.00 189.00   0.50    2.00    --  108.20  60.00-131.37  340
 16  ω     20.00 173.00   0.50    2.00    --  108.20  60.00 165.10  306
 17  ω     35.00 143.00   0.50    2.00    --  108.20   0.00 120.00  216
 18  ω    147.00 172.00   0.50    2.00    --  108.20  60.00-113.38   50
 19  ω     80.00 131.00   0.50    2.00    --  108.20  50.00-180.00  102
 20  ω     24.00 196.00   0.50    2.00    --  108.20  59.00 -90.32  344
 21  ω     26.00 123.00   0.50    2.00    --  108.20  60.00-113.38  194
 22  ω    142.00 198.00   0.50    2.00    --  108.20  60.00  65.75  112
 23  ω    104.00 137.00   0.50    2.00    --  108.20  60.00  65.75   66
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC11 (RINC): quarter-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0675025000
_diffrn_orient_matrix_UB_12      -0.0259776000
_diffrn_orient_matrix_UB_13      -0.0873349000
_diffrn_orient_matrix_UB_21      0.0207128000
_diffrn_orient_matrix_UB_22      0.1038820000
_diffrn_orient_matrix_UB_23      0.0261203000
_diffrn_orient_matrix_UB_31      0.0850697000
_diffrn_orient_matrix_UB_32      0.0257665000
_diffrn_orient_matrix_UB_33      -0.0255336000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type              'Rigaku (Cu) X-ray DW Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11860
_reflns_number_total             15169
_reflns_odcompleteness_completeness 99.53
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     68.13
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.513
_refine_diff_density_min         -1.467
_refine_diff_density_rms         0.110
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1889
_refine_ls_number_reflns         15169
_refine_ls_number_restraints     7027
_refine_ls_R_factor_all          0.1057
_refine_ls_R_factor_gt           0.0906
_refine_ls_restrained_S_all      1.021
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1816P)²+5.0446P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2566
_refine_ls_wR_factor_ref         0.2741
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 F3_4-F6_6
 -2.8 with sigma of 0.02
 Y1-F2A \\sim Y1-F2
 with sigma of 0.02
 Y1-F1A \\sim Y1-F1
 with sigma of 0.02
 Al2-O1_7 \\sim Al2-O1_6 \\sim Al2-O1_4 \\sim Al2-O1_8 \\sim Al2-O1_4 \\sim
Al2-O1_8 \\sim Al1-O1_1 ~
 Al1-O1_10 \\sim Al1-O1_3 \\sim Al1-O1_11
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
5. Same fragment restrains
{F1, C25, C26, C27, C28, C29, C30} sigma for 1-2: 0.02, 1-3: 0.04
as
{F1A, C25A, C26A, C27A, C28A, C29A, C30A}
{F2, C31, C32, C33, C34, C35, C36} sigma for 1-2: 0.02, 1-3: 0.04
as
{F2A, C31A, C32A, C33A, C34A, C35A, C36A}
{F3_6, F4_6, F5_6, F6_6, F7_6, F8_6, F9_6, F10_6, F11_6, O1_6, C37_6, C38_6,
C39_6, C40_6}
{F3_8, F4_8, F5_8, F6_8, F7_8, F8_8, F9_8, F10_8, F11_8, O1_8, C37_8, C38_8,
C39_8, C40_8}
{F3_4, F4_4, F5_4, F6_4, F7_4, F8_4, F9_4, F10_4, F11_4, O1_4, C37_4, C38_4,
C39_4, C40_4}
{F3_9, F4_9, F5_9, F6_9, F7_9, F8_9, F9_9, F10_9, F11_9, O1_9, C37_9, C38_9,
C39_9, C40_9}
{F3_5, F4_5, F5_5, F6_5, F7_5, F8_5, F9_5, F10_5, F11_5, O1_5, C37_5, C38_5,
C39_5, C40_5}
{F3_7, F4_7, F5_7, F6_7, F7_7, F8_7, F9_7, F10_7, F11_7, O1_7, C37_7, C38_7,
C39_7, C40_7}
{F3_10, F4_10, F5_10, F6_10, F7_10, F8_10, F9_10, F10_10, F11_10, O1_10,
C37_10, C38_10, C39_10, C40_10}
{F3_1, F4_1, F5_1, F6_1, F7_1, F8_1, F9_1, F10_1, F11_1, O1_1, C37_1, C38_1,
C39_1, C40_1}
{F3_11, F4_11, F5_11, F6_11, F7_11, F8_11, F9_11, F10_11, F11_11, O1_11,
C37_11, C38_11, C39_11, C40_11}
{F3_3, F4_3, F5_3, F6_3, F7_3, F8_3, F9_3, F10_3, F11_3, O1_3, C37_3, C38_3,
C39_3, C40_3}
as
{F3_2, F4_2, F5_2, F6_2, F7_2, F8_2, F9_2, F10_2, F11_2, O1_2, C37_2, C38_2,
C39_2, C40_2} sigma for 1-2: 0.02 1-3: 0.04
6. Others
 Sof(F1A)=Sof(C25A)=Sof(C26A)=Sof(H26A)=Sof(C27A)=Sof(H27A)=Sof(C28A)=
 Sof(H28A)=Sof(C29A)=Sof(H29A)=Sof(C30A)=Sof(H30A)=Sof(F2A)=Sof(C31A)=Sof(C32A)=
 Sof(H32A)=Sof(C33A)=Sof(H33A)=Sof(C34A)=Sof(H34A)=Sof(C35A)=Sof(H35A)=
 Sof(C36A)=Sof(H36A)=Sof(F3)=Sof(F4)=Sof(F5)=Sof(F6)=Sof(F7)=Sof(F8)=Sof(F9)=
 Sof(F10)=Sof(F11)=Sof(O1)=Sof(C37)=Sof(C38)=Sof(C39)=Sof(C40)=Sof(F3)=Sof(F4)=
 Sof(F5)=Sof(F6)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(O1)=Sof(C37)=
 Sof(C38)=Sof(C39)=Sof(C40)=Sof(F3)=Sof(F4)=Sof(F5)=Sof(F6)=Sof(F7)=Sof(F8)=
 Sof(F9)=Sof(F10)=Sof(F11)=Sof(O1)=Sof(C37)=Sof(C38)=Sof(C39)=Sof(C40)=Sof(F3)=
 Sof(F4)=Sof(F5)=Sof(F6)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(O1)=
 Sof(C37)=Sof(C38)=Sof(C39)=Sof(C40)=Sof(F3)=Sof(F4)=Sof(F5)=Sof(F6)=Sof(F7)=
 Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(O1)=Sof(C37)=Sof(C38)=Sof(C39)=Sof(C40)=
 1-FVAR(1)
 Sof(F1)=Sof(C25)=Sof(C26)=Sof(H26)=Sof(C27)=Sof(H27)=Sof(C28)=Sof(H28)=
 Sof(C29)=Sof(H29)=Sof(C30)=Sof(H30)=Sof(F2)=Sof(C31)=Sof(C32)=Sof(H32)=
 Sof(C33)=Sof(H33)=Sof(C34)=Sof(H34)=Sof(C35)=Sof(H35)=Sof(C36)=Sof(H36)=
 Sof(F3)=Sof(F4)=Sof(F5)=Sof(F6)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=
 Sof(O1)=Sof(C37)=Sof(C38)=Sof(C39)=Sof(C40)=Sof(F3)=Sof(F4)=Sof(F5)=Sof(F6)=
 Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(O1)=Sof(C37)=Sof(C38)=Sof(C39)=
 Sof(C40)=Sof(F3)=Sof(F4)=Sof(F5)=Sof(F6)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=
 Sof(F11)=Sof(O1)=Sof(C37)=Sof(C38)=Sof(C39)=Sof(C40)=Sof(F3)=Sof(F4)=Sof(F5)=
 Sof(F6)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(O1)=Sof(C37)=Sof(C38)=
 Sof(C39)=Sof(C40)=Sof(F3)=Sof(F4)=Sof(F5)=Sof(F6)=Sof(F7)=Sof(F8)=Sof(F9)=
 Sof(F10)=Sof(F11)=Sof(O1)=Sof(C37)=Sof(C38)=Sof(C39)=Sof(C40)=FVAR(1)
7.a :
 C15(C16,C17,C18,C19,C20,C21,C22,C23,C24)
7.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C26(H26), C27(H27), C28(H28), C29(H29), C30(H30), C32(H32),
 C33(H33), C34(H34), C35(H35), C36(H36), C26A(H26A), C27A(H27A), C28A(H28A),
 C29A(H29A), C30A(H30A), C32A(H32A), C33A(H33A), C34A(H34A), C35A(H35A),
 C36A(H36A)
7.c Fitted hexagon refined as free rotating group:
 C25(C26,C27,C28,C29,C30), C31(C32,C33,C34,C35,C36)
7.d Idealised Me refined as rotating group:
 C6(H6a,H6b,H6c), C7(H7a,H7b,H7c), C8(H8a,H8b,H8c), C9(H9a,H9b,H9c), C10(H10a,
 H10b,H10c), C11(H11a,H11b,H11c), C12(H12a,H12b,H12c), C13(H13a,H13b,H13c),
 C14(H14a,H14b,H14c), C20(H20a,H20b,H20c), C21(H21a,H21b,H21c), C22(H22a,H22b,
 H22c), C23(H23a,H23b,H23c), C24(H24a,H24b,H24c)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   diffmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Y1 Y 0.70588(3) 0.99042(3) 0.69635(3) 0.04609(18) Uani 1 1 d D U . . .
Si1 Si 0.92424(11) 0.97333(11) 0.84332(9) 0.0520(4) Uani 1 1 d . U . . .
Si2 Si 0.93382(12) 1.01799(13) 0.64446(11) 0.0574(4) Uani 1 1 d . U . . .
Si3 Si 0.56996(12) 0.69572(11) 0.57523(10) 0.0588(4) Uani 1 1 d . U . . .
C1 C 0.8281(4) 0.9331(4) 0.7409(3) 0.0474(10) Uani 1 1 d . U . . .
C2 C 0.8310(4) 0.9453(4) 0.6661(3) 0.0472(10) Uani 1 1 d . U . . .
C3 C 0.7393(4) 0.8736(4) 0.6018(3) 0.0459(10) Uani 1 1 d . U . . .
H3 H 0.721006 0.864170 0.545868 0.055 Uiso 1 1 calc R . . . .
C4 C 0.6791(4) 0.8184(4) 0.6325(3) 0.0477(10) Uani 1 1 d . U . . .
C5 C 0.7361(4) 0.8557(4) 0.7170(3) 0.0465(10) Uani 1 1 d . U . . .
H5 H 0.715021 0.831491 0.753731 0.056 Uiso 1 1 calc R . . . .
C6 C 0.9651(5) 0.8833(5) 0.8318(4) 0.0699(17) Uani 1 1 d . U . . .
H6A H 0.911895 0.821107 0.819860 0.105 Uiso 1 1 calc GR . . . .
H6B H 1.018685 0.903935 0.882884 0.105 Uiso 1 1 calc GR . . . .
H6C H 0.985941 0.877712 0.786557 0.105 Uiso 1 1 calc GR . . . .
C7 C 0.8658(5) 0.9655(5) 0.9170(3) 0.0636(15) Uani 1 1 d . U . . .
H7A H 0.830928 1.000669 0.914935 0.095 Uiso 1 1 calc GR . . . .
H7B H 0.914946 0.993356 0.972737 0.095 Uiso 1 1 calc GR . . . .
H7C H 0.820839 0.898304 0.901938 0.095 Uiso 1 1 calc GR . . . .
C8 C 1.0288(5) 1.0963(5) 0.8859(4) 0.0689(16) Uani 1 1 d . U . . .
H8A H 1.062446 1.099834 0.849294 0.103 Uiso 1 1 calc GR . . . .
H8B H 1.072799 1.111211 0.940441 0.103 Uiso 1 1 calc GR . . . .
H8C H 1.006287 1.142438 0.890257 0.103 Uiso 1 1 calc GR . . . .
C9 C 1.0279(5) 0.9842(6) 0.6709(5) 0.0748(18) Uani 1 1 d . U . . .
H9A H 1.053479 1.000788 0.730003 0.112 Uiso 1 1 calc GR . . . .
H9B H 1.079827 1.018840 0.656244 0.112 Uiso 1 1 calc GR . . . .
H9C H 0.999683 0.915249 0.640336 0.112 Uiso 1 1 calc GR . . . .
C10 C 0.9863(5) 1.1490(5) 0.7029(5) 0.0718(17) Uani 1 1 d . U . . .
H10A H 0.939287 1.167872 0.683137 0.108 Uiso 1 1 calc GR . . . .
H10B H 1.044090 1.184106 0.694852 0.108 Uiso 1 1 calc GR . . . .
H10C H 1.003215 1.163987 0.761545 0.108 Uiso 1 1 calc GR . . . .
C11 C 0.8896(5) 0.9886(6) 0.5329(4) 0.0740(18) Uani 1 1 d . U . . .
H11A H 0.868717 0.921414 0.502007 0.111 Uiso 1 1 calc GR . . . .
H11B H 0.941295 1.029478 0.521137 0.111 Uiso 1 1 calc GR . . . .
H11C H 0.835376 0.999475 0.516554 0.111 Uiso 1 1 calc GR . . . .
C12 C 0.6138(8) 0.6138(5) 0.5946(6) 0.110(3) Uani 1 1 d . U . . .
H12A H 0.632444 0.590801 0.550711 0.166 Uiso 1 1 calc GR . . . .
H12B H 0.562591 0.559283 0.595789 0.166 Uiso 1 1 calc GR . . . .
H12C H 0.669425 0.648293 0.647555 0.166 Uiso 1 1 calc GR . . . .
C13 C 0.5170(6) 0.6661(5) 0.4625(4) 0.083(2) Uani 1 1 d . U . . .
H13A H 0.498180 0.712710 0.454840 0.125 Uiso 1 1 calc GR . . . .
H13B H 0.460399 0.601840 0.433982 0.125 Uiso 1 1 calc GR . . . .
H13C H 0.564702 0.668277 0.439889 0.125 Uiso 1 1 calc GR . . . .
C14 C 0.4800(5) 0.6857(7) 0.6199(5) 0.095(2) Uani 1 1 d . U . . .
H14A H 0.511239 0.708075 0.679587 0.143 Uiso 1 1 calc GR . . . .
H14B H 0.428898 0.618814 0.596000 0.143 Uiso 1 1 calc GR . . . .
H14C H 0.452541 0.724974 0.607776 0.143 Uiso 1 1 calc GR . . . .
C15 C 0.6807(2) 1.0900(2) 0.61185(19) 0.0639(12) Uani 1 1 d . U . . .
C16 C 0.6535(2) 1.1165(2) 0.6770(2) 0.0692(13) Uani 1 1 d G U . . .
C17 C 0.5685(2) 1.0361(3) 0.6638(2) 0.0754(15) Uani 1 1 d G U . . .
C18 C 0.5432(2) 0.9599(2) 0.5905(2) 0.0725(14) Uani 1 1 d G U . . .
C19 C 0.6125(2) 0.9932(2) 0.55843(18) 0.0656(13) Uani 1 1 d G U . . .
C20 C 0.7669(3) 1.1536(3) 0.6013(3) 0.085(2) Uani 1 1 d G U . . .
H20A H 0.747163 1.178954 0.562391 0.127 Uiso 1 1 calc GR . . . .
H20B H 0.795255 1.116560 0.580149 0.127 Uiso 1 1 calc GR . . . .
H20C H 0.814273 1.206655 0.654468 0.127 Uiso 1 1 calc GR . . . .
C21 C 0.7057(4) 1.2132(3) 0.7478(3) 0.117(3) Uani 1 1 d G U . . .
H21A H 0.772013 1.248069 0.753767 0.175 Uiso 1 1 calc GR . . . .
H21B H 0.705753 1.205247 0.798468 0.175 Uiso 1 1 calc GR . . . .
H21C H 0.673442 1.249270 0.737423 0.175 Uiso 1 1 calc GR . . . .
C22 C 0.5146(4) 1.0323(4) 0.7181(3) 0.111(3) Uani 1 1 d G U . . .
H22A H 0.556440 1.085662 0.772333 0.167 Uiso 1 1 calc GR . . . .
H22B H 0.494267 0.971720 0.724038 0.167 Uiso 1 1 calc GR . . . .
H22C H 0.458063 1.036920 0.693432 0.167 Uiso 1 1 calc GR . . . .
C23 C 0.4577(3) 0.8608(3) 0.5533(3) 0.100(3) Uani 1 1 d G U . . .
H23A H 0.436756 0.847907 0.595933 0.150 Uiso 1 1 calc GR . . . .
H23B H 0.475236 0.813989 0.529467 0.150 Uiso 1 1 calc GR . . . .
H23C H 0.405272 0.856083 0.510141 0.150 Uiso 1 1 calc GR . . . .
C24 C 0.6135(4) 0.9358(3) 0.4810(3) 0.088(2) Uani 1 1 d G U . . .
H24A H 0.560108 0.922653 0.433246 0.132 Uiso 1 1 calc GR . . . .
H24B H 0.606809 0.875322 0.481888 0.132 Uiso 1 1 calc GR . . . .
H24C H 0.674318 0.972092 0.477539 0.132 Uiso 1 1 calc GR . . . .
F1 F 0.6246(10) 0.9508(8) 0.7812(7) 0.078(3) Uani 0.508(4) 1 d D U . A 1
C25 C 0.622(2) 0.9595(13) 0.8564(9) 0.078(5) Uani 0.508(4) 1 d D U . A 1
C26 C 0.6056(19) 0.8848(11) 0.8806(10) 0.087(6) Uani 0.508(4) 1 d DG U . A 1
H26 H 0.592916 0.825148 0.843812 0.104 Uiso 0.508(4) 1 calc R . . A 1
C27 C 0.6078(17) 0.8974(12) 0.9586(9) 0.091(6) Uani 0.508(4) 1 d DG U . A 1
H27 H 0.596518 0.846283 0.975142 0.110 Uiso 0.508(4) 1 calc R . . A 1
C28 C 0.6264(18) 0.9846(14) 1.0124(8) 0.106(6) Uani 0.508(4) 1 d DG U . A 1
H28 H 0.627880 0.993209 1.065713 0.128 Uiso 0.508(4) 1 calc R . . A 1
C29 C 0.643(2) 1.0594(12) 0.9882(11) 0.106(6) Uani 0.508(4) 1 d DG U . A 1
H29 H 0.655640 1.119001 1.024953 0.128 Uiso 0.508(4) 1 calc R . . A 1
C30 C 0.641(2) 1.0468(12) 0.9102(12) 0.096(6) Uani 0.508(4) 1 d DG U . A 1
H30 H 0.652038 1.097869 0.893622 0.115 Uiso 0.508(4) 1 calc R . . A 1
F2 F 0.8126(10) 1.1247(9) 0.8209(7) 0.088(4) Uani 0.508(4) 1 d D U . A 1
C31 C 0.8843(19) 1.2117(10) 0.8839(9) 0.093(7) Uani 0.508(4) 1 d D U . A 1
C32 C 0.8989(17) 1.2270(11) 0.9650(10) 0.085(5) Uani 0.508(4) 1 d DG U . A 1
H32 H 0.867663 1.174797 0.977844 0.102 Uiso 0.508(4) 1 calc R . . A 1
C33 C 0.9593(18) 1.3186(12) 1.0272(8) 0.082(5) Uani 0.508(4) 1 d DG U . A 1
H33 H 0.969234 1.329023 1.082651 0.099 Uiso 0.508(4) 1 calc R . . A 1
C34 C 1.0050(18) 1.3949(9) 1.0084(9) 0.087(5) Uani 0.508(4) 1 d DG U . A 1
H34 H 1.046235 1.457527 1.050984 0.105 Uiso 0.508(4) 1 calc R . . A 1
C35 C 0.9904(17) 1.3796(11) 0.9274(10) 0.096(6) Uani 0.508(4) 1 d DG U . A 1
H35 H 1.021664 1.431805 0.914511 0.115 Uiso 0.508(4) 1 calc R . . A 1
C36 C 0.930(2) 1.2880(13) 0.8651(8) 0.086(5) Uani 0.508(4) 1 d DG U . A 1
H36 H 0.920094 1.277579 0.809703 0.104 Uiso 0.508(4) 1 calc R . . A 1
Al1 Al 0.00544(11) 0.40892(11) 0.43050(9) 0.0470(4) Uani 1 1 d D U . . .
F3 F 0.000000 0.500000 0.500000 0.0601(11) Uani 1 2 d S TU P A .
Al2 Al 0.45766(11) 0.55919(11) 0.06097(8) 0.0419(3) Uani 1 1 d D U . . .
F4 F 0.500000 0.500000 0.000000 0.0463(9) Uani 1 2 d S TU P A .
F1A F 0.6589(10) 0.9912(9) 0.8065(6) 0.077(3) Uani 0.492(4) 1 d D U . A 2
C25A C 0.6351(19) 0.9793(14) 0.8714(10) 0.065(4) Uani 0.492(4) 1 d D U . A 2
C26A C 0.602(2) 0.8889(14) 0.8679(14) 0.080(4) Uani 0.492(4) 1 d D U . A 2
H26A H 0.595459 0.837728 0.824291 0.096 Uiso 0.492(4) 1 calc R . . A 2
C27A C 0.581(2) 0.8784(15) 0.9333(14) 0.097(6) Uani 0.492(4) 1 d D U . A 2
H27A H 0.558059 0.817678 0.935418 0.116 Uiso 0.492(4) 1 calc R . . A 2
C28A C 0.591(2) 0.9530(15) 0.9949(13) 0.101(6) Uani 0.492(4) 1 d D U . A 2
H28A H 0.572149 0.942080 1.037508 0.122 Uiso 0.492(4) 1 calc R . . A 2
C29A C 0.627(2) 1.0434(15) 0.9969(13) 0.094(5) Uani 0.492(4) 1 d D U . A 2
H29A H 0.639037 1.095889 1.042678 0.113 Uiso 0.492(4) 1 calc R . . A 2
C30A C 0.644(2) 1.0555(14) 0.9301(12) 0.078(4) Uani 0.492(4) 1 d D U . A 2
H30A H 0.661514 1.114614 0.925379 0.094 Uiso 0.492(4) 1 calc R . . A 2
F2A F 0.8392(9) 1.1349(10) 0.8071(8) 0.075(3) Uani 0.492(4) 1 d D U . A 2
C31A C 0.8863(16) 1.2199(12) 0.8805(10) 0.073(4) Uani 0.492(4) 1 d D U . A 2
C32A C 0.8780(19) 1.2069(15) 0.9498(10) 0.082(5) Uani 0.492(4) 1 d D U . A 2
H32A H 0.834937 1.147461 0.947754 0.099 Uiso 0.492(4) 1 calc R . . A 2
C33A C 0.938(2) 1.2883(16) 1.0222(12) 0.091(6) Uani 0.492(4) 1 d D U . A 2
H33A H 0.935580 1.286348 1.072540 0.110 Uiso 0.492(4) 1 calc R . . A 2
C34A C 1.001(2) 1.3720(16) 1.0225(13) 0.108(8) Uani 0.492(4) 1 d D U . A 2
H34A H 1.043219 1.425735 1.073663 0.129 Uiso 0.492(4) 1 calc R . . A 2
C35A C 1.006(2) 1.3808(15) 0.9517(14) 0.101(6) Uani 0.492(4) 1 d D U . A 2
H35A H 1.048903 1.440018 0.953684 0.121 Uiso 0.492(4) 1 calc R . . A 2
C36A C 0.946(2) 1.3014(15) 0.8772(13) 0.091(6) Uani 0.492(4) 1 d D U . A 2
H36A H 0.946110 1.304014 0.826585 0.110 Uiso 0.492(4) 1 calc R . . A 2
F3_2 F -0.2544(5) 0.3049(5) 0.2563(3) 0.1198(18) Uani 1 1 d D U . . .
F4_2 F -0.3165(3) 0.2436(4) 0.3282(4) 0.1049(15) Uani 1 1 d D U . . .
F5_2 F -0.3339(4) 0.1517(5) 0.2116(4) 0.168(3) Uani 1 1 d D U . . .
F6_2 F -0.2103(5) 0.2080(5) 0.4337(4) 0.126(2) Uani 1 1 d D U . . .
F7_2 F -0.1308(4) 0.1493(4) 0.3907(4) 0.1006(15) Uani 1 1 d D U . . .
F8_2 F -0.2821(4) 0.0852(4) 0.3207(6) 0.162(3) Uani 1 1 d D U . . .
F9_2 F -0.1481(5) 0.2380(6) 0.2054(3) 0.141(2) Uani 1 1 d D U . . .
F10_2 F -0.1912(5) 0.1040(4) 0.2188(4) 0.151(3) Uani 1 1 d D U . . .
F11_2 F -0.0516(3) 0.2236(4) 0.2978(3) 0.0970(14) Uani 1 1 d D U . . .
O1_2 O -0.1129(3) 0.3252(3) 0.3766(3) 0.0651(10) Uani 1 1 d D U . . .
C37_2 C -0.1796(4) 0.2345(4) 0.3224(4) 0.0675(13) Uani 1 1 d D U . . .
C38_2 C -0.2728(5) 0.2332(6) 0.2790(5) 0.100(2) Uani 1 1 d D U . . .
C39_2 C -0.2006(5) 0.1684(5) 0.3672(6) 0.0926(18) Uani 1 1 d D U . . .
C40_2 C -0.1435(6) 0.1967(6) 0.2598(5) 0.099(2) Uani 1 1 d D U . . .
F3_6 F 0.7669(11) 0.7815(12) 0.2148(11) 0.197(7) Uani 0.508(4) 1 d D U . A 1
F4_6 F 0.7022(13) 0.6756(10) 0.2579(8) 0.174(6) Uani 0.508(4) 1 d D U . A 1
F5_6 F 0.7463(14) 0.8269(12) 0.3253(8) 0.207(8) Uani 0.508(4) 1 d D U . A 1
F6_6 F 0.4472(11) 0.6741(14) 0.2040(8) 0.181(7) Uani 0.508(4) 1 d D U . A 1
F7_6 F 0.5531(18) 0.6683(12) 0.2930(9) 0.183(7) Uani 0.508(4) 1 d D U . A 1
F8_6 F 0.5587(12) 0.7995(9) 0.3040(9) 0.138(5) Uani 0.508(4) 1 d D U . A 1
F9_6 F 0.6210(12) 0.7964(12) 0.1005(11) 0.162(5) Uani 0.508(4) 1 d D U . A 1
F10_6 F 0.6694(18) 0.8971(9) 0.2283(14) 0.245(10) Uani 0.508(4) 1 d D U . A 1
F11_6 F 0.5219(12) 0.8058(10) 0.1538(9) 0.144(5) Uani 0.508(4) 1 d D U . A 1
O1_6 O 0.5605(10) 0.6479(9) 0.1386(9) 0.070(4) Uani 0.508(4) 1 d D U . A 1
C37_6 C 0.6062(9) 0.7336(9) 0.2026(8) 0.100(3) Uani 0.508(4) 1 d D U . A 1
C38_6 C 0.7084(11) 0.7552(11) 0.2523(9) 0.138(5) Uani 0.508(4) 1 d D U . A 1
C39_6 C 0.5440(13) 0.7197(11) 0.2522(10) 0.124(4) Uani 0.508(4) 1 d D U . A 1
C40_6 C 0.6081(13) 0.8101(10) 0.1711(11) 0.145(5) Uani 0.508(4) 1 d D U . A 1
F3_8 F 0.3555(8) 0.6617(10) 0.1140(5) 0.123(4) Uani 0.492(4) 1 d D U . A 2
F4_8 F 0.2240(9) 0.5361(11) 0.0405(8) 0.111(4) Uani 0.492(4) 1 d D U . A 2
F5_8 F 0.2413(10) 0.6704(12) 0.0378(7) 0.126(4) Uani 0.492(4) 1 d D U . A 2
F6_8 F 0.1548(7) 0.5314(11) -0.1183(7) 0.129(4) Uani 0.492(4) 1 d D U . A 2
F7_8 F 0.2055(10) 0.4370(9) -0.1083(7) 0.102(3) Uani 0.492(4) 1 d D U . A 2
F8_8 F 0.2581(10) 0.5254(10) -0.1696(5) 0.119(4) Uani 0.492(4) 1 d D U . A 2
F9_8 F 0.4286(12) 0.7708(9) 0.0323(11) 0.162(6) Uani 0.492(4) 1 d D U . A 2
F10_8 F 0.2985(12) 0.7169(12) -0.0737(11) 0.132(5) Uani 0.492(4) 1 d D U . A 2
F11_8 F 0.4100(11) 0.6908(11) -0.0878(12) 0.132(4) Uani 0.492(4) 1 d D U . A 2
O1_8 O 0.3838(11) 0.5732(13) -0.0097(9) 0.059(3) Uani 0.492(4) 1 d D U . A 2
C37_8 C 0.3187(8) 0.6024(8) -0.0268(7) 0.070(2) Uani 0.492(4) 1 d D U . A 2
C38_8 C 0.2844(9) 0.6188(11) 0.0427(7) 0.090(3) Uani 0.492(4) 1 d D U . A 2
C39_8 C 0.2343(8) 0.5232(10) -0.1071(7) 0.084(3) Uani 0.492(4) 1 d D U . A 2
C40_8 C 0.3619(11) 0.6957(10) -0.0394(10) 0.111(4) Uani 0.492(4) 1 d D U . A 2
F3_4 F 0.3131(9) 0.7121(7) 0.0577(7) 0.101(3) Uani 0.508(4) 1 d D U . A 1
F4_4 F 0.2657(10) 0.5770(9) 0.0672(8) 0.096(3) Uani 0.508(4) 1 d D U . A 1
F5_4 F 0.1770(7) 0.5943(9) -0.0269(8) 0.111(3) Uani 0.508(4) 1 d D U . A 1
F6_4 F 0.1753(9) 0.4811(11) -0.1670(8) 0.147(5) Uani 0.508(4) 1 d D U . A 1
F7_4 F 0.2040(10) 0.4305(9) -0.0718(9) 0.115(4) Uani 0.508(4) 1 d D U . A 1
F8_4 F 0.2909(9) 0.4532(10) -0.1410(7) 0.140(4) Uani 0.508(4) 1 d D U . A 1
F9_4 F 0.4105(9) 0.7423(9) -0.0304(8) 0.106(3) Uani 0.508(4) 1 d D U . A 1
F10_4 F 0.2613(10) 0.6711(12) -0.1126(10) 0.121(5) Uani 0.508(4) 1 d D U . A 1
F11_4 F 0.3575(11) 0.6261(12) -0.1453(8) 0.123(4) Uani 0.508(4) 1 d D U . A 1
O1_4 O 0.3964(11) 0.5966(13) 0.0035(11) 0.066(4) Uani 0.508(4) 1 d D U . A 1
C37_4 C 0.3134(8) 0.5893(8) -0.0405(7) 0.070(2) Uani 0.508(4) 1 d D U . A 1
C38_4 C 0.2670(9) 0.6195(9) 0.0153(8) 0.081(3) Uani 0.508(4) 1 d D U . A 1
C39_4 C 0.2458(10) 0.4865(10) -0.1050(8) 0.110(4) Uani 0.508(4) 1 d D U . A 1
C40_4 C 0.3331(10) 0.6577(11) -0.0844(9) 0.098(3) Uani 0.508(4) 1 d D U . A 1
F3_9 F 0.1928(6) 0.3349(7) 0.0325(6) 0.093(2) Uani 0.492(4) 1 d D U . A 2
F4_9 F 0.2703(15) 0.4635(10) 0.1617(9) 0.129(5) Uani 0.492(4) 1 d D U . A 2
F5_9 F 0.2291(11) 0.3075(8) 0.1362(9) 0.115(4) Uani 0.492(4) 1 d D U . A 2
F6_9 F 0.4139(14) 0.4699(11) 0.2461(8) 0.146(5) Uani 0.492(4) 1 d D U . A 2
F7_9 F 0.4088(13) 0.3371(13) 0.1913(14) 0.120(5) Uani 0.492(4) 1 d D U . A 2
F8_9 F 0.5142(10) 0.4630(12) 0.1910(11) 0.133(5) Uani 0.492(4) 1 d D U . A 2
F9_9 F 0.2942(11) 0.3068(11) -0.0418(8) 0.117(4) Uani 0.492(4) 1 d D U . A 2
F10_9 F 0.2880(15) 0.2316(11) 0.0337(14) 0.117(5) Uani 0.492(4) 1 d D U . A 2
F11_9 F 0.4343(12) 0.3303(16) 0.0522(15) 0.158(6) Uani 0.492(4) 1 d D U . A 2
O1_9 O 0.3758(7) 0.4704(7) 0.0786(6) 0.052(2) Uani 0.492(4) 1 d D U . A 2
C37_9 C 0.3512(9) 0.3986(10) 0.1025(8) 0.089(3) Uani 0.492(4) 1 d D U . A 2
C38_9 C 0.2535(10) 0.3744(9) 0.1082(9) 0.094(3) Uani 0.492(4) 1 d D U . A 2
C39_9 C 0.4255(12) 0.4166(12) 0.1813(9) 0.118(4) Uani 0.492(4) 1 d D U . A 2
C40_9 C 0.3397(11) 0.3110(10) 0.0333(10) 0.101(3) Uani 0.492(4) 1 d D U . A 2
F3_5 F 0.2405(13) 0.427(2) 0.1324(13) 0.197(8) Uani 0.508(4) 1 d D U . A 1
F4_5 F 0.3629(10) 0.4997(12) 0.2455(11) 0.193(8) Uani 0.508(4) 1 d D U . A 1
F5_5 F 0.2865(14) 0.3460(11) 0.1914(11) 0.148(6) Uani 0.508(4) 1 d D U . A 1
F6_5 F 0.5057(13) 0.4926(12) 0.2553(9) 0.175(6) Uani 0.508(4) 1 d D U . A 1
F7_5 F 0.4460(13) 0.3371(10) 0.1859(12) 0.113(5) Uani 0.508(4) 1 d D U . A 1
F8_5 F 0.5348(11) 0.4482(14) 0.1566(11) 0.142(5) Uani 0.508(4) 1 d D U . A 1
F9_5 F 0.2823(16) 0.3421(15) -0.0164(10) 0.190(7) Uani 0.508(4) 1 d D U . A 1
F10_5 F 0.2727(13) 0.2554(11) 0.0465(12) 0.130(6) Uani 0.508(4) 1 d D U . A 1
F11_5 F 0.4014(12) 0.3148(13) 0.0218(8) 0.113(4) Uani 0.508(4) 1 d D U . A 1
O1_5 O 0.4127(10) 0.4952(9) 0.1090(9) 0.079(3) Uani 0.508(4) 1 d D U . A 1
C37_5 C 0.3788(9) 0.4193(9) 0.1274(7) 0.089(3) Uani 0.508(4) 1 d D U . A 1
C38_5 C 0.3173(10) 0.4233(10) 0.1743(9) 0.101(3) Uani 0.508(4) 1 d D U . A 1
C39_5 C 0.4652(10) 0.4184(11) 0.1797(9) 0.094(3) Uani 0.508(4) 1 d D U . A 1
C40_5 C 0.3320(12) 0.3298(12) 0.0455(9) 0.120(4) Uani 0.508(4) 1 d D U . A 1
F3_7 F 0.7539(12) 0.7505(17) 0.1599(12) 0.184(7) Uani 0.492(4) 1 d D U . A 2
F4_7 F 0.6944(9) 0.6401(8) 0.2034(9) 0.112(3) Uani 0.492(4) 1 d D U . A 2
F5_7 F 0.7825(8) 0.7859(10) 0.2872(10) 0.137(5) Uani 0.492(4) 1 d D U . A 2
F6_7 F 0.5065(11) 0.7189(16) 0.2475(8) 0.166(6) Uani 0.492(4) 1 d D U . A 2
F7_7 F 0.6176(15) 0.6844(15) 0.2993(9) 0.171(6) Uani 0.492(4) 1 d D U . A 2
F8_7 F 0.6434(19) 0.8215(12) 0.3379(10) 0.246(10) Uani 0.492(4) 1 d D U . A 2
F9_7 F 0.6840(17) 0.8455(11) 0.1421(12) 0.179(7) Uani 0.492(4) 1 d D U . A 2
F10_7 F 0.7147(13) 0.9052(11) 0.2744(10) 0.199(8) Uani 0.492(4) 1 d D U . A 2
F11_7 F 0.5772(11) 0.8528(11) 0.1810(13) 0.149(6) Uani 0.492(4) 1 d D U . A 2
O1_7 O 0.5534(9) 0.6663(9) 0.1319(8) 0.066(4) Uani 0.492(4) 1 d D U . A 2
C37_7 C 0.6271(8) 0.7397(8) 0.1982(7) 0.070(2) Uani 0.492(4) 1 d D U . A 2
C38_7 C 0.7168(9) 0.7278(11) 0.2110(9) 0.095(3) Uani 0.492(4) 1 d D U . A 2
C39_7 C 0.6009(11) 0.7425(11) 0.2725(7) 0.112(4) Uani 0.492(4) 1 d D U . A 2
C40_7 C 0.6513(11) 0.8392(10) 0.2004(9) 0.106(4) Uani 0.492(4) 1 d D U . A 2
F3_10 F 0.2723(11) 0.4216(9) 0.5208(11) 0.113(4) Uani 0.492(4) 1 d D U . A 2
F4_10 F 0.1539(16) 0.2743(14) 0.4504(9) 0.088(4) Uani 0.492(4) 1 d D U . A 2
F5_10 F 0.2469(9) 0.3240(12) 0.5756(9) 0.108(4) Uani 0.492(4) 1 d D U . A 2
F6_10 F 0.0449(15) 0.2182(9) 0.5266(15) 0.103(5) Uani 0.492(4) 1 d D U . A 2
F7_10 F 0.1274(13) 0.3240(11) 0.6533(8) 0.117(4) Uani 0.492(4) 1 d D U . A 2
F8_10 F -0.0016(11) 0.3099(14) 0.5782(15) 0.113(5) Uani 0.492(4) 1 d D U . A 2
F9_10 F 0.2333(11) 0.5506(8) 0.6026(9) 0.087(4) Uani 0.492(4) 1 d D U . A 2
F10_10 F 0.2614(12) 0.4809(15) 0.6795(8) 0.106(5) Uani 0.492(4) 1 d D U . A 2
F11_10 F 0.1327(9) 0.4971(8) 0.6531(6) 0.082(3) Uani 0.492(4) 1 d D U . A 2
O1_10 O 0.0858(8) 0.3865(11) 0.4846(8) 0.058(3) Uani 0.492(4) 1 d D U . A 2
C37_10 C 0.1362(8) 0.3795(8) 0.5494(7) 0.055(2) Uani 0.492(4) 1 d D U . A 2
C38_10 C 0.2041(9) 0.3488(9) 0.5232(8) 0.076(2) Uani 0.492(4) 1 d D U . A 2
C39_10 C 0.0772(9) 0.3087(9) 0.5784(8) 0.079(3) Uani 0.492(4) 1 d D U . A 2
C40_10 C 0.1923(9) 0.4792(8) 0.6226(7) 0.076(3) Uani 0.492(4) 1 d D U . A 2
F3_1 F 0.1447(14) 0.2640(13) 0.4609(8) 0.075(4) Uani 0.508(4) 1 d D U . A 1
F4_1 F 0.0540(13) 0.2052(9) 0.5201(13) 0.090(4) Uani 0.508(4) 1 d D U . A 1
F5_1 F 0.2041(8) 0.2902(9) 0.5856(6) 0.092(3) Uani 0.508(4) 1 d D U . A 1
F6_1 F -0.0186(8) 0.3164(14) 0.5783(11) 0.109(5) Uani 0.508(4) 1 d D U . A 1
F7_1 F 0.1125(9) 0.3515(8) 0.6746(6) 0.079(3) Uani 0.508(4) 1 d D U . A 1
F8_1 F 0.0907(7) 0.4621(6) 0.6548(5) 0.0633(19) Uani 0.508(4) 1 d D U . A 1
F9_1 F 0.2710(9) 0.4492(8) 0.5476(8) 0.096(3) Uani 0.508(4) 1 d D U . A 1
F10_1 F 0.2762(11) 0.4945(13) 0.6655(8) 0.085(4) Uani 0.508(4) 1 d D U . A 1
F11_1 F 0.2007(9) 0.5318(7) 0.5772(8) 0.069(3) Uani 0.508(4) 1 d D U . A 1
O1_1 O 0.0549(8) 0.3617(9) 0.4865(7) 0.056(3) Uani 0.508(4) 1 d D U . A 1
C37_1 C 0.1207(8) 0.3705(7) 0.5535(6) 0.0521(19) Uani 0.508(4) 1 d D U . A 1
C38_1 C 0.1309(8) 0.2820(8) 0.5288(6) 0.064(2) Uani 0.508(4) 1 d D U . A 1
C39_1 C 0.0775(8) 0.3765(7) 0.6182(6) 0.061(2) Uani 0.508(4) 1 d D U . A 1
C40_1 C 0.2189(8) 0.4618(8) 0.5898(7) 0.070(2) Uani 0.508(4) 1 d D U . A 1
F3_11 F 0.0607(17) 0.5966(12) 0.3125(13) 0.084(5) Uani 0.492(4) 1 d D U . A 2
F4_11 F -0.0396(8) 0.4476(10) 0.2359(9) 0.110(5) Uani 0.492(4) 1 d D U . A 2
F5_11 F 0.0874(11) 0.5197(12) 0.2179(8) 0.102(4) Uani 0.492(4) 1 d D U . A 2
F6_11 F 0.0298(12) 0.3344(9) 0.2263(8) 0.122(5) Uani 0.492(4) 1 d D U . A 2
F7_11 F 0.1326(17) 0.3556(15) 0.3369(12) 0.083(5) Uani 0.492(4) 1 d D U . A 2
F8_11 F 0.1835(13) 0.4238(13) 0.2647(11) 0.144(5) Uani 0.492(4) 1 d D U . A 2
F9_11 F 0.2054(14) 0.6354(12) 0.4493(10) 0.110(5) Uani 0.492(4) 1 d D U . A 2
F10_11 F 0.2532(12) 0.6133(11) 0.3511(11) 0.128(5) Uani 0.492(4) 1 d D U . A 2
F11_11 F 0.2649(12) 0.5417(14) 0.4305(12) 0.141(6) Uani 0.492(4) 1 d D U . A 2
O1_11 O 0.0586(13) 0.4675(12) 0.3823(10) 0.061(3) Uani 0.492(4) 1 d D U . A 2
C37_11 C 0.1070(9) 0.4860(9) 0.3359(7) 0.061(2) Uani 0.492(4) 1 d D U . A 2
C38_11 C 0.0529(10) 0.5135(11) 0.2751(9) 0.072(3) Uani 0.492(4) 1 d D U . A 2
C39_11 C 0.1146(11) 0.3997(10) 0.2904(9) 0.079(3) Uani 0.492(4) 1 d D U . A 2
C40_11 C 0.2096(9) 0.5707(10) 0.3909(10) 0.087(4) Uani 0.492(4) 1 d D U . A 2
F3_3 F 0.0823(14) 0.6063(9) 0.3037(10) 0.065(3) Uani 0.508(4) 1 d D U . A 1
F4_3 F -0.0041(7) 0.4596(7) 0.2193(6) 0.068(2) Uani 0.508(4) 1 d D U . A 1
F5_3 F 0.1386(7) 0.5409(9) 0.2306(7) 0.074(2) Uani 0.508(4) 1 d D U . A 1
F6_3 F 0.0863(7) 0.3604(7) 0.2292(6) 0.072(2) Uani 0.508(4) 1 d D U . A 1
F7_3 F 0.1566(15) 0.3772(14) 0.3527(12) 0.074(4) Uani 0.508(4) 1 d D U . A 1
F8_3 F 0.2336(6) 0.4646(8) 0.3008(6) 0.073(2) Uani 0.508(4) 1 d D U . A 1
F9_3 F 0.1794(13) 0.6347(12) 0.4598(10) 0.092(4) Uani 0.508(4) 1 d D U . A 1
F10_3 F 0.2659(10) 0.6432(8) 0.3888(6) 0.084(3) Uani 0.508(4) 1 d D U . A 1
F11_3 F 0.2604(10) 0.5600(11) 0.4594(6) 0.082(3) Uani 0.508(4) 1 d D U . A 1
O1_3 O 0.0464(12) 0.4505(12) 0.3630(9) 0.057(3) Uani 0.508(4) 1 d D U . A 1
C37_3 C 0.1185(8) 0.4952(8) 0.3409(7) 0.054(2) Uani 0.508(4) 1 d D U . A 1
C38_3 C 0.0849(9) 0.5271(9) 0.2737(7) 0.059(2) Uani 0.508(4) 1 d D U . A 1
C39_3 C 0.1513(9) 0.4244(9) 0.3068(8) 0.062(2) Uani 0.508(4) 1 d D U . A 1
C40_3 C 0.2081(9) 0.5858(10) 0.4128(7) 0.068(3) Uani 0.508(4) 1 d D U . A 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Y1 C1 2.622(5) . ?
Y1 C2 2.616(5) . ?
Y1 C3 2.596(5) . ?
Y1 C4 2.608(6) . ?
Y1 C5 2.603(5) . ?
Y1 C15 2.650(3) . ?
Y1 C16 2.660(3) . ?
Y1 C19 2.652(3) . ?
Y1 F1 2.376(9) . ?
Y1 F2 2.344(9) . ?
Y1 F1A 2.359(8) . ?
Y1 F2A 2.397(9) . ?
Si1 C1 1.877(5) . ?
Si1 C6 1.873(6) . ?
Si1 C7 1.866(7) . ?
Si1 C8 1.864(7) . ?
Si2 C2 1.875(6) . ?
Si2 C9 1.864(7) . ?
Si2 C10 1.866(7) . ?
Si2 C11 1.854(7) . ?
Si3 C4 1.879(6) . ?
Si3 C12 1.865(8) . ?
Si3 C13 1.880(7) . ?
Si3 C14 1.858(9) . ?
C1 C2 1.460(7) . ?
C1 C5 1.410(8) . ?
C2 C3 1.428(7) . ?
C3 H3 0.9500 . ?
C3 C4 1.417(7) . ?
C4 C5 1.410(7) . ?
C5 H5 0.9500 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.4159(18) . ?
C15 C19 1.4155(18) . ?
C15 C20 1.5046(19) . ?
C16 C17 1.4157(18) . ?
C16 C21 1.5047(19) . ?
C17 C18 1.4157(18) . ?
C17 C22 1.5042(19) . ?
C18 C19 1.4154(18) . ?
C18 C23 1.5047(19) . ?
C19 C24 1.5053(19) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
F1 C25 1.372(10) . ?
C25 C26 1.3900 . ?
C25 C30 1.3900 . ?
C26 H26 0.9500 . ?
C26 C27 1.3900 . ?
C27 H27 0.9500 . ?
C27 C28 1.3900 . ?
C28 H28 0.9500 . ?
C28 C29 1.3900 . ?
C29 H29 0.9500 . ?
C29 C30 1.3900 . ?
C30 H30 0.9500 . ?
F2 C31 1.381(11) . ?
C31 C32 1.3900 . ?
C31 C36 1.3900 . ?
C32 H32 0.9500 . ?
C32 C33 1.3900 . ?
C33 H33 0.9500 . ?
C33 C34 1.3900 . ?
C34 H34 0.9500 . ?
C34 C35 1.3900 . ?
C35 H35 0.9500 . ?
C35 C36 1.3900 . ?
C36 H36 0.9500 . ?
Al1 F3 1.7648(15) . ?
Al1 O1_2 1.701(4) . ?
Al1 O1_10 1.690(9) . ?
Al1 O1_1 1.704(8) . ?
Al1 O1_11 1.648(9) . ?
Al1 O1_3 1.738(9) . ?
Al2 F4 1.7654(14) . ?
Al2 O1_6 1.668(9) . ?
Al2 O1_8 1.689(9) . ?
Al2 O1_4 1.696(9) . ?
Al2 O1_9 1.743(10) . ?
Al2 O1_5 1.645(10) . ?
Al2 O1_7 1.698(9) . ?
F1A C25A 1.393(12) . ?
C25A C26A 1.367(15) . ?
C25A C30A 1.364(15) . ?
C26A H26A 0.9500 . ?
C26A C27A 1.382(16) . ?
C27A H27A 0.9500 . ?
C27A C28A 1.367(16) . ?
C28A H28A 0.9500 . ?
C28A C29A 1.375(16) . ?
C29A H29A 0.9500 . ?
C29A C30A 1.386(15) . ?
C30A H30A 0.9500 . ?
F2A C31A 1.422(13) . ?
C31A C32A 1.388(16) . ?
C31A C36A 1.358(16) . ?
C32A H32A 0.9500 . ?
C32A C33A 1.383(15) . ?
C33A H33A 0.9500 . ?
C33A C34A 1.374(17) . ?
C34A H34A 0.9500 . ?
C34A C35A 1.373(17) . ?
C35A H35A 0.9500 . ?
C35A C36A 1.390(16) . ?
C36A H36A 0.9500 . ?
F3_2 C38_2 1.325(10) . ?
F4_2 C38_2 1.319(9) . ?
F5_2 C38_2 1.340(9) . ?
F6_2 C39_2 1.315(9) . ?
F7_2 C39_2 1.324(8) . ?
F8_2 C39_2 1.336(9) . ?
F9_2 C40_2 1.367(10) . ?
F10_2 C40_2 1.304(9) . ?
F11_2 C40_2 1.332(8) . ?
O1_2 C37_2 1.350(7) . ?
C37_2 C38_2 1.544(8) . ?
C37_2 C39_2 1.537(9) . ?
C37_2 C40_2 1.539(9) . ?
F3_6 C38_6 1.337(14) . ?
F4_6 C38_6 1.330(14) . ?
F5_6 C38_6 1.328(13) . ?
F6_6 C39_6 1.379(15) . ?
F7_6 C39_6 1.313(14) . ?
F8_6 C39_6 1.306(14) . ?
F9_6 C40_6 1.349(14) . ?
F10_6 C40_6 1.315(14) . ?
F11_6 C40_6 1.355(15) . ?
O1_6 C37_6 1.345(12) . ?
C37_6 C38_6 1.551(13) . ?
C37_6 C39_6 1.539(13) . ?
C37_6 C40_6 1.538(13) . ?
F3_8 C38_8 1.296(12) . ?
F4_8 C38_8 1.329(14) . ?
F5_8 C38_8 1.333(12) . ?
F6_8 C39_8 1.353(12) . ?
F7_8 C39_8 1.320(13) . ?
F8_8 C39_8 1.318(13) . ?
F9_8 C40_8 1.350(14) . ?
F10_8 C40_8 1.311(13) . ?
F11_8 C40_8 1.351(14) . ?
O1_8 C37_8 1.358(11) . ?
C37_8 C38_8 1.538(12) . ?
C37_8 C39_8 1.531(12) . ?
C37_8 C40_8 1.549(13) . ?
F3_4 C38_4 1.308(12) . ?
F4_4 C38_4 1.337(12) . ?
F5_4 C38_4 1.326(13) . ?
F6_4 C39_4 1.369(13) . ?
F7_4 C39_4 1.321(14) . ?
F8_4 C39_4 1.306(13) . ?
F9_4 C40_4 1.343(14) . ?
F10_4 C40_4 1.308(12) . ?
F11_4 C40_4 1.340(13) . ?
O1_4 C37_4 1.353(11) . ?
C37_4 C38_4 1.534(12) . ?
C37_4 C39_4 1.528(13) . ?
C37_4 C40_4 1.552(12) . ?
F3_9 C38_9 1.294(13) . ?
F4_9 C38_9 1.422(13) . ?
F5_9 C38_9 1.320(12) . ?
F6_9 C39_9 1.398(14) . ?
F7_9 C39_9 1.323(13) . ?
F8_9 C39_9 1.302(14) . ?
F9_9 C40_9 1.371(13) . ?
F10_9 C40_9 1.267(13) . ?
F11_9 C40_9 1.400(13) . ?
O1_9 C37_9 1.341(11) . ?
C37_9 C38_9 1.550(13) . ?
C37_9 C39_9 1.515(13) . ?
C37_9 C40_9 1.575(13) . ?
F3_5 C38_5 1.350(14) . ?
F4_5 C38_5 1.329(14) . ?
F5_5 C38_5 1.346(13) . ?
F6_5 C39_5 1.372(14) . ?
F7_5 C39_5 1.314(12) . ?
F8_5 C39_5 1.293(13) . ?
F9_5 C40_5 1.348(14) . ?
F10_5 C40_5 1.253(13) . ?
F11_5 C40_5 1.421(14) . ?
O1_5 C37_5 1.343(11) . ?
C37_5 C38_5 1.508(12) . ?
C37_5 C39_5 1.526(13) . ?
C37_5 C40_5 1.552(13) . ?
F3_7 C38_7 1.311(13) . ?
F4_7 C38_7 1.323(13) . ?
F5_7 C38_7 1.328(14) . ?
F6_7 C39_7 1.370(14) . ?
F7_7 C39_7 1.295(14) . ?
F8_7 C39_7 1.296(13) . ?
F9_7 C40_7 1.335(14) . ?
F10_7 C40_7 1.318(13) . ?
F11_7 C40_7 1.321(13) . ?
O1_7 C37_7 1.323(11) . ?
C37_7 C38_7 1.552(12) . ?
C37_7 C39_7 1.539(13) . ?
C37_7 C40_7 1.537(13) . ?
F3_10 C38_10 1.314(13) . ?
F4_10 C38_10 1.331(14) . ?
F5_10 C38_10 1.311(12) . ?
F6_10 C39_10 1.350(13) . ?
F7_10 C39_10 1.318(13) . ?
F8_10 C39_10 1.318(13) . ?
F9_10 C40_10 1.324(13) . ?
F10_10 C40_10 1.332(13) . ?
F11_10 C40_10 1.349(13) . ?
O1_10 C37_10 1.340(11) . ?
C37_10 C38_10 1.544(12) . ?
C37_10 C39_10 1.529(12) . ?
C37_10 C40_10 1.550(12) . ?
F3_1 C38_1 1.312(13) . ?
F4_1 C38_1 1.338(13) . ?
F5_1 C38_1 1.320(11) . ?
F6_1 C39_1 1.355(13) . ?
F7_1 C39_1 1.313(11) . ?
F8_1 C39_1 1.313(11) . ?
F9_1 C40_1 1.344(12) . ?
F10_1 C40_1 1.290(12) . ?
F11_1 C40_1 1.385(13) . ?
O1_1 C37_1 1.356(10) . ?
C37_1 C38_1 1.524(11) . ?
C37_1 C39_1 1.544(11) . ?
C37_1 C40_1 1.536(12) . ?
F3_11 C38_11 1.316(12) . ?
F4_11 C38_11 1.328(13) . ?
F5_11 C38_11 1.332(12) . ?
F6_11 C39_11 1.349(14) . ?
F7_11 C39_11 1.326(12) . ?
F8_11 C39_11 1.308(13) . ?
F9_11 C40_11 1.349(13) . ?
F10_11 C40_11 1.310(13) . ?
F11_11 C40_11 1.352(13) . ?
O1_11 C37_11 1.332(11) . ?
C37_11 C38_11 1.545(12) . ?
C37_11 C39_11 1.539(12) . ?
C37_11 C40_11 1.542(12) . ?
F3_3 C38_3 1.318(11) . ?
F4_3 C38_3 1.336(11) . ?
F5_3 C38_3 1.335(12) . ?
F6_3 C39_3 1.359(11) . ?
F7_3 C39_3 1.315(12) . ?
F8_3 C39_3 1.313(12) . ?
F9_3 C40_3 1.342(12) . ?
F10_3 C40_3 1.324(12) . ?
F11_3 C40_3 1.344(12) . ?
O1_3 C37_3 1.366(11) . ?
C37_3 C38_3 1.545(11) . ?
C37_3 C39_3 1.547(11) . ?
C37_3 C40_3 1.552(12) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Y1 C15 137.65(14) . . ?
C1 Y1 C16 155.42(14) . . ?
C1 Y1 C19 135.55(13) . . ?
C2 Y1 C1 32.36(16) . . ?
C2 Y1 C15 107.46(13) . . ?
C2 Y1 C16 135.10(14) . . ?
C2 Y1 C19 104.49(13) . . ?
C3 Y1 C1 52.46(16) . . ?
C3 Y1 C2 31.81(16) . . ?
C3 Y1 C4 31.61(16) . . ?
C3 Y1 C5 51.04(16) . . ?
C3 Y1 C15 102.39(13) . . ?
C3 Y1 C16 132.78(13) . . ?
C3 Y1 C19 84.69(13) . . ?
C4 Y1 C1 53.17(16) . . ?
C4 Y1 C2 53.37(17) . . ?
C4 Y1 C15 124.85(13) . . ?
C4 Y1 C16 147.12(13) . . ?
C4 Y1 C19 97.59(13) . . ?
C5 Y1 C1 31.31(17) . . ?
C5 Y1 C2 52.08(17) . . ?
C5 Y1 C4 31.39(16) . . ?
C5 Y1 C15 153.37(14) . . ?
C5 Y1 C16 172.51(14) . . ?
C5 Y1 C19 128.95(13) . . ?
C15 Y1 C16 30.9 . . ?
C15 Y1 C19 31.0 . . ?
C19 Y1 C16 51.08(7) . . ?
F1 Y1 C1 97.2(4) . . ?
F1 Y1 C2 128.2(4) . . ?
F1 Y1 C3 123.6(3) . . ?
F1 Y1 C4 92.2(3) . . ?
F1 Y1 C5 78.1(4) . . ?
F1 Y1 C15 124.3(4) . . ?
F1 Y1 C16 95.5(4) . . ?
F1 Y1 C19 118.9(4) . . ?
F2 Y1 C1 83.1(5) . . ?
F2 Y1 C2 97.4(4) . . ?
F2 Y1 C3 129.2(4) . . ?
F2 Y1 C4 134.5(5) . . ?
F2 Y1 C5 104.0(5) . . ?
F2 Y1 C15 94.9(5) . . ?
F2 Y1 C16 78.3(5) . . ?
F2 Y1 C19 125.4(5) . . ?
F2 Y1 F1 80.2(5) . . ?
F1A Y1 C1 95.6(4) . . ?
F1A Y1 C2 128.0(4) . . ?
F1A Y1 C3 133.3(3) . . ?
F1A Y1 C4 103.4(3) . . ?
F1A Y1 C5 83.6(4) . . ?
F1A Y1 C15 121.9(3) . . ?
F1A Y1 C16 91.1(3) . . ?
F1A Y1 C19 126.0(4) . . ?
F1A Y1 F2A 78.3(4) . . ?
F2A Y1 C1 78.7(5) . . ?
F2A Y1 C2 87.2(4) . . ?
F2A Y1 C3 118.8(4) . . ?
F2A Y1 C4 131.9(5) . . ?
F2A Y1 C5 104.4(5) . . ?
F2A Y1 C15 89.7(5) . . ?
F2A Y1 C16 79.6(5) . . ?
F2A Y1 C19 120.6(5) . . ?
C6 Si1 C1 106.6(3) . . ?
C7 Si1 C1 106.9(3) . . ?
C7 Si1 C6 107.5(3) . . ?
C8 Si1 C1 116.2(3) . . ?
C8 Si1 C6 110.4(3) . . ?
C8 Si1 C7 108.9(3) . . ?
C9 Si2 C2 109.1(3) . . ?
C9 Si2 C10 109.9(3) . . ?
C10 Si2 C2 112.1(3) . . ?
C11 Si2 C2 108.4(3) . . ?
C11 Si2 C9 108.2(3) . . ?
C11 Si2 C10 109.0(4) . . ?
C4 Si3 C13 111.0(3) . . ?
C12 Si3 C4 104.8(3) . . ?
C12 Si3 C13 111.7(4) . . ?
C14 Si3 C4 110.5(3) . . ?
C14 Si3 C12 107.4(5) . . ?
C14 Si3 C13 111.2(4) . . ?
Si1 C1 Y1 131.4(3) . . ?
C2 C1 Y1 73.6(3) . . ?
C2 C1 Si1 132.9(4) . . ?
C5 C1 Y1 73.6(3) . . ?
C5 C1 Si1 118.7(4) . . ?
C5 C1 C2 105.9(4) . . ?
Si2 C2 Y1 126.6(3) . . ?
C1 C2 Y1 74.0(3) . . ?
C1 C2 Si2 131.0(4) . . ?
C3 C2 Y1 73.3(3) . . ?
C3 C2 Si2 122.0(4) . . ?
C3 C2 C1 106.0(5) . . ?
Y1 C3 H3 117.6 . . ?
C2 C3 Y1 74.9(3) . . ?
C2 C3 H3 124.5 . . ?
C4 C3 Y1 74.7(3) . . ?
C4 C3 C2 111.1(4) . . ?
C4 C3 H3 124.5 . . ?
Si3 C4 Y1 134.1(3) . . ?
C3 C4 Y1 73.7(3) . . ?
C3 C4 Si3 128.8(4) . . ?
C5 C4 Y1 74.1(3) . . ?
C5 C4 Si3 122.5(4) . . ?
C5 C4 C3 104.8(5) . . ?
Y1 C5 H5 118.0 . . ?
C1 C5 Y1 75.1(3) . . ?
C1 C5 H5 123.9 . . ?
C4 C5 Y1 74.5(3) . . ?
C4 C5 C1 112.2(5) . . ?
C4 C5 H5 123.9 . . ?
Si1 C6 H6A 109.5 . . ?
Si1 C6 H6B 109.5 . . ?
Si1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si1 C7 H7A 109.5 . . ?
Si1 C7 H7B 109.5 . . ?
Si1 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si1 C8 H8A 109.5 . . ?
Si1 C8 H8B 109.5 . . ?
Si1 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si2 C9 H9A 109.5 . . ?
Si2 C9 H9B 109.5 . . ?
Si2 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si2 C10 H10A 109.5 . . ?
Si2 C10 H10B 109.5 . . ?
Si2 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si2 C11 H11A 109.5 . . ?
Si2 C11 H11B 109.5 . . ?
Si2 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si3 C12 H12A 109.5 . . ?
Si3 C12 H12B 109.5 . . ?
Si3 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si3 C13 H13A 109.5 . . ?
Si3 C13 H13B 109.5 . . ?
Si3 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si3 C14 H14A 109.5 . . ?
Si3 C14 H14B 109.5 . . ?
Si3 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 Y1 74.92(10) . . ?
C16 C15 C20 126.0 . . ?
C19 C15 Y1 74.57(11) . . ?
C19 C15 C16 108.0 . . ?
C19 C15 C20 126.0 . . ?
C20 C15 Y1 116.57(10) . . ?
C15 C16 Y1 74.15(10) . . ?
C15 C16 C21 126.0 . . ?
C17 C16 Y1 74.93(10) . . ?
C17 C16 C15 108.0 . . ?
C17 C16 C21 126.0 . . ?
C21 C16 Y1 116.97(10) . . ?
C16 C17 Y1 74.26(10) . . ?
C16 C17 C22 126.0 . . ?
C18 C17 Y1 74.39(11) . . ?
C18 C17 C16 108.0 . . ?
C18 C17 C22 126.0 . . ?
C22 C17 Y1 117.32(10) . . ?
C17 C18 Y1 74.82(11) . . ?
C17 C18 C23 126.0 . . ?
C19 C18 Y1 74.11(10) . . ?
C19 C18 C17 108.0 . . ?
C19 C18 C23 126.0 . . ?
C23 C18 Y1 117.12(10) . . ?
C15 C19 Y1 74.46(11) . . ?
C15 C19 C24 126.0 . . ?
C18 C19 Y1 75.00(10) . . ?
C18 C19 C15 108.0 . . ?
C18 C19 C24 126.0 . . ?
C24 C19 Y1 116.67(10) . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C18 C23 H23A 109.5 . . ?
C18 C23 H23B 109.5 . . ?
C18 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C19 C24 H24A 109.5 . . ?
C19 C24 H24B 109.5 . . ?
C19 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C25 F1 Y1 152.3(14) . . ?
F1 C25 C26 121.4(10) . . ?
F1 C25 C30 118.5(10) . . ?
C26 C25 C30 120.0 . . ?
C25 C26 H26 120.0 . . ?
C25 C26 C27 120.0 . . ?
C27 C26 H26 120.0 . . ?
C26 C27 H27 120.0 . . ?
C26 C27 C28 120.0 . . ?
C28 C27 H27 120.0 . . ?
C27 C28 H28 120.0 . . ?
C27 C28 C29 120.0 . . ?
C29 C28 H28 120.0 . . ?
C28 C29 H29 120.0 . . ?
C30 C29 C28 120.0 . . ?
C30 C29 H29 120.0 . . ?
C25 C30 H30 120.0 . . ?
C29 C30 C25 120.0 . . ?
C29 C30 H30 120.0 . . ?
C31 F2 Y1 167.7(12) . . ?
F2 C31 C32 120.0(11) . . ?
F2 C31 C36 119.1(11) . . ?
C32 C31 C36 120.0 . . ?
C31 C32 H32 120.0 . . ?
C33 C32 C31 120.0 . . ?
C33 C32 H32 120.0 . . ?
C32 C33 H33 120.0 . . ?
C34 C33 C32 120.0 . . ?
C34 C33 H33 120.0 . . ?
C33 C34 H34 120.0 . . ?
C33 C34 C35 120.0 . . ?
C35 C34 H34 120.0 . . ?
C34 C35 H35 120.0 . . ?
C36 C35 C34 120.0 . . ?
C36 C35 H35 120.0 . . ?
C31 C36 H36 120.0 . . ?
C35 C36 C31 120.0 . . ?
C35 C36 H36 120.0 . . ?
O1_2 Al1 F3 101.36(16) . . ?
O1_2 Al1 O1_1 106.0(4) . . ?
O1_2 Al1 O1_3 107.3(6) . . ?
O1_10 Al1 F3 108.2(5) . . ?
O1_10 Al1 O1_2 122.3(5) . . ?
O1_1 Al1 F3 107.0(5) . . ?
O1_1 Al1 O1_3 124.4(8) . . ?
O1_11 Al1 F3 100.1(7) . . ?
O1_11 Al1 O1_2 116.7(7) . . ?
O1_11 Al1 O1_10 105.5(9) . . ?
O1_3 Al1 F3 108.5(6) . . ?
Al1 F3 Al1 180.0 . 2_566 ?
O1_6 Al2 F4 101.2(7) . . ?
O1_6 Al2 O1_4 113.8(8) . . ?
O1_8 Al2 F4 101.1(6) . . ?
O1_8 Al2 O1_9 101.6(8) . . ?
O1_8 Al2 O1_7 111.2(8) . . ?
O1_4 Al2 F4 107.8(7) . . ?
O1_9 Al2 F4 104.7(4) . . ?
O1_5 Al2 F4 108.4(5) . . ?
O1_5 Al2 O1_6 100.1(9) . . ?
O1_5 Al2 O1_4 123.2(9) . . ?
O1_7 Al2 F4 107.5(6) . . ?
O1_7 Al2 O1_9 127.6(7) . . ?
Al2 F4 Al2 180.0 . 2_665 ?
C25A F1A Y1 170.1(11) . . ?
C26A C25A F1A 114.7(13) . . ?
C30A C25A F1A 118.8(13) . . ?
C30A C25A C26A 126.5(12) . . ?
C25A C26A H26A 122.9 . . ?
C25A C26A C27A 114.2(13) . . ?
C27A C26A H26A 122.9 . . ?
C26A C27A H27A 119.1 . . ?
C28A C27A C26A 121.8(15) . . ?
C28A C27A H27A 119.1 . . ?
C27A C28A H28A 119.1 . . ?
C27A C28A C29A 121.8(15) . . ?
C29A C28A H28A 119.1 . . ?
C28A C29A H29A 121.0 . . ?
C28A C29A C30A 118.0(14) . . ?
C30A C29A H29A 121.0 . . ?
C25A C30A C29A 117.4(13) . . ?
C25A C30A H30A 121.3 . . ?
C29A C30A H30A 121.3 . . ?
C31A F2A Y1 156.4(13) . . ?
C32A C31A F2A 115.6(14) . . ?
C36A C31A F2A 116.1(14) . . ?
C36A C31A C32A 127.5(13) . . ?
C31A C32A H32A 123.1 . . ?
C33A C32A C31A 113.8(15) . . ?
C33A C32A H32A 123.1 . . ?
C32A C33A H33A 119.5 . . ?
C34A C33A C32A 121.1(16) . . ?
C34A C33A H33A 119.5 . . ?
C33A C34A H34A 118.8 . . ?
C35A C34A C33A 122.5(15) . . ?
C35A C34A H34A 118.8 . . ?
C34A C35A H35A 120.7 . . ?
C34A C35A C36A 118.7(16) . . ?
C36A C35A H35A 120.7 . . ?
C31A C36A C35A 116.5(15) . . ?
C31A C36A H36A 121.8 . . ?
C35A C36A H36A 121.8 . . ?
C37_2 O1_2 Al1 147.8(4) . . ?
O1_2 C37_2 C38_2 108.4(5) . . ?
O1_2 C37_2 C39_2 110.4(6) . . ?
O1_2 C37_2 C40_2 110.5(5) . . ?
C39_2 C37_2 C38_2 108.8(6) . . ?
C39_2 C37_2 C40_2 107.7(6) . . ?
C40_2 C37_2 C38_2 111.0(6) . . ?
F3_2 C38_2 F5_2 107.7(8) . . ?
F3_2 C38_2 C37_2 111.1(7) . . ?
F4_2 C38_2 F3_2 106.1(7) . . ?
F4_2 C38_2 F5_2 108.6(8) . . ?
F4_2 C38_2 C37_2 111.6(7) . . ?
F5_2 C38_2 C37_2 111.5(6) . . ?
F6_2 C39_2 F7_2 107.1(7) . . ?
F6_2 C39_2 F8_2 106.4(7) . . ?
F6_2 C39_2 C37_2 110.9(6) . . ?
F7_2 C39_2 F8_2 107.7(6) . . ?
F7_2 C39_2 C37_2 112.3(6) . . ?
F8_2 C39_2 C37_2 112.2(7) . . ?
F9_2 C40_2 C37_2 108.6(6) . . ?
F10_2 C40_2 F9_2 108.8(7) . . ?
F10_2 C40_2 F11_2 108.0(7) . . ?
F10_2 C40_2 C37_2 114.5(7) . . ?
F11_2 C40_2 F9_2 106.7(8) . . ?
F11_2 C40_2 C37_2 110.0(6) . . ?
C37_6 O1_6 Al2 147.7(14) . . ?
O1_6 C37_6 C38_6 108.5(11) . . ?
O1_6 C37_6 C39_6 103.5(12) . . ?
O1_6 C37_6 C40_6 109.5(11) . . ?
C39_6 C37_6 C38_6 111.7(11) . . ?
C40_6 C37_6 C38_6 112.4(11) . . ?
C40_6 C37_6 C39_6 110.9(11) . . ?
F3_6 C38_6 C37_6 111.8(14) . . ?
F4_6 C38_6 F3_6 107.2(16) . . ?
F4_6 C38_6 C37_6 108.5(12) . . ?
F5_6 C38_6 F3_6 107.3(15) . . ?
F5_6 C38_6 F4_6 112.6(15) . . ?
F5_6 C38_6 C37_6 109.4(13) . . ?
F6_6 C39_6 C37_6 113.2(12) . . ?
F7_6 C39_6 F6_6 105.2(16) . . ?
F7_6 C39_6 C37_6 113.7(13) . . ?
F8_6 C39_6 F6_6 102.0(13) . . ?
F8_6 C39_6 F7_6 107.8(13) . . ?
F8_6 C39_6 C37_6 113.9(13) . . ?
F9_6 C40_6 F11_6 105.9(14) . . ?
F9_6 C40_6 C37_6 113.3(12) . . ?
F10_6 C40_6 F9_6 112.4(16) . . ?
F10_6 C40_6 F11_6 104.0(15) . . ?
F10_6 C40_6 C37_6 111.8(13) . . ?
F11_6 C40_6 C37_6 108.8(12) . . ?
C37_8 O1_8 Al2 147.5(14) . . ?
O1_8 C37_8 C38_8 110.7(11) . . ?
O1_8 C37_8 C39_8 106.9(10) . . ?
O1_8 C37_8 C40_8 111.0(11) . . ?
C38_8 C37_8 C40_8 109.4(10) . . ?
C39_8 C37_8 C38_8 110.2(9) . . ?
C39_8 C37_8 C40_8 108.6(10) . . ?
F3_8 C38_8 F4_8 105.4(13) . . ?
F3_8 C38_8 F5_8 109.2(11) . . ?
F3_8 C38_8 C37_8 111.0(10) . . ?
F4_8 C38_8 F5_8 109.0(13) . . ?
F4_8 C38_8 C37_8 111.0(11) . . ?
F5_8 C38_8 C37_8 111.1(11) . . ?
F6_8 C39_8 C37_8 111.8(10) . . ?
F7_8 C39_8 F6_8 103.2(12) . . ?
F7_8 C39_8 C37_8 113.1(10) . . ?
F8_8 C39_8 F6_8 109.8(11) . . ?
F8_8 C39_8 F7_8 109.0(12) . . ?
F8_8 C39_8 C37_8 109.8(10) . . ?
F9_8 C40_8 F11_8 104.4(15) . . ?
F9_8 C40_8 C37_8 111.1(12) . . ?
F10_8 C40_8 F9_8 108.8(13) . . ?
F10_8 C40_8 F11_8 106.2(14) . . ?
F10_8 C40_8 C37_8 114.5(13) . . ?
F11_8 C40_8 C37_8 111.2(11) . . ?
C37_4 O1_4 Al2 151.3(15) . . ?
O1_4 C37_4 C38_4 111.2(12) . . ?
O1_4 C37_4 C39_4 108.8(11) . . ?
O1_4 C37_4 C40_4 110.1(11) . . ?
C38_4 C37_4 C40_4 106.5(9) . . ?
C39_4 C37_4 C38_4 111.1(10) . . ?
C39_4 C37_4 C40_4 109.2(10) . . ?
F3_4 C38_4 F4_4 109.0(12) . . ?
F3_4 C38_4 F5_4 106.6(11) . . ?
F3_4 C38_4 C37_4 111.9(10) . . ?
F4_4 C38_4 C37_4 109.7(10) . . ?
F5_4 C38_4 F4_4 107.2(11) . . ?
F5_4 C38_4 C37_4 112.2(11) . . ?
F6_4 C39_4 C37_4 111.2(12) . . ?
F7_4 C39_4 F6_4 108.0(13) . . ?
F7_4 C39_4 C37_4 110.8(11) . . ?
F8_4 C39_4 F6_4 105.2(13) . . ?
F8_4 C39_4 F7_4 110.0(14) . . ?
F8_4 C39_4 C37_4 111.5(11) . . ?
F9_4 C40_4 C37_4 108.1(10) . . ?
F10_4 C40_4 F9_4 108.9(13) . . ?
F10_4 C40_4 F11_4 110.1(12) . . ?
F10_4 C40_4 C37_4 113.5(11) . . ?
F11_4 C40_4 F9_4 105.4(12) . . ?
F11_4 C40_4 C37_4 110.5(11) . . ?
C37_9 O1_9 Al2 152.0(9) . . ?
O1_9 C37_9 C38_9 107.6(10) . . ?
O1_9 C37_9 C39_9 115.1(10) . . ?
O1_9 C37_9 C40_9 106.5(10) . . ?
C38_9 C37_9 C40_9 109.9(10) . . ?
C39_9 C37_9 C38_9 111.6(10) . . ?
C39_9 C37_9 C40_9 105.9(10) . . ?
F3_9 C38_9 F4_9 119.1(13) . . ?
F3_9 C38_9 F5_9 106.0(12) . . ?
F3_9 C38_9 C37_9 104.0(10) . . ?
F4_9 C38_9 C37_9 103.7(11) . . ?
F5_9 C38_9 F4_9 113.7(12) . . ?
F5_9 C38_9 C37_9 109.7(12) . . ?
F6_9 C39_9 C37_9 106.8(12) . . ?
F7_9 C39_9 F6_9 103.9(14) . . ?
F7_9 C39_9 C37_9 112.4(13) . . ?
F8_9 C39_9 F6_9 108.4(15) . . ?
F8_9 C39_9 F7_9 109.4(14) . . ?
F8_9 C39_9 C37_9 115.3(13) . . ?
F9_9 C40_9 F11_9 114.9(14) . . ?
F9_9 C40_9 C37_9 108.8(11) . . ?
F10_9 C40_9 F9_9 106.2(14) . . ?
F10_9 C40_9 F11_9 111.1(14) . . ?
F10_9 C40_9 C37_9 112.8(13) . . ?
F11_9 C40_9 C37_9 103.1(12) . . ?
C37_5 O1_5 Al2 158.6(11) . . ?
O1_5 C37_5 C38_5 112.8(10) . . ?
O1_5 C37_5 C39_5 107.2(10) . . ?
O1_5 C37_5 C40_5 105.9(10) . . ?
C38_5 C37_5 C39_5 109.2(10) . . ?
C38_5 C37_5 C40_5 116.8(11) . . ?
C39_5 C37_5 C40_5 104.2(10) . . ?
F3_5 C38_5 C37_5 112.5(13) . . ?
F4_5 C38_5 F3_5 104.7(15) . . ?
F4_5 C38_5 F5_5 106.9(14) . . ?
F4_5 C38_5 C37_5 113.8(12) . . ?
F5_5 C38_5 F3_5 108.9(15) . . ?
F5_5 C38_5 C37_5 109.7(11) . . ?
F6_5 C39_5 C37_5 106.6(12) . . ?
F7_5 C39_5 F6_5 111.5(14) . . ?
F7_5 C39_5 C37_5 114.8(12) . . ?
F8_5 C39_5 F6_5 99.3(14) . . ?
F8_5 C39_5 F7_5 112.4(13) . . ?
F8_5 C39_5 C37_5 111.0(11) . . ?
F9_5 C40_5 F11_5 105.0(14) . . ?
F9_5 C40_5 C37_5 110.1(13) . . ?
F10_5 C40_5 F9_5 105.8(16) . . ?
F10_5 C40_5 F11_5 110.2(14) . . ?
F10_5 C40_5 C37_5 113.0(13) . . ?
F11_5 C40_5 C37_5 112.2(12) . . ?
C37_7 O1_7 Al2 167.1(14) . . ?
O1_7 C37_7 C38_7 109.6(11) . . ?
O1_7 C37_7 C39_7 108.4(11) . . ?
O1_7 C37_7 C40_7 115.9(11) . . ?
C39_7 C37_7 C38_7 110.1(10) . . ?
C40_7 C37_7 C38_7 110.2(10) . . ?
C40_7 C37_7 C39_7 102.3(10) . . ?
F3_7 C38_7 F4_7 112.4(14) . . ?
F3_7 C38_7 F5_7 108.3(14) . . ?
F3_7 C38_7 C37_7 109.9(11) . . ?
F4_7 C38_7 F5_7 106.2(12) . . ?
F4_7 C38_7 C37_7 110.3(10) . . ?
F5_7 C38_7 C37_7 109.6(11) . . ?
F6_7 C39_7 C37_7 107.6(10) . . ?
F7_7 C39_7 F6_7 112.8(15) . . ?
F7_7 C39_7 F8_7 103.9(15) . . ?
F7_7 C39_7 C37_7 108.9(11) . . ?
F8_7 C39_7 F6_7 103.0(15) . . ?
F8_7 C39_7 C37_7 120.7(14) . . ?
F9_7 C40_7 C37_7 105.7(11) . . ?
F10_7 C40_7 F9_7 113.0(16) . . ?
F10_7 C40_7 F11_7 108.2(14) . . ?
F10_7 C40_7 C37_7 109.5(12) . . ?
F11_7 C40_7 F9_7 105.3(15) . . ?
F11_7 C40_7 C37_7 115.0(12) . . ?
C37_10 O1_10 Al1 157.0(11) . . ?
O1_10 C37_10 C38_10 105.7(9) . . ?
O1_10 C37_10 C39_10 115.7(10) . . ?
O1_10 C37_10 C40_10 107.7(10) . . ?
C38_10 C37_10 C40_10 111.9(9) . . ?
C39_10 C37_10 C38_10 109.2(9) . . ?
C39_10 C37_10 C40_10 106.6(9) . . ?
F3_10 C38_10 F4_10 111.4(14) . . ?
F3_10 C38_10 C37_10 109.0(10) . . ?
F4_10 C38_10 C37_10 109.3(13) . . ?
F5_10 C38_10 F3_10 106.6(13) . . ?
F5_10 C38_10 F4_10 108.0(14) . . ?
F5_10 C38_10 C37_10 112.5(11) . . ?
F6_10 C39_10 C37_10 110.2(11) . . ?
F7_10 C39_10 F6_10 109.3(15) . . ?
F7_10 C39_10 F8_10 107.2(14) . . ?
F7_10 C39_10 C37_10 111.8(11) . . ?
F8_10 C39_10 F6_10 103.9(14) . . ?
F8_10 C39_10 C37_10 114.1(12) . . ?
F9_10 C40_10 F10_10 107.7(13) . . ?
F9_10 C40_10 F11_10 105.4(12) . . ?
F9_10 C40_10 C37_10 113.6(10) . . ?
F10_10 C40_10 F11_10 111.4(12) . . ?
F10_10 C40_10 C37_10 108.2(12) . . ?
F11_10 C40_10 C37_10 110.6(10) . . ?
C37_1 O1_1 Al1 151.9(10) . . ?
O1_1 C37_1 C38_1 107.5(9) . . ?
O1_1 C37_1 C39_1 104.4(9) . . ?
O1_1 C37_1 C40_1 114.1(9) . . ?
C38_1 C37_1 C39_1 112.5(8) . . ?
C38_1 C37_1 C40_1 110.6(9) . . ?
C40_1 C37_1 C39_1 107.8(8) . . ?
F3_1 C38_1 F4_1 109.4(13) . . ?
F3_1 C38_1 F5_1 106.5(12) . . ?
F3_1 C38_1 C37_1 112.5(12) . . ?
F4_1 C38_1 C37_1 111.0(10) . . ?
F5_1 C38_1 F4_1 104.9(13) . . ?
F5_1 C38_1 C37_1 112.2(9) . . ?
F6_1 C39_1 C37_1 107.6(10) . . ?
F7_1 C39_1 F6_1 109.0(13) . . ?
F7_1 C39_1 F8_1 108.5(9) . . ?
F7_1 C39_1 C37_1 112.1(9) . . ?
F8_1 C39_1 F6_1 106.7(11) . . ?
F8_1 C39_1 C37_1 112.7(8) . . ?
F9_1 C40_1 F11_1 106.7(12) . . ?
F9_1 C40_1 C37_1 110.1(9) . . ?
F10_1 C40_1 F9_1 103.9(12) . . ?
F10_1 C40_1 F11_1 109.3(11) . . ?
F10_1 C40_1 C37_1 119.8(11) . . ?
F11_1 C40_1 C37_1 106.3(9) . . ?
C37_11 O1_11 Al1 157.6(16) . . ?
O1_11 C37_11 C38_11 106.3(11) . . ?
O1_11 C37_11 C39_11 111.8(12) . . ?
O1_11 C37_11 C40_11 109.3(12) . . ?
C39_11 C37_11 C38_11 111.4(10) . . ?
C39_11 C37_11 C40_11 108.1(10) . . ?
C40_11 C37_11 C38_11 109.9(10) . . ?
F3_11 C38_11 F4_11 108.8(14) . . ?
F3_11 C38_11 F5_11 107.5(12) . . ?
F3_11 C38_11 C37_11 111.7(13) . . ?
F4_11 C38_11 F5_11 106.9(12) . . ?
F4_11 C38_11 C37_11 110.9(11) . . ?
F5_11 C38_11 C37_11 110.9(11) . . ?
F6_11 C39_11 C37_11 109.0(11) . . ?
F7_11 C39_11 F6_11 106.4(13) . . ?
F7_11 C39_11 C37_11 112.9(13) . . ?
F8_11 C39_11 F6_11 110.0(14) . . ?
F8_11 C39_11 F7_11 105.8(15) . . ?
F8_11 C39_11 C37_11 112.4(12) . . ?
F9_11 C40_11 F11_11 106.7(14) . . ?
F9_11 C40_11 C37_11 108.7(12) . . ?
F10_11 C40_11 F9_11 108.8(13) . . ?
F10_11 C40_11 F11_11 107.6(13) . . ?
F10_11 C40_11 C37_11 114.1(12) . . ?
F11_11 C40_11 C37_11 110.6(12) . . ?
C37_3 O1_3 Al1 151.6(13) . . ?
O1_3 C37_3 C38_3 111.6(10) . . ?
O1_3 C37_3 C39_3 108.6(11) . . ?
O1_3 C37_3 C40_3 114.0(10) . . ?
C38_3 C37_3 C39_3 108.6(9) . . ?
C38_3 C37_3 C40_3 106.5(9) . . ?
C39_3 C37_3 C40_3 107.4(9) . . ?
F3_3 C38_3 F4_3 106.8(11) . . ?
F3_3 C38_3 F5_3 107.6(10) . . ?
F3_3 C38_3 C37_3 112.4(11) . . ?
F4_3 C38_3 C37_3 109.6(9) . . ?
F5_3 C38_3 F4_3 106.1(9) . . ?
F5_3 C38_3 C37_3 113.8(9) . . ?
F6_3 C39_3 C37_3 109.4(9) . . ?
F7_3 C39_3 F6_3 108.4(12) . . ?
F7_3 C39_3 C37_3 110.2(13) . . ?
F8_3 C39_3 F6_3 105.3(10) . . ?
F8_3 C39_3 F7_3 109.1(12) . . ?
F8_3 C39_3 C37_3 114.2(10) . . ?
F9_3 C40_3 F11_3 108.1(11) . . ?
F9_3 C40_3 C37_3 109.0(11) . . ?
F10_3 C40_3 F9_3 109.1(11) . . ?
F10_3 C40_3 F11_3 106.8(11) . . ?
F10_3 C40_3 C37_3 113.9(9) . . ?
F11_3 C40_3 C37_3 109.6(10) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Y1 C1 C2 Si2 124.9(5) . . . . ?
Y1 C1 C2 C3 -66.9(4) . . . . ?
Y1 C1 C5 C4 66.0(4) . . . . ?
Y1 C2 C3 C4 -66.6(4) . . . . ?
Y1 C3 C4 Si3 134.0(5) . . . . ?
Y1 C3 C4 C5 -68.1(4) . . . . ?
Y1 C4 C5 C1 -66.3(4) . . . . ?
Y1 C15 C16 C17 -67.87(11) . . . . ?
Y1 C15 C16 C21 112.12(11) . . . . ?
Y1 C15 C19 C18 68.10(10) . . . . ?
Y1 C15 C19 C24 -111.94(10) . . . . ?
Y1 C16 C17 C18 -67.33(10) . . . . ?
Y1 C16 C17 C22 112.62(10) . . . . ?
Y1 C17 C18 C19 -67.26(10) . . . . ?
Y1 C17 C18 C23 112.75(10) . . . . ?
Y1 C18 C19 C15 -67.73(11) . . . . ?
Y1 C18 C19 C24 112.31(11) . . . . ?
Y1 F1 C25 C26 -112(2) . . . . ?
Y1 F1 C25 C30 65(3) . . . . ?
Y1 F2 C31 C32 -172(7) . . . . ?
Y1 F2 C31 C36 19(10) . . . . ?
Y1 F2A C31A C32A 62(4) . . . . ?
Y1 F2A C31A C36A -128(3) . . . . ?
Si1 C1 C2 Y1 -131.9(5) . . . . ?
Si1 C1 C2 Si2 -7.0(9) . . . . ?
Si1 C1 C2 C3 161.2(4) . . . . ?
Si1 C1 C5 Y1 128.7(4) . . . . ?
Si1 C1 C5 C4 -165.3(4) . . . . ?
Si2 C2 C3 Y1 -123.1(4) . . . . ?
Si2 C2 C3 C4 170.3(4) . . . . ?
Si3 C4 C5 Y1 -132.5(4) . . . . ?
Si3 C4 C5 C1 161.1(4) . . . . ?
C1 C2 C3 Y1 67.4(4) . . . . ?
C1 C2 C3 C4 0.8(6) . . . . ?
C2 C1 C5 Y1 -67.0(4) . . . . ?
C2 C1 C5 C4 -1.0(6) . . . . ?
C2 C3 C4 Y1 66.7(4) . . . . ?
C2 C3 C4 Si3 -159.3(4) . . . . ?
C2 C3 C4 C5 -1.4(6) . . . . ?
C3 C4 C5 Y1 67.9(4) . . . . ?
C3 C4 C5 C1 1.5(6) . . . . ?
C5 C1 C2 Y1 67.0(4) . . . . ?
C5 C1 C2 Si2 -168.1(4) . . . . ?
C5 C1 C2 C3 0.1(6) . . . . ?
C6 Si1 C1 Y1 168.8(4) . . . . ?
C6 Si1 C1 C2 -83.4(6) . . . . ?
C6 Si1 C1 C5 75.8(5) . . . . ?
C7 Si1 C1 Y1 54.1(4) . . . . ?
C7 Si1 C1 C2 161.9(5) . . . . ?
C7 Si1 C1 C5 -39.0(5) . . . . ?
C8 Si1 C1 Y1 -67.7(4) . . . . ?
C8 Si1 C1 C2 40.0(7) . . . . ?
C8 Si1 C1 C5 -160.8(5) . . . . ?
C9 Si2 C2 Y1 156.1(3) . . . . ?
C9 Si2 C2 C1 55.0(6) . . . . ?
C9 Si2 C2 C3 -111.5(5) . . . . ?
C10 Si2 C2 Y1 34.1(4) . . . . ?
C10 Si2 C2 C1 -66.9(6) . . . . ?
C10 Si2 C2 C3 126.5(5) . . . . ?
C11 Si2 C2 Y1 -86.3(4) . . . . ?
C11 Si2 C2 C1 172.6(5) . . . . ?
C11 Si2 C2 C3 6.1(6) . . . . ?
C12 Si3 C4 Y1 -154.5(5) . . . . ?
C12 Si3 C4 C3 99.4(6) . . . . ?
C12 Si3 C4 C5 -55.0(6) . . . . ?
C13 Si3 C4 Y1 84.8(5) . . . . ?
C13 Si3 C4 C3 -21.3(6) . . . . ?
C13 Si3 C4 C5 -175.7(5) . . . . ?
C14 Si3 C4 Y1 -39.1(5) . . . . ?
C14 Si3 C4 C3 -145.3(6) . . . . ?
C14 Si3 C4 C5 60.4(6) . . . . ?
C15 C16 C17 Y1 67.35(10) . . . . ?
C15 C16 C17 C18 0.0 . . . . ?
C15 C16 C17 C22 180.0 . . . . ?
C16 C15 C19 Y1 -68.09(10) . . . . ?
C16 C15 C19 C18 0.0 . . . . ?
C16 C15 C19 C24 180.0 . . . . ?
C16 C17 C18 Y1 67.24(10) . . . . ?
C16 C17 C18 C19 0.0 . . . . ?
C16 C17 C18 C23 180.0 . . . . ?
C17 C18 C19 Y1 67.74(11) . . . . ?
C17 C18 C19 C15 0.0 . . . . ?
C17 C18 C19 C24 -180.0 . . . . ?
C19 C15 C16 Y1 67.85(11) . . . . ?
C19 C15 C16 C17 0.0 . . . . ?
C19 C15 C16 C21 180.0 . . . . ?
C20 C15 C16 Y1 -112.13(11) . . . . ?
C20 C15 C16 C17 180.0 . . . . ?
C20 C15 C16 C21 0.0 . . . . ?
C20 C15 C19 Y1 111.90(10) . . . . ?
C20 C15 C19 C18 180.0 . . . . ?
C20 C15 C19 C24 0.0 . . . . ?
C21 C16 C17 Y1 -112.64(10) . . . . ?
C21 C16 C17 C18 -180.0 . . . . ?
C21 C16 C17 C22 0.0 . . . . ?
C22 C17 C18 Y1 -112.71(10) . . . . ?
C22 C17 C18 C19 -180.0 . . . . ?
C22 C17 C18 C23 0.0 . . . . ?
C23 C18 C19 Y1 -112.28(11) . . . . ?
C23 C18 C19 C15 180.0 . . . . ?
C23 C18 C19 C24 0.0 . . . . ?
F1 C25 C26 C27 177(2) . . . . ?
F1 C25 C30 C29 -177(2) . . . . ?
C25 C26 C27 C28 0.0 . . . . ?
C26 C25 C30 C29 0.0 . . . . ?
C26 C27 C28 C29 0.0 . . . . ?
C27 C28 C29 C30 0.0 . . . . ?
C28 C29 C30 C25 0.0 . . . . ?
C30 C25 C26 C27 0.0 . . . . ?
F2 C31 C32 C33 -169(3) . . . . ?
F2 C31 C36 C35 169(3) . . . . ?
C31 C32 C33 C34 0.0 . . . . ?
C32 C31 C36 C35 0.0 . . . . ?
C32 C33 C34 C35 0.0 . . . . ?
C33 C34 C35 C36 0.0 . . . . ?
C34 C35 C36 C31 0.0 . . . . ?
C36 C31 C32 C33 0.0 . . . . ?
Al1 O1_2 C37_2 C38_2 -154.3(7) . . . . ?
Al1 O1_2 C37_2 C39_2 86.6(9) . . . . ?
Al1 O1_2 C37_2 C40_2 -32.5(11) . . . . ?
Al1 O1_10 C37_10 C38_10 -178(3) . . . . ?
Al1 O1_10 C37_10 C39_10 61(3) . . . . ?
Al1 O1_10 C37_10 C40_10 -58(3) . . . . ?
Al1 O1_1 C37_1 C38_1 -155.4(19) . . . . ?
Al1 O1_1 C37_1 C39_1 85(2) . . . . ?
Al1 O1_1 C37_1 C40_1 -32(3) . . . . ?
Al1 O1_11 C37_11 C38_11 134(4) . . . . ?
Al1 O1_11 C37_11 C39_11 12(4) . . . . ?
Al1 O1_11 C37_11 C40_11 -108(4) . . . . ?
Al1 O1_3 C37_3 C38_3 -162(2) . . . . ?
Al1 O1_3 C37_3 C39_3 78(3) . . . . ?
Al1 O1_3 C37_3 C40_3 -42(3) . . . . ?
F3 Al1 O1_2 C37_2 -168.4(8) . . . . ?
F3 Al1 O1_10 C37_10 30(3) . . . . ?
F3 Al1 O1_1 C37_1 -43(2) . . . . ?
F3 Al1 O1_11 C37_11 162(4) . . . . ?
F3 Al1 O1_3 C37_3 91(3) . . . . ?
Al2 O1_6 C37_6 C38_6 170(2) . . . . ?
Al2 O1_6 C37_6 C39_6 52(3) . . . . ?
Al2 O1_6 C37_6 C40_6 -67(3) . . . . ?
Al2 O1_8 C37_8 C38_8 -13(3) . . . . ?
Al2 O1_8 C37_8 C39_8 -133(2) . . . . ?
Al2 O1_8 C37_8 C40_8 109(3) . . . . ?
Al2 O1_4 C37_4 C38_4 70(3) . . . . ?
Al2 O1_4 C37_4 C39_4 -52(3) . . . . ?
Al2 O1_4 C37_4 C40_4 -172(3) . . . . ?
Al2 O1_9 C37_9 C38_9 169.9(16) . . . . ?
Al2 O1_9 C37_9 C39_9 45(2) . . . . ?
Al2 O1_9 C37_9 C40_9 -72(2) . . . . ?
Al2 O1_5 C37_5 C38_5 -159(3) . . . . ?
Al2 O1_5 C37_5 C39_5 81(3) . . . . ?
Al2 O1_5 C37_5 C40_5 -30(4) . . . . ?
Al2 O1_7 C37_7 C38_7 79(6) . . . . ?
Al2 O1_7 C37_7 C39_7 -41(6) . . . . ?
Al2 O1_7 C37_7 C40_7 -156(6) . . . . ?
F4 Al2 O1_6 C37_6 162(3) . . . . ?
F4 Al2 O1_8 C37_8 175(3) . . . . ?
F4 Al2 O1_4 C37_4 106(3) . . . . ?
F4 Al2 O1_9 C37_9 51(2) . . . . ?
F4 Al2 O1_5 C37_5 -14(3) . . . . ?
F4 Al2 O1_7 C37_7 -100(6) . . . . ?
F1A C25A C26A C27A 179(2) . . . . ?
F1A C25A C30A C29A -175(2) . . . . ?
C25A C26A C27A C28A 1(3) . . . . ?
C26A C25A C30A C29A 6(3) . . . . ?
C26A C27A C28A C29A -3(4) . . . . ?
C27A C28A C29A C30A 6(4) . . . . ?
C28A C29A C30A C25A -8(3) . . . . ?
C30A C25A C26A C27A -2(3) . . . . ?
F2A C31A C32A C33A 169(2) . . . . ?
F2A C31A C36A C35A -168(3) . . . . ?
C31A C32A C33A C34A -2(3) . . . . ?
C32A C31A C36A C35A 1(3) . . . . ?
C32A C33A C34A C35A 3(4) . . . . ?
C33A C34A C35A C36A -2(4) . . . . ?
C34A C35A C36A C31A 0(3) . . . . ?
C36A C31A C32A C33A 0(3) . . . . ?
O1_2 Al1 O1_10 C37_10 -86(3) . . . . ?
O1_2 Al1 O1_1 C37_1 -150(2) . . . . ?
O1_2 Al1 O1_11 C37_11 -90(4) . . . . ?
O1_2 Al1 O1_3 C37_3 -160(3) . . . . ?
O1_2 C37_2 C38_2 F3_2 45.0(8) . . . . ?
O1_2 C37_2 C38_2 F4_2 -73.3(8) . . . . ?
O1_2 C37_2 C38_2 F5_2 165.1(8) . . . . ?
O1_2 C37_2 C39_2 F6_2 44.8(8) . . . . ?
O1_2 C37_2 C39_2 F7_2 -74.9(8) . . . . ?
O1_2 C37_2 C39_2 F8_2 163.6(6) . . . . ?
O1_2 C37_2 C40_2 F9_2 -74.7(8) . . . . ?
O1_2 C37_2 C40_2 F10_2 163.4(7) . . . . ?
O1_2 C37_2 C40_2 F11_2 41.6(9) . . . . ?
C38_2 C37_2 C39_2 F6_2 -74.0(8) . . . . ?
C38_2 C37_2 C39_2 F7_2 166.3(7) . . . . ?
C38_2 C37_2 C39_2 F8_2 44.8(8) . . . . ?
C38_2 C37_2 C40_2 F9_2 45.5(9) . . . . ?
C38_2 C37_2 C40_2 F10_2 -76.3(9) . . . . ?
C38_2 C37_2 C40_2 F11_2 161.9(7) . . . . ?
C39_2 C37_2 C38_2 F3_2 165.1(6) . . . . ?
C39_2 C37_2 C38_2 F4_2 46.9(8) . . . . ?
C39_2 C37_2 C38_2 F5_2 -74.8(10) . . . . ?
C39_2 C37_2 C40_2 F9_2 164.6(6) . . . . ?
C39_2 C37_2 C40_2 F10_2 42.7(9) . . . . ?
C39_2 C37_2 C40_2 F11_2 -79.0(8) . . . . ?
C40_2 C37_2 C38_2 F3_2 -76.5(8) . . . . ?
C40_2 C37_2 C38_2 F4_2 165.2(7) . . . . ?
C40_2 C37_2 C38_2 F5_2 43.6(10) . . . . ?
C40_2 C37_2 C39_2 F6_2 165.6(6) . . . . ?
C40_2 C37_2 C39_2 F7_2 45.9(8) . . . . ?
C40_2 C37_2 C39_2 F8_2 -75.6(8) . . . . ?
O1_6 Al2 O1_4 C37_4 -142(3) . . . . ?
O1_6 Al2 O1_5 C37_5 -119(3) . . . . ?
O1_6 C37_6 C38_6 F3_6 76.0(17) . . . . ?
O1_6 C37_6 C38_6 F4_6 -42.0(17) . . . . ?
O1_6 C37_6 C38_6 F5_6 -165.2(17) . . . . ?
O1_6 C37_6 C39_6 F6_6 -45.8(16) . . . . ?
O1_6 C37_6 C39_6 F7_6 74.2(17) . . . . ?
O1_6 C37_6 C39_6 F8_6 -161.8(14) . . . . ?
O1_6 C37_6 C40_6 F9_6 -37.7(19) . . . . ?
O1_6 C37_6 C40_6 F10_6 -165.9(19) . . . . ?
O1_6 C37_6 C40_6 F11_6 79.8(16) . . . . ?
C38_6 C37_6 C39_6 F6_6 -162.3(14) . . . . ?
C38_6 C37_6 C39_6 F7_6 -42.3(18) . . . . ?
C38_6 C37_6 C39_6 F8_6 81.7(15) . . . . ?
C38_6 C37_6 C40_6 F9_6 83.0(16) . . . . ?
C38_6 C37_6 C40_6 F10_6 -45(2) . . . . ?
C38_6 C37_6 C40_6 F11_6 -159.6(13) . . . . ?
C39_6 C37_6 C38_6 F3_6 -170.6(13) . . . . ?
C39_6 C37_6 C38_6 F4_6 71.4(15) . . . . ?
C39_6 C37_6 C38_6 F5_6 -51.8(18) . . . . ?
C39_6 C37_6 C40_6 F9_6 -151.3(14) . . . . ?
C39_6 C37_6 C40_6 F10_6 80.5(19) . . . . ?
C39_6 C37_6 C40_6 F11_6 -33.8(16) . . . . ?
C40_6 C37_6 C38_6 F3_6 -45.2(17) . . . . ?
C40_6 C37_6 C38_6 F4_6 -163.2(14) . . . . ?
C40_6 C37_6 C38_6 F5_6 73.6(18) . . . . ?
C40_6 C37_6 C39_6 F6_6 71.5(16) . . . . ?
C40_6 C37_6 C39_6 F7_6 -168.5(15) . . . . ?
C40_6 C37_6 C39_6 F8_6 -44.5(17) . . . . ?
O1_8 Al2 O1_9 C37_9 156(2) . . . . ?
O1_8 Al2 O1_7 C37_7 150(6) . . . . ?
O1_8 C37_8 C38_8 F3_8 42.0(17) . . . . ?
O1_8 C37_8 C38_8 F4_8 -74.9(14) . . . . ?
O1_8 C37_8 C38_8 F5_8 163.6(14) . . . . ?
O1_8 C37_8 C39_8 F6_8 162.8(14) . . . . ?
O1_8 C37_8 C39_8 F7_8 46.8(16) . . . . ?
O1_8 C37_8 C39_8 F8_8 -75.1(15) . . . . ?
O1_8 C37_8 C40_8 F9_8 -70.7(16) . . . . ?
O1_8 C37_8 C40_8 F10_8 165.5(15) . . . . ?
O1_8 C37_8 C40_8 F11_8 45.1(17) . . . . ?
C38_8 C37_8 C39_8 F6_8 42.4(15) . . . . ?
C38_8 C37_8 C39_8 F7_8 -73.6(14) . . . . ?
C38_8 C37_8 C39_8 F8_8 164.5(11) . . . . ?
C38_8 C37_8 C40_8 F9_8 51.7(15) . . . . ?
C38_8 C37_8 C40_8 F10_8 -72.0(16) . . . . ?
C38_8 C37_8 C40_8 F11_8 167.6(12) . . . . ?
C39_8 C37_8 C38_8 F3_8 160.0(12) . . . . ?
C39_8 C37_8 C38_8 F4_8 43.1(13) . . . . ?
C39_8 C37_8 C38_8 F5_8 -78.4(14) . . . . ?
C39_8 C37_8 C40_8 F9_8 172.1(13) . . . . ?
C39_8 C37_8 C40_8 F10_8 48.3(16) . . . . ?
C39_8 C37_8 C40_8 F11_8 -72.1(15) . . . . ?
C40_8 C37_8 C38_8 F3_8 -80.6(14) . . . . ?
C40_8 C37_8 C38_8 F4_8 162.5(11) . . . . ?
C40_8 C37_8 C38_8 F5_8 41.0(15) . . . . ?
C40_8 C37_8 C39_8 F6_8 -77.4(14) . . . . ?
C40_8 C37_8 C39_8 F7_8 166.6(12) . . . . ?
C40_8 C37_8 C39_8 F8_8 44.7(14) . . . . ?
O1_4 Al2 O1_6 C37_6 47(3) . . . . ?
O1_4 Al2 O1_5 C37_5 113(3) . . . . ?
O1_4 C37_4 C38_4 F3_4 73.5(15) . . . . ?
O1_4 C37_4 C38_4 F4_4 -47.6(16) . . . . ?
O1_4 C37_4 C38_4 F5_4 -166.7(12) . . . . ?
O1_4 C37_4 C39_4 F6_4 -160.6(15) . . . . ?
O1_4 C37_4 C39_4 F7_4 79.3(16) . . . . ?
O1_4 C37_4 C39_4 F8_4 -43.6(17) . . . . ?
O1_4 C37_4 C40_4 F9_4 -44.5(15) . . . . ?
O1_4 C37_4 C40_4 F10_4 -165.3(15) . . . . ?
O1_4 C37_4 C40_4 F11_4 70.5(16) . . . . ?
C38_4 C37_4 C39_4 F6_4 76.8(15) . . . . ?
C38_4 C37_4 C39_4 F7_4 -43.4(15) . . . . ?
C38_4 C37_4 C39_4 F8_4 -166.2(12) . . . . ?
C38_4 C37_4 C40_4 F9_4 76.2(12) . . . . ?
C38_4 C37_4 C40_4 F10_4 -44.6(16) . . . . ?
C38_4 C37_4 C40_4 F11_4 -168.9(12) . . . . ?
C39_4 C37_4 C38_4 F3_4 -165.2(11) . . . . ?
C39_4 C37_4 C38_4 F4_4 73.7(14) . . . . ?
C39_4 C37_4 C38_4 F5_4 -45.4(14) . . . . ?
C39_4 C37_4 C40_4 F9_4 -163.8(11) . . . . ?
C39_4 C37_4 C40_4 F10_4 75.4(15) . . . . ?
C39_4 C37_4 C40_4 F11_4 -48.9(14) . . . . ?
C40_4 C37_4 C38_4 F3_4 -46.4(14) . . . . ?
C40_4 C37_4 C38_4 F4_4 -167.6(12) . . . . ?
C40_4 C37_4 C38_4 F5_4 73.3(13) . . . . ?
C40_4 C37_4 C39_4 F6_4 -40.4(15) . . . . ?
C40_4 C37_4 C39_4 F7_4 -160.6(12) . . . . ?
C40_4 C37_4 C39_4 F8_4 76.6(14) . . . . ?
O1_9 Al2 O1_8 C37_8 67(3) . . . . ?
O1_9 Al2 O1_7 C37_7 25(6) . . . . ?
O1_9 C37_9 C38_9 F3_9 70.6(12) . . . . ?
O1_9 C37_9 C38_9 F4_9 -54.6(13) . . . . ?
O1_9 C37_9 C38_9 F5_9 -176.4(12) . . . . ?
O1_9 C37_9 C39_9 F6_9 82.3(15) . . . . ?
O1_9 C37_9 C39_9 F7_9 -164.4(14) . . . . ?
O1_9 C37_9 C39_9 F8_9 -38.1(18) . . . . ?
O1_9 C37_9 C40_9 F9_9 -40.9(14) . . . . ?
O1_9 C37_9 C40_9 F10_9 -158.6(15) . . . . ?
O1_9 C37_9 C40_9 F11_9 81.5(14) . . . . ?
C38_9 C37_9 C39_9 F6_9 -40.8(15) . . . . ?
C38_9 C37_9 C39_9 F7_9 72.6(16) . . . . ?
C38_9 C37_9 C39_9 F8_9 -161.2(14) . . . . ?
C38_9 C37_9 C40_9 F9_9 75.4(14) . . . . ?
C38_9 C37_9 C40_9 F10_9 -42.2(17) . . . . ?
C38_9 C37_9 C40_9 F11_9 -162.2(12) . . . . ?
C39_9 C37_9 C38_9 F3_9 -162.2(11) . . . . ?
C39_9 C37_9 C38_9 F4_9 72.6(13) . . . . ?
C39_9 C37_9 C38_9 F5_9 -49.2(15) . . . . ?
C39_9 C37_9 C40_9 F9_9 -163.9(12) . . . . ?
C39_9 C37_9 C40_9 F10_9 78.5(17) . . . . ?
C39_9 C37_9 C40_9 F11_9 -41.5(14) . . . . ?
C40_9 C37_9 C38_9 F3_9 -45.0(13) . . . . ?
C40_9 C37_9 C38_9 F4_9 -170.2(11) . . . . ?
C40_9 C37_9 C38_9 F5_9 68.0(14) . . . . ?
C40_9 C37_9 C39_9 F6_9 -160.4(13) . . . . ?
C40_9 C37_9 C39_9 F7_9 -47.0(16) . . . . ?
C40_9 C37_9 C39_9 F8_9 79.2(16) . . . . ?
O1_5 Al2 O1_6 C37_6 -86(3) . . . . ?
O1_5 Al2 O1_4 C37_4 -21(4) . . . . ?
O1_5 C37_5 C38_5 F3_5 59.3(19) . . . . ?
O1_5 C37_5 C38_5 F4_5 -59.6(18) . . . . ?
O1_5 C37_5 C38_5 F5_5 -179.4(14) . . . . ?
O1_5 C37_5 C39_5 F6_5 72.1(15) . . . . ?
O1_5 C37_5 C39_5 F7_5 -163.8(14) . . . . ?
O1_5 C37_5 C39_5 F8_5 -35.0(16) . . . . ?
O1_5 C37_5 C40_5 F9_5 -41.4(18) . . . . ?
O1_5 C37_5 C40_5 F10_5 -159.5(16) . . . . ?
O1_5 C37_5 C40_5 F11_5 75.1(15) . . . . ?
C38_5 C37_5 C39_5 F6_5 -50.4(15) . . . . ?
C38_5 C37_5 C39_5 F7_5 73.7(15) . . . . ?
C38_5 C37_5 C39_5 F8_5 -157.5(13) . . . . ?
C38_5 C37_5 C40_5 F9_5 85.1(17) . . . . ?
C38_5 C37_5 C40_5 F10_5 -32.9(19) . . . . ?
C38_5 C37_5 C40_5 F11_5 -158.3(13) . . . . ?
C39_5 C37_5 C38_5 F3_5 178.3(16) . . . . ?
C39_5 C37_5 C38_5 F4_5 59.4(17) . . . . ?
C39_5 C37_5 C38_5 F5_5 -60.3(16) . . . . ?
C39_5 C37_5 C40_5 F9_5 -154.3(15) . . . . ?
C39_5 C37_5 C40_5 F10_5 87.6(16) . . . . ?
C39_5 C37_5 C40_5 F11_5 -37.8(15) . . . . ?
C40_5 C37_5 C38_5 F3_5 -63.8(19) . . . . ?
C40_5 C37_5 C38_5 F4_5 177.3(15) . . . . ?
C40_5 C37_5 C38_5 F5_5 57.5(17) . . . . ?
C40_5 C37_5 C39_5 F6_5 -175.9(14) . . . . ?
C40_5 C37_5 C39_5 F7_5 -51.8(15) . . . . ?
C40_5 C37_5 C39_5 F8_5 77.0(15) . . . . ?
O1_7 Al2 O1_8 C37_8 -71(3) . . . . ?
O1_7 Al2 O1_9 C37_9 -75(2) . . . . ?
O1_7 C37_7 C38_7 F3_7 77.5(18) . . . . ?
O1_7 C37_7 C38_7 F4_7 -47.0(16) . . . . ?
O1_7 C37_7 C38_7 F5_7 -163.6(14) . . . . ?
O1_7 C37_7 C39_7 F6_7 -39.0(17) . . . . ?
O1_7 C37_7 C39_7 F7_7 83.6(16) . . . . ?
O1_7 C37_7 C39_7 F8_7 -156.5(19) . . . . ?
O1_7 C37_7 C40_7 F9_7 -68.2(18) . . . . ?
O1_7 C37_7 C40_7 F10_7 169.7(15) . . . . ?
O1_7 C37_7 C40_7 F11_7 47.6(19) . . . . ?
C38_7 C37_7 C39_7 F6_7 -158.9(14) . . . . ?
C38_7 C37_7 C39_7 F7_7 -36.3(16) . . . . ?
C38_7 C37_7 C39_7 F8_7 84(2) . . . . ?
C38_7 C37_7 C40_7 F9_7 57.0(16) . . . . ?
C38_7 C37_7 C40_7 F10_7 -65.1(16) . . . . ?
C38_7 C37_7 C40_7 F11_7 172.7(14) . . . . ?
C39_7 C37_7 C38_7 F3_7 -163.4(15) . . . . ?
C39_7 C37_7 C38_7 F4_7 72.2(14) . . . . ?
C39_7 C37_7 C38_7 F5_7 -44.4(15) . . . . ?
C39_7 C37_7 C40_7 F9_7 174.1(14) . . . . ?
C39_7 C37_7 C40_7 F10_7 52.0(16) . . . . ?
C39_7 C37_7 C40_7 F11_7 -70.1(16) . . . . ?
C40_7 C37_7 C38_7 F3_7 -51.2(17) . . . . ?
C40_7 C37_7 C38_7 F4_7 -175.6(12) . . . . ?
C40_7 C37_7 C38_7 F5_7 67.7(14) . . . . ?
C40_7 C37_7 C39_7 F6_7 83.9(15) . . . . ?
C40_7 C37_7 C39_7 F7_7 -153.5(14) . . . . ?
C40_7 C37_7 C39_7 F8_7 -34(2) . . . . ?
O1_10 Al1 O1_2 C37_2 -48.1(11) . . . . ?
O1_10 Al1 O1_11 C37_11 50(4) . . . . ?
O1_10 C37_10 C38_10 F3_10 72.5(14) . . . . ?
O1_10 C37_10 C38_10 F4_10 -49.5(16) . . . . ?
O1_10 C37_10 C38_10 F5_10 -169.5(13) . . . . ?
O1_10 C37_10 C39_10 F6_10 75.3(18) . . . . ?
O1_10 C37_10 C39_10 F7_10 -163.0(13) . . . . ?
O1_10 C37_10 C39_10 F8_10 -41.2(18) . . . . ?
O1_10 C37_10 C40_10 F9_10 -43.7(15) . . . . ?
O1_10 C37_10 C40_10 F10_10 -163.2(12) . . . . ?
O1_10 C37_10 C40_10 F11_10 74.5(12) . . . . ?
C38_10 C37_10 C39_10 F6_10 -43.9(17) . . . . ?
C38_10 C37_10 C39_10 F7_10 77.9(13) . . . . ?
C38_10 C37_10 C39_10 F8_10 -160.3(14) . . . . ?
C38_10 C37_10 C40_10 F9_10 72.2(14) . . . . ?
C38_10 C37_10 C40_10 F10_10 -47.4(14) . . . . ?
C38_10 C37_10 C40_10 F11_10 -169.6(10) . . . . ?
C39_10 C37_10 C38_10 F3_10 -162.3(12) . . . . ?
C39_10 C37_10 C38_10 F4_10 75.7(15) . . . . ?
C39_10 C37_10 C38_10 F5_10 -44.3(15) . . . . ?
C39_10 C37_10 C40_10 F9_10 -168.5(12) . . . . ?
C39_10 C37_10 C40_10 F10_10 72.0(13) . . . . ?
C39_10 C37_10 C40_10 F11_10 -50.3(12) . . . . ?
C40_10 C37_10 C38_10 F3_10 -44.5(15) . . . . ?
C40_10 C37_10 C38_10 F4_10 -166.5(13) . . . . ?
C40_10 C37_10 C38_10 F5_10 73.5(14) . . . . ?
C40_10 C37_10 C39_10 F6_10 -165.0(15) . . . . ?
C40_10 C37_10 C39_10 F7_10 -43.2(13) . . . . ?
C40_10 C37_10 C39_10 F8_10 78.6(15) . . . . ?
O1_1 Al1 O1_2 C37_2 -56.8(10) . . . . ?
O1_1 Al1 O1_3 C37_3 -36(3) . . . . ?
O1_1 C37_1 C38_1 F3_1 49.9(14) . . . . ?
O1_1 C37_1 C38_1 F4_1 -73.0(14) . . . . ?
O1_1 C37_1 C38_1 F5_1 169.9(11) . . . . ?
O1_1 C37_1 C39_1 F6_1 37.4(14) . . . . ?
O1_1 C37_1 C39_1 F7_1 157.3(10) . . . . ?
O1_1 C37_1 C39_1 F8_1 -80.0(11) . . . . ?
O1_1 C37_1 C40_1 F9_1 -81.9(14) . . . . ?
O1_1 C37_1 C40_1 F10_1 157.8(13) . . . . ?
O1_1 C37_1 C40_1 F11_1 33.3(14) . . . . ?
C38_1 C37_1 C39_1 F6_1 -78.8(14) . . . . ?
C38_1 C37_1 C39_1 F7_1 41.1(13) . . . . ?
C38_1 C37_1 C39_1 F8_1 163.8(9) . . . . ?
C38_1 C37_1 C40_1 F9_1 39.3(13) . . . . ?
C38_1 C37_1 C40_1 F10_1 -81.0(14) . . . . ?
C38_1 C37_1 C40_1 F11_1 154.6(10) . . . . ?
C39_1 C37_1 C38_1 F3_1 164.3(12) . . . . ?
C39_1 C37_1 C38_1 F4_1 41.3(15) . . . . ?
C39_1 C37_1 C38_1 F5_1 -75.7(13) . . . . ?
C39_1 C37_1 C40_1 F9_1 162.7(11) . . . . ?
C39_1 C37_1 C40_1 F10_1 42.4(15) . . . . ?
C39_1 C37_1 C40_1 F11_1 -82.1(11) . . . . ?
C40_1 C37_1 C38_1 F3_1 -75.2(14) . . . . ?
C40_1 C37_1 C38_1 F4_1 161.9(13) . . . . ?
C40_1 C37_1 C38_1 F5_1 44.9(13) . . . . ?
C40_1 C37_1 C39_1 F6_1 159.1(12) . . . . ?
C40_1 C37_1 C39_1 F7_1 -81.0(11) . . . . ?
C40_1 C37_1 C39_1 F8_1 41.7(11) . . . . ?
O1_11 Al1 O1_2 C37_2 84.0(12) . . . . ?
O1_11 Al1 O1_10 C37_10 137(3) . . . . ?
O1_11 C37_11 C38_11 F3_11 69.3(16) . . . . ?
O1_11 C37_11 C38_11 F4_11 -52.2(16) . . . . ?
O1_11 C37_11 C38_11 F5_11 -170.8(14) . . . . ?
O1_11 C37_11 C39_11 F6_11 76.5(15) . . . . ?
O1_11 C37_11 C39_11 F7_11 -41.5(19) . . . . ?
O1_11 C37_11 C39_11 F8_11 -161.2(16) . . . . ?
O1_11 C37_11 C40_11 F9_11 -38.7(16) . . . . ?
O1_11 C37_11 C40_11 F10_11 -160.3(16) . . . . ?
O1_11 C37_11 C40_11 F11_11 78.2(17) . . . . ?
C38_11 C37_11 C39_11 F6_11 -42.2(14) . . . . ?
C38_11 C37_11 C39_11 F7_11 -160.2(14) . . . . ?
C38_11 C37_11 C39_11 F8_11 80.1(15) . . . . ?
C38_11 C37_11 C40_11 F9_11 77.6(13) . . . . ?
C38_11 C37_11 C40_11 F10_11 -44.0(16) . . . . ?
C38_11 C37_11 C40_11 F11_11 -165.5(14) . . . . ?
C39_11 C37_11 C38_11 F3_11 -168.7(13) . . . . ?
C39_11 C37_11 C38_11 F4_11 69.8(15) . . . . ?
C39_11 C37_11 C38_11 F5_11 -48.8(15) . . . . ?
C39_11 C37_11 C40_11 F9_11 -160.6(11) . . . . ?
C39_11 C37_11 C40_11 F10_11 77.7(15) . . . . ?
C39_11 C37_11 C40_11 F11_11 -43.8(16) . . . . ?
C40_11 C37_11 C38_11 F3_11 -48.9(15) . . . . ?
C40_11 C37_11 C38_11 F4_11 -170.4(13) . . . . ?
C40_11 C37_11 C38_11 F5_11 71.0(14) . . . . ?
C40_11 C37_11 C39_11 F6_11 -163.0(11) . . . . ?
C40_11 C37_11 C39_11 F7_11 78.9(16) . . . . ?
C40_11 C37_11 C39_11 F8_11 -40.7(16) . . . . ?
O1_3 Al1 O1_2 C37_2 78.0(11) . . . . ?
O1_3 Al1 O1_1 C37_1 85(2) . . . . ?
O1_3 C37_3 C38_3 F3_3 78.8(15) . . . . ?
O1_3 C37_3 C38_3 F4_3 -39.9(14) . . . . ?
O1_3 C37_3 C38_3 F5_3 -158.6(12) . . . . ?
O1_3 C37_3 C39_3 F6_3 76.8(13) . . . . ?
O1_3 C37_3 C39_3 F7_3 -42.2(15) . . . . ?
O1_3 C37_3 C39_3 F8_3 -165.4(11) . . . . ?
O1_3 C37_3 C40_3 F9_3 -40.2(15) . . . . ?
O1_3 C37_3 C40_3 F10_3 -162.3(14) . . . . ?
O1_3 C37_3 C40_3 F11_3 78.0(14) . . . . ?
C38_3 C37_3 C39_3 F6_3 -44.7(12) . . . . ?
C38_3 C37_3 C39_3 F7_3 -163.8(12) . . . . ?
C38_3 C37_3 C39_3 F8_3 73.0(12) . . . . ?
C38_3 C37_3 C40_3 F9_3 83.3(12) . . . . ?
C38_3 C37_3 C40_3 F10_3 -38.9(14) . . . . ?
C38_3 C37_3 C40_3 F11_3 -158.5(10) . . . . ?
C39_3 C37_3 C38_3 F3_3 -161.5(12) . . . . ?
C39_3 C37_3 C38_3 F4_3 79.8(11) . . . . ?
C39_3 C37_3 C38_3 F5_3 -38.9(13) . . . . ?
C39_3 C37_3 C40_3 F9_3 -160.6(11) . . . . ?
C39_3 C37_3 C40_3 F10_3 77.3(13) . . . . ?
C39_3 C37_3 C40_3 F11_3 -42.4(12) . . . . ?
C40_3 C37_3 C38_3 F3_3 -46.1(14) . . . . ?
C40_3 C37_3 C38_3 F4_3 -164.8(10) . . . . ?
C40_3 C37_3 C38_3 F5_3 76.5(12) . . . . ?
C40_3 C37_3 C39_3 F6_3 -159.5(10) . . . . ?
C40_3 C37_3 C39_3 F7_3 81.5(13) . . . . ?
C40_3 C37_3 C39_3 F8_3 -41.7(12) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.116
_oxdiff_exptl_absorpt_empirical_full_min 0.410
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: From fluorobenzene and hexane.'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ldpm347
_database_code_depnum_ccdc_archive 'CCDC 2365780'
loop_
_audit_author_name
_audit_author_address
'George F. S. Whitehead'
;University of Manchester
United Kingdom
;
_audit_update_record             
;
2024-06-26 deposited with the CCDC.	2024-11-28 downloaded from the CCDC.
;
_manchester_internal_diff_code   ldpm347
_manchester_internal_coll_client SCC
_manchester_internal_coll_date   09/02/24
_manchester_internal_process_date 20/03/24
_manchester_internal_process_user SCC
_manchester_internal_solution_date 20/03/24
_manchester_internal_solution_user SCC
_manchester_internal_refinement_date 20/03/24
_manchester_internal_refinement_user SCC
_manchester_internal_validation_date 06/06/24
_manchester_internal_validation_user SCC
_manchester_internal_archive_date ?
_manchester_internal_archive_user ?
_refine_special_details          
;
The RESI and SAME commands were applied to all OC(CF3)3 groups to restrain
chemically equivalent bond parameters to be approximately equal.
Nine OC(CF3)3 groups are disordered over 2 orientations, the occupancies 
were allowed to freely refine and linked to FVAR 2 converging at a final 
ratio of 0.56:0.44.
DFIX commands were applied within the anion moieties as appropriate to 
restrain OC(CF3)3 groups to appropriate orientations.
The Al-O distances of the disordered components were restrained to be 
approximately equal.
The 1,2 bond distances of the lattice hexane were restrained to be
approximately 1.5 Angstrom. The 1,3 bond distances were restrained to be 
approximately equal.
The AFIX 66 command was applied to the phenyl moiety of the lattice 
fluorobenzene molecules, the 1,2 C-F distance was restrained to be 
approximately 1.35 Angstrom, the 1,3 C-F distances were restrained to be 
approximately equal, the molecule was set to be flat. The occupancy was set 
to 0.5.
Similarity thermal restraints and enhanced rigid bond restraints were
restrained to be approximately equal.
;
_vrf_PLAT260_ldpm347             
;
PROBLEM: Large Average Ueq of Residue Including C53 0.461 Check
RESPONSE: The hexane solvent molecule resides in a diffuse region of the 
electron density map and so has been refined with large atomic 
displacement parameters. Attempts to model any disorder of this group 
did not produce a satisfactory model.
;
_audit_creation_date             2024-06-06
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        '[Dy(Cp*)(FPh)6][{Al[OC(CF3)3]3}2(F)]'
_chemical_formula_moiety         
'2(C46 H45 Dy F6), 4(Al2 C24 F55 O6), C6 H5 F, 2(C6 H14)'
_chemical_formula_sum            'C206 H123 Al8 Dy2 F233 O24'
_chemical_formula_weight         7949.88
_chemical_melting_point          ?
_chemical_oxdiff_formula         DyAlOCF
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.2130 0.2455 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   18.2139(3)
_cell_length_b                   19.3140(4)
_cell_length_c                   40.1803(6)
_cell_angle_alpha                90
_cell_angle_beta                 94.8490(10)
_cell_angle_gamma                90
_cell_volume                     14084.2(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    41993
_cell_measurement_temperature    99.9(2)
_cell_measurement_theta_max      75.7940
_cell_measurement_theta_min      2.1870
_shelx_estimated_absorpt_T_max   0.638
_shelx_estimated_absorpt_T_min   0.492
_exptl_absorpt_coefficient_mu    5.042
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.715
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.69a (Rigaku Oxford Diffraction, 2020)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.875
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             7768
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-7 -6 17 0.0534
-9 3 -13 0.0761
5 -5 20 0.0618
12 1 2 0.0691
7 6 -18 0.0767
-5 11 -1 0.0701
-5 0 25 0.0531
5 -11 5 0.0542
7 -9 -13 0.0619
-1 9 -17 0.0764
4 0 -25 0.0953
3 12 4 0.0570
3 9 18 0.0428
-3 -10 -12 0.0473
-3 -12 1 0.0393
0 -6 23 0.0620
-2 12 6 0.0557
-2 6 23 0.0489
2 -12 -9 0.0481
-8 -9 0 0.0472
-8 -6 -13 0.0588
8 9 2 0.0575

_exptl_crystal_size_max          0.164
_exptl_crystal_size_mid          0.144
_exptl_crystal_size_min          0.098
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-7.3444 -6.2154 17.1511 0.5788 -0.0017 0.8154
-9.3043 2.5520 -13.4042 0.8351 -0.0024 -0.5500
4.8036 -5.2616 20.2106 -0.4697 0.0014 0.8828
11.6090 1.1557 2.1008 -0.9996 0.0029 0.0273
6.7147 6.3887 -18.0603 -0.5223 0.0015 -0.8528
-5.1788 11.2204 -1.2172 0.3452 -0.7820 -0.5189
-4.6118 0.3443 24.7831 0.2496 -0.5641 0.7871
4.5402 -11.2463 4.8465 -0.3111 0.7049 0.6374
6.5481 -8.6718 -13.2487 -0.4034 0.9132 -0.0580
-1.2932 9.1477 -17.3190 0.1242 -0.2823 -0.9513
4.3490 0.2738 -24.9759 -0.2318 0.5238 -0.8197
3.0128 11.9397 3.7711 -0.3785 -0.8432 -0.3817
2.7200 8.5078 17.6119 -0.3999 -0.8914 0.2131
-2.9747 -10.4074 -12.3626 0.4091 0.9117 0.0377
-2.8719 -12.1564 1.2518 0.3410 0.7594 0.5541
-0.4937 -5.7591 23.1653 -0.0353 -0.0797 0.9962
-1.6005 12.1275 5.8453 -0.0029 -0.9455 -0.3255
-2.0597 5.5187 23.2725 -0.0022 -0.8539 0.5204
1.7753 -11.5972 -9.3801 0.0029 0.9821 0.1883
-7.9172 -9.2778 -0.0976 0.7484 0.5403 0.3847
-8.0495 -6.1555 -12.6142 0.8010 0.5785 -0.1543
8.0775 9.0079 1.8475 -0.7691 -0.5553 -0.3163

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1105
_diffrn_reflns_av_unetI/netI     0.0807
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.972
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       50
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            148391
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.972
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.357
_diffrn_reflns_theta_min         2.207
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.9(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     27.00 126.00   0.50    1.00    --   43.87  50.00-150.00  198
  2  ω    -46.00 -18.00   0.50    1.00    --   43.87  50.00-150.00   56
  3  ω    -25.00   2.00   0.50    1.00    --   46.33  60.00 -90.00   54
  4  ω    -38.00  -8.00   0.50    1.00    --   46.33  40.00  30.00   60
  5  ω      3.00  39.00   0.50    1.00    --   46.33  40.00  30.00   72
  6  ω     51.00 112.00   0.50    1.00    --   46.33  60.00 -90.00  122
  7  ω    -43.00 136.00   0.50    1.00    --   46.33  60.00 -30.00  358
  8  ω     79.00 136.00   0.50    1.00    --   46.33  40.00  30.00  114
  9  ω     67.00 109.00   0.50    2.00    --  108.20  60.00  90.47   84
 10  ω     20.00  52.00   0.50    2.00    --  108.20  60.00-154.72   64
 11  ω    136.00 197.00   0.50    2.00    --  108.20  60.00-118.46  122
 12  ω     19.00  66.00   0.50    2.00    --  108.20  20.00-150.00   94
 13  ω     96.00 198.00   0.50    2.00    --  108.20  20.00-150.00  204
 14  ω     19.00 198.00   0.50    2.00    --  108.20  50.00  60.00  358
 15  ω    139.00 189.00   0.50    2.00    --  108.20  60.00  -5.79  100
 16  ω     39.00  69.00   0.50    2.00    --  108.20  60.00 -51.49   60
 17  ω     19.00 183.00   0.50    2.00    --  108.20  59.00  43.20  328
 18  ω     73.00 125.00   0.50    2.00    --  108.20  60.00-118.46  104
 19  ω     81.00 129.00   0.50    2.00    --  108.20  58.00 -57.84   96
 20  ω    158.00 184.00   0.50    2.00    --  108.20  60.00  90.47   52
 21  ω     20.00  46.00   0.50    2.00    --  108.20  60.00-118.46   52
 22  ω    140.00 165.00   0.50    2.00    --  108.20  60.00 -51.49   50
 23  ω     19.00 130.00   0.50    2.00    --  108.20  60.00  -5.79  222
 24  ω    155.00 197.00   0.50    2.00    --  108.20  60.00-154.72   84
 25  ω     65.00  95.00   0.50    2.00    --  108.20  50.00-180.00   60
 26  ω    126.00 193.00   0.50    2.00    --  108.20  50.00-180.00  134
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC11 (RINC): quarter-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0842480000
_diffrn_orient_matrix_UB_12      -0.0087136000
_diffrn_orient_matrix_UB_13      -0.0054844000
_diffrn_orient_matrix_UB_21      0.0105148000
_diffrn_orient_matrix_UB_22      -0.0669993000
_diffrn_orient_matrix_UB_23      -0.0198744000
_diffrn_orient_matrix_UB_31      0.0006975000
_diffrn_orient_matrix_UB_32      -0.0424019000
_diffrn_orient_matrix_UB_33      0.0324770000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type              'Rigaku (Cu) X-ray DW Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                21765
_reflns_number_total             29078
_reflns_odcompleteness_completeness 99.68
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     68.13
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.305
_refine_diff_density_min         -1.211
_refine_diff_density_rms         0.114
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.113
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3277
_refine_ls_number_reflns         29078
_refine_ls_number_restraints     16088
_refine_ls_R_factor_all          0.1074
_refine_ls_R_factor_gt           0.0910
_refine_ls_restrained_S_all      1.195
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2580
_refine_ls_wR_factor_ref         0.2804
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 F9-C50
 1.35 with sigma of 0.02
 F12_2-F10_5
 -2.8 with sigma of 0.02
 C58-C57 = C57-C56 = C55-C56 = C55-C54 = C53-C54
 1.5 with sigma of 0.02
 F12_5-F12_2
 -2.8 with sigma of 0.02
 F9_1-F14_18
 -2.8 with sigma of 0.02
 F9_1-F15_18
 -2.8 with sigma of 0.02
 F13_6-F10_6
 -2.8 with sigma of 0.02
 F8_16-F10_16
 -2.8 with sigma of 0.02
 F9_18-F13_21
 -2.8 with sigma of 0.02
 F14_18-F11_18
 -2.8 with sigma of 0.02
 F12_2-F11_5
 -2.8 with sigma of 0.02
 C53-C55 \\sim C54-C56 \\sim C57-C55 \\sim C58-C56
 with sigma of 0.02
 Al3-O1_12 \\sim Al3-O1_13 \\sim Al3-O1_9 \\sim Al3-O1_14 \\sim Al4-O1_15 \\sim
Al4-O1_10 \\sim Al4-
 O1_11 \\sim Al4-O1_16 \\sim Al3-O1_7 \\sim Al3-O1_17
 with sigma of 0.02
 F9-C49 \\sim F9-C51
 with sigma of 0.02
3. Restrained planarity
 F9, C47, C48, C49, C50, C51, C52
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08
5. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Same fragment restrains
{F7_3, F8_3, F9_3, F10_3, F11_3, F12_3, F13_3, F14_3, F15_3, O1_3, C47_3,
C48_3, C49_3, C50_3}
{F7_4, F8_4, F9_4, F10_4, F11_4, F12_4, F13_4, F14_4, F15_4, O1_4, C47_4,
C48_4, C49_4, C50_4}
{F7_5, F8_5, F9_5, F10_5, F11_5, F12_5, F13_5, F14_5, F15_5, O1_5, C47_5,
C48_5, C49_5, C50_5}
{F7_6, F8_6, F9_6, F10_6, F11_6, F12_6, F13_6, F14_6, F15_6, O1_6, C47_6,
C48_6, C49_6, C50_6}
{F7_7, F8_7, F9_7, F10_7, F11_7, F12_7, F13_7, F14_7, F15_7, O1_7, C47_7,
C48_7, C49_7, C50_7}
{F7_8, F8_8, F9_8, F10_8, F11_8, F12_8, F13_8, F14_8, F15_8, O1_8, C47_8,
C48_8, C49_8, C50_8}
{F7_9, F8_9, F9_9, F10_9, F11_9, F12_9, F13_9, F14_9, F15_9, O1_9, C47_9,
C48_9, C49_9, C50_9}
{F7_10, F8_10, F9_10, F10_10, F11_10, F12_10, F13_10, F14_10, F15_10, O1_10,
C47_10, C48_10, C49_10, C50_10}
{F7_11, F8_11, F9_11, F10_11, F11_11, F12_11, F13_11, F14_11, F15_11, O1_11,
C47_11, C48_11, C49_11, C50_11}
{F7_12, F8_12, F9_12, F10_12, F11_12, F12_12, F13_12, F14_12, F15_12, O1_12,
C47_12, C48_12, C49_12, C50_12}
{F7_13, F8_13, F9_13, F10_13, F11_13, F12_13, F13_13, F14_13, F15_13, O1_13,
C47_13, C48_13, C49_13, C50_13}
{F7_14, F8_14, F9_14, F10_14, F11_14, F12_14, F13_14, F14_14, F15_14, O1_14,
C47_14, C48_14, C49_14, C50_14}
{F7_15, F8_15, F9_15, F10_15, F11_15, F12_15, F13_15, F14_15, F15_15, O1_15,
C47_15, C48_15, C49_15, C50_15}
{F7_16, F8_16, F9_16, F10_16, F11_16, F12_16, F13_16, F14_16, F15_16, O1_16,
C47_16, C48_16, C49_16, C50_16}
{F7_17, F8_17, F9_17, F10_17, F11_17, F12_17, F13_17, F14_17, F15_17, O1_17,
C47_17, C48_17, C49_17, C50_17}
{F7_18, F8_18, F9_18, F10_18, F11_18, F12_18, F13_18, F14_18, F15_18, O1_18,
C47_18, C48_18, C49_18, C50_18}
{F7_19, F8_19, F9_19, F10_19, F11_19, F12_19, F13_19, F14_19, F15_19, O1_19,
C47_19, C48_19, C49_19, C50_19}
{F7_20, F8_20, F9_20, F10_20, F11_20, F12_20, F13_20, F14_20, F15_20, O1_20,
C47_20, C48_20, C49_20, C50_20}
{F7_21, F8_21, F9_21, F10_21, F11_21, F12_21, F13_21, F14_21, F15_21, O1_21,
C47_21, C48_21, C49_21, C50_21}
{F7_2, F8_2, F9_2, F10_2, F11_2, F12_2, F13_2, F14_2, F15_2, O1_2, C47_2,
C48_2, C49_2, C50_2}
as
{F7_1, F8_1, F9_1, F10_1, F11_1, F12_1, F13_1, F14_1, F15_1, O1_1, C47_1,
C48_1, C49_1, C50_1} sigma for 1-2: 0.02 1-3: 0.04
7. Others
 Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=
 Sof(O1)=Sof(C47)=Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=
 Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=Sof(C48)=
 Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=
 Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=
 Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=
 Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=
 Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=
 Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=
 Sof(C47)=Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=
 Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=Sof(C48)=Sof(C49)=
 Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=
 Sof(F15)=Sof(O1)=Sof(C47)=Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=
 Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=
 Sof(C48)=Sof(C49)=Sof(C50)=1-FVAR(1)
 Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=
 Sof(O1)=Sof(C47)=Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=
 Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=Sof(C48)=
 Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=
 Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=
 Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=
 Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=
 Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=
 Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=
 Sof(C47)=Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=
 Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=Sof(C48)=Sof(C49)=
 Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=
 Sof(F15)=Sof(O1)=Sof(C47)=Sof(C48)=Sof(C49)=Sof(C50)=Sof(F7)=Sof(F8)=Sof(F9)=
 Sof(F10)=Sof(F11)=Sof(F12)=Sof(F13)=Sof(F14)=Sof(F15)=Sof(O1)=Sof(C47)=
 Sof(C48)=Sof(C49)=Sof(C50)=FVAR(1)
 Fixed Sof: F9(0.5) C47(0.5) H47(0.5) C48(0.5) H48(0.5) C49(0.5) H49(0.5)
 C50(0.5) C51(0.5) H51(0.5) C52(0.5) H52(0.5)
8.a Secondary CH2 refined with riding coordinates:
 C54(H54a,H54b), C55(H55a,H55b), C56(H56a,H56b), C57(H57a,H57b)
8.b Me refined with riding coordinates:
 C53(H53a,H53b,H53c), C58(H58a,H58b,H58c)
8.c Aromatic/amide H refined with riding coordinates:
 C12(H12), C13(H13), C14(H14), C15(H15), C16(H16), C18(H18), C19(H19),
 C20(H20), C21(H21), C22(H22), C24(H24), C25(H25), C26(H26), C27(H27), C28(H28),
  C30(H30), C31(H31), C32(H32), C33(H33), C34(H34), C36(H36), C37(H37),
 C38(H38), C39(H39), C40(H40), C42(H42), C43(H43), C44(H44), C45(H45), C46(H46),
  C47(H47), C48(H48), C49(H49), C51(H51), C52(H52)
8.d Fitted hexagon refined as free rotating group:
 C29(C30,C31,C32,C33,C34), C47(C48,C49,C50,C51,C52)
8.e Idealised Me refined as rotating group:
 C6(H6a,H6b,H6c), C7(H7a,H7b,H7c), C8(H8a,H8b,H8c), C9(H9a,H9b,H9c), C10(H10a,
 H10b,H10c)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   diffmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 1.00012(2) 0.83548(2) 0.57688(2) 0.05744(12) Uani 1 1 d . . . . .
Al1 Al -0.07422(8) 0.67122(7) 0.30844(4) 0.0578(3) Uani 1 1 d . U . . .
Al2 Al 0.07201(8) 0.61909(7) 0.26190(4) 0.0626(3) Uani 1 1 d . U . . .
Al3 Al 0.56314(7) 0.75865(8) 0.42072(3) 0.0603(3) Uani 1 1 d D U . . .
Al4 Al 0.40164(7) 0.77315(7) 0.46245(3) 0.0563(3) Uani 1 1 d D U . . .
F1 F 0.9825(2) 0.7677(2) 0.62543(8) 0.0922(10) Uani 1 1 d . U . . .
F2 F 0.99297(18) 0.71657(16) 0.55734(8) 0.0744(7) Uani 1 1 d . U . . .
F3 F 1.1169(2) 0.7805(2) 0.58862(11) 0.0992(11) Uani 1 1 d . U . . .
F4 F 1.0687(3) 0.8967(3) 0.61992(10) 0.1085(13) Uani 1 1 d . U . . .
F5 F 0.9202(2) 0.9107(2) 0.60630(10) 0.0968(11) Uani 1 1 d . U . . .
F6 F 0.87454(17) 0.79504(19) 0.57011(8) 0.0779(8) Uani 1 1 d . U . . .
F7 F 0.00054(15) 0.64622(15) 0.28593(7) 0.0633(6) Uani 1 1 d . U . . .
F8 F 0.48454(14) 0.76798(15) 0.44295(7) 0.0640(6) Uani 1 1 d . U . . .
F9 F 1.1048(13) 0.5674(15) 0.5224(7) 0.298(14) Uani 0.5 1 d D U P A -1
C1 C 0.9536(3) 0.9190(3) 0.53018(14) 0.0747(12) Uani 1 1 d . U . . .
C2 C 0.9694(3) 0.8565(3) 0.51435(13) 0.0666(11) Uani 1 1 d . U . . .
C3 C 1.0464(3) 0.8461(3) 0.51831(13) 0.0651(11) Uani 1 1 d . U . . .
C4 C 1.0795(3) 0.9016(3) 0.53655(13) 0.0698(11) Uani 1 1 d . U . . .
C5 C 1.0206(3) 0.9471(3) 0.54397(14) 0.0740(12) Uani 1 1 d . U . . .
C6 C 0.8796(4) 0.9542(5) 0.5289(2) 0.110(3) Uani 1 1 d . U . . .
H6A H 0.874039 0.977341 0.550218 0.164 Uiso 1 1 calc R U . . .
H6B H 0.840468 0.919608 0.524719 0.164 Uiso 1 1 calc R U . . .
H6C H 0.876039 0.988475 0.510838 0.164 Uiso 1 1 calc R U . . .
C7 C 0.9149(4) 0.8109(5) 0.49305(15) 0.096(2) Uani 1 1 d . U . . .
H7A H 0.867278 0.810735 0.502708 0.144 Uiso 1 1 calc R U . . .
H7B H 0.934052 0.763493 0.492579 0.144 Uiso 1 1 calc R U . . .
H7C H 0.908610 0.829224 0.470250 0.144 Uiso 1 1 calc R U . . .
C8 C 1.0884(4) 0.7883(4) 0.50312(17) 0.0909(18) Uani 1 1 d . U . . .
H8A H 1.056652 0.747466 0.499987 0.136 Uiso 1 1 calc R U . . .
H8B H 1.131994 0.776731 0.518051 0.136 Uiso 1 1 calc R U . . .
H8C H 1.103768 0.803293 0.481462 0.136 Uiso 1 1 calc R U . . .
C9 C 1.1599(4) 0.9131(5) 0.54440(18) 0.0941(19) Uani 1 1 d . U . . .
H9A H 1.180117 0.876192 0.559208 0.141 Uiso 1 1 calc R U . . .
H9B H 1.167874 0.957968 0.555484 0.141 Uiso 1 1 calc R U . . .
H9C H 1.184611 0.912610 0.523663 0.141 Uiso 1 1 calc R U . . .
C10 C 1.0297(6) 1.0178(4) 0.5601(2) 0.110(3) Uani 1 1 d . U . . .
H10A H 1.063043 1.014355 0.580450 0.166 Uiso 1 1 calc R U . . .
H10B H 0.981551 1.034796 0.565713 0.166 Uiso 1 1 calc R U . . .
H10C H 1.050258 1.050027 0.544478 0.166 Uiso 1 1 calc R U . . .
C11 C 0.9982(3) 0.7561(3) 0.65979(13) 0.0729(12) Uani 1 1 d . U . . .
C12 C 1.0624(4) 0.7218(4) 0.66925(16) 0.0860(15) Uani 1 1 d . U . . .
H12 H 1.093638 0.705790 0.653123 0.103 Uiso 1 1 calc R U . . .
C13 C 1.0799(5) 0.7115(5) 0.70224(19) 0.107(2) Uani 1 1 d . U . . .
H13 H 1.123763 0.687442 0.709638 0.128 Uiso 1 1 calc R U . . .
C14 C 1.0355(6) 0.7350(6) 0.7243(2) 0.124(3) Uani 1 1 d . U . . .
H14 H 1.049446 0.728220 0.747380 0.149 Uiso 1 1 calc R U . . .
C15 C 0.9724(7) 0.7677(6) 0.7155(2) 0.129(3) Uani 1 1 d . U . . .
H15 H 0.942227 0.783556 0.732136 0.155 Uiso 1 1 calc R U . . .
C16 C 0.9503(5) 0.7786(5) 0.68086(19) 0.099(2) Uani 1 1 d . U . . .
H16 H 0.905046 0.800179 0.673386 0.119 Uiso 1 1 calc R U . . .
C17 C 0.9536(3) 0.6553(3) 0.56278(15) 0.0706(12) Uani 1 1 d . U . . .
C18 C 0.8925(4) 0.6413(4) 0.54280(18) 0.0889(17) Uani 1 1 d . U . . .
H18 H 0.876008 0.671762 0.525181 0.107 Uiso 1 1 calc R U . . .
C19 C 0.8549(5) 0.5819(4) 0.5486(2) 0.113(3) Uani 1 1 d . U . . .
H19 H 0.810724 0.571264 0.535257 0.135 Uiso 1 1 calc R U . . .
C20 C 0.8802(5) 0.5383(4) 0.5732(3) 0.119(3) Uani 1 1 d . U . . .
H20 H 0.854480 0.496459 0.576696 0.142 Uiso 1 1 calc R U . . .
C21 C 0.9419(5) 0.5537(4) 0.5928(2) 0.116(3) Uani 1 1 d . U . . .
H21 H 0.958260 0.522993 0.610353 0.140 Uiso 1 1 calc R U . . .
C22 C 0.9817(4) 0.6129(3) 0.58802(18) 0.0857(16) Uani 1 1 d . U . . .
H22 H 1.025848 0.623625 0.601358 0.103 Uiso 1 1 calc R U . . .
C23 C 1.1762(3) 0.7337(4) 0.59626(17) 0.0844(15) Uani 1 1 d . U . . .
C24 C 1.1777(5) 0.6754(4) 0.5778(3) 0.103(2) Uani 1 1 d . U . . .
H24 H 1.140620 0.667157 0.560166 0.124 Uiso 1 1 calc R U . . .
C25 C 1.2330(6) 0.6282(6) 0.5847(3) 0.134(3) Uani 1 1 d . U . . .
H25 H 1.236025 0.586828 0.572100 0.161 Uiso 1 1 calc R U . . .
C26 C 1.2871(6) 0.6453(8) 0.6125(4) 0.148(4) Uani 1 1 d . U . . .
H26 H 1.325749 0.613679 0.618738 0.178 Uiso 1 1 calc R U . . .
C27 C 1.2828(5) 0.7042(7) 0.6290(3) 0.134(3) Uani 1 1 d . U . . .
H27 H 1.319789 0.713964 0.646453 0.161 Uiso 1 1 calc R U . . .
C28 C 1.2262(4) 0.7532(6) 0.6220(2) 0.111(2) Uani 1 1 d . U . . .
H28 H 1.223093 0.795499 0.633848 0.134 Uiso 1 1 calc R U . . .
C29 C 1.1194(3) 0.9188(3) 0.64467(10) 0.0893(17) Uani 1 1 d G U . . .
C30 C 1.1813(3) 0.9554(4) 0.63673(12) 0.142(4) Uani 1 1 d G U . . .
H30 H 1.188543 0.964898 0.614040 0.171 Uiso 1 1 calc R U . . .
C31 C 1.2326(4) 0.9780(5) 0.66197(17) 0.176(5) Uani 1 1 d G U . . .
H31 H 1.274878 1.002973 0.656539 0.212 Uiso 1 1 calc R U . . .
C32 C 1.2220(4) 0.9640(5) 0.69516(15) 0.151(4) Uani 1 1 d G U . . .
H32 H 1.257042 0.979477 0.712417 0.182 Uiso 1 1 calc R U . . .
C33 C 1.1601(4) 0.9274(4) 0.70311(10) 0.133(3) Uani 1 1 d G U . . .
H33 H 1.152874 0.917903 0.725796 0.159 Uiso 1 1 calc R U . . .
C34 C 1.1088(3) 0.9048(3) 0.67787(12) 0.112(2) Uani 1 1 d G U . . .
H34 H 1.066535 0.879828 0.683297 0.135 Uiso 1 1 calc R U . . .
C35 C 0.8978(3) 0.9458(3) 0.63466(15) 0.0766(13) Uani 1 1 d . U . . .
C36 C 0.9383(5) 0.9986(4) 0.6475(2) 0.101(2) Uani 1 1 d . U . . .
H36 H 0.981359 1.013164 0.637687 0.121 Uiso 1 1 calc R U . . .
C37 C 0.9159(6) 1.0314(5) 0.6754(3) 0.121(3) Uani 1 1 d . U . . .
H37 H 0.944329 1.068220 0.685493 0.145 Uiso 1 1 calc R U . . .
C38 C 0.8528(6) 1.0108(5) 0.6883(3) 0.134(3) Uani 1 1 d . U . . .
H38 H 0.837115 1.033473 0.707457 0.160 Uiso 1 1 calc R U . . .
C39 C 0.8111(5) 0.9571(5) 0.6738(2) 0.117(3) Uani 1 1 d . U . . .
H39 H 0.766979 0.943227 0.682944 0.141 Uiso 1 1 calc R U . . .
C40 C 0.8338(4) 0.9233(4) 0.64576(19) 0.0895(16) Uani 1 1 d . U . . .
H40 H 0.806135 0.886628 0.635105 0.107 Uiso 1 1 calc R U . . .
C41 C 0.8080(3) 0.7831(3) 0.58614(15) 0.0755(13) Uani 1 1 d . U . . .
C42 C 0.8094(4) 0.7319(4) 0.60842(19) 0.0927(17) Uani 1 1 d . U . . .
H42 H 0.851560 0.703471 0.613080 0.111 Uiso 1 1 calc R U . . .
C43 C 0.7443(5) 0.7225(6) 0.6247(3) 0.120(3) Uani 1 1 d . U . . .
H43 H 0.742223 0.687496 0.641205 0.144 Uiso 1 1 calc R U . . .
C44 C 0.6847(4) 0.7633(6) 0.6167(3) 0.127(3) Uani 1 1 d . U . . .
H44 H 0.641059 0.756519 0.627699 0.153 Uiso 1 1 calc R U . . .
C45 C 0.6868(5) 0.8130(7) 0.5937(3) 0.131(3) Uani 1 1 d . U . . .
H45 H 0.644072 0.840486 0.588617 0.157 Uiso 1 1 calc R U . . .
C46 C 0.7504(4) 0.8261(4) 0.5766(2) 0.100(2) Uani 1 1 d . U . . .
H46 H 0.752682 0.861218 0.560220 0.120 Uiso 1 1 calc R U . . .
C47 C 0.9158(12) 0.467(2) 0.4865(9) 0.197(11) Uani 0.5 1 d G U P A -1
H47 H 0.871923 0.443506 0.478209 0.237 Uiso 0.5 1 calc R U P A -1
C48 C 0.9578(15) 0.4404(17) 0.5142(9) 0.188(11) Uani 0.5 1 d G U P A -1
H48 H 0.942663 0.399419 0.524755 0.226 Uiso 0.5 1 calc R U P A -1
C49 C 1.0219(14) 0.4741(15) 0.5263(7) 0.198(11) Uani 0.5 1 d DG U P A -1
H49 H 1.050653 0.456226 0.545225 0.238 Uiso 0.5 1 calc R U P A -1
C50 C 1.0441(11) 0.5341(14) 0.5108(7) 0.183(9) Uani 0.5 1 d DG U P A -1
C51 C 1.0020(13) 0.5602(16) 0.4832(7) 0.193(10) Uani 0.5 1 d DG U P A -1
H51 H 1.017165 0.601209 0.472604 0.232 Uiso 0.5 1 calc R U P A -1
C52 C 0.9379(12) 0.527(2) 0.4710(7) 0.207(11) Uani 0.5 1 d G U P A -1
H52 H 0.909175 0.544401 0.452132 0.248 Uiso 0.5 1 calc R U P A -1
C53 C 0.420(3) 0.4254(16) 0.3891(12) 0.45(2) Uani 1 1 d D U . . .
H53A H 0.386107 0.394251 0.399541 0.680 Uiso 1 1 calc R U . . .
H53B H 0.459992 0.438993 0.405543 0.680 Uiso 1 1 calc R U . . .
H53C H 0.393012 0.466744 0.380770 0.680 Uiso 1 1 calc R U . . .
C54 C 0.451(3) 0.3890(16) 0.3605(11) 0.49(2) Uani 1 1 d D U . . .
H54A H 0.410635 0.374655 0.343934 0.589 Uiso 1 1 calc R U . . .
H54B H 0.477758 0.346844 0.368760 0.589 Uiso 1 1 calc R U . . .
C55 C 0.5030(19) 0.436(2) 0.3443(9) 0.49(2) Uani 1 1 d D U . . .
H55A H 0.543918 0.409365 0.336016 0.583 Uiso 1 1 calc R U . . .
H55B H 0.524141 0.470753 0.360680 0.583 Uiso 1 1 calc R U . . .
C56 C 0.4599(18) 0.473(2) 0.3151(10) 0.45(2) Uani 1 1 d D U . . .
H56A H 0.422374 0.441962 0.304148 0.543 Uiso 1 1 calc R U . . .
H56B H 0.434376 0.514515 0.323349 0.543 Uiso 1 1 calc R U . . .
C57 C 0.5131(19) 0.495(2) 0.2906(11) 0.42(2) Uani 1 1 d D U . . .
H57A H 0.547078 0.530359 0.301321 0.510 Uiso 1 1 calc R U . . .
H57B H 0.542942 0.454773 0.285063 0.510 Uiso 1 1 calc R U . . .
C58 C 0.478(2) 0.524(3) 0.2597(9) 0.46(2) Uani 1 1 d D U . . .
H58A H 0.515594 0.537488 0.244876 0.686 Uiso 1 1 calc R U . . .
H58B H 0.444976 0.489666 0.248537 0.686 Uiso 1 1 calc R U . . .
H58C H 0.449118 0.565337 0.264813 0.686 Uiso 1 1 calc R U . . .
F7_1 F -0.0835(5) 0.4948(5) 0.1829(3) 0.202(4) Uani 1 1 d D U . . .
F8_1 F 0.0082(7) 0.4663(5) 0.2156(3) 0.236(5) Uani 1 1 d D U . . .
F9_1 F -0.0736(7) 0.5362(7) 0.2269(3) 0.282(7) Uani 1 1 d D U . . .
F10_1 F -0.0584(7) 0.6025(7) 0.14195(18) 0.256(5) Uani 1 1 d D U . . .
F11_1 F -0.1076(6) 0.6345(8) 0.1842(3) 0.245(5) Uani 1 1 d D U . . .
F12_1 F -0.0109(10) 0.6879(6) 0.1696(4) 0.317(9) Uani 1 1 d D U . . .
F13_1 F 0.0392(7) 0.5042(6) 0.1539(2) 0.248(5) Uani 1 1 d D U . . .
F14_1 F 0.0994(8) 0.5960(7) 0.1572(4) 0.320(8) Uani 1 1 d D U . . .
F15_1 F 0.1191(7) 0.5229(10) 0.1953(3) 0.330(9) Uani 1 1 d D U . . .
O1_1 O 0.0316(3) 0.6135(3) 0.22272(11) 0.1065(15) Uani 1 1 d D U . . .
C47_1 C 0.0088(4) 0.5830(4) 0.19414(16) 0.113(2) Uani 1 1 d D U . . .
C48_1 C -0.0358(7) 0.5171(6) 0.2029(3) 0.165(4) Uani 1 1 d D U . . .
C49_1 C -0.0421(7) 0.6274(6) 0.1721(2) 0.168(4) Uani 1 1 d D U . . .
C50_1 C 0.0686(7) 0.5518(7) 0.1753(3) 0.180(4) Uani 1 1 d D U . . .
F7_3 F 0.2675(5) 0.4546(5) 0.2871(3) 0.237(5) Uani 1 1 d D U . . .
F8_3 F 0.1875(7) 0.4443(6) 0.2471(3) 0.253(5) Uani 1 1 d D U . . .
F9_3 F 0.2271(5) 0.5422(5) 0.2571(3) 0.248(6) Uani 1 1 d D U . . .
F10_3 F 0.2102(6) 0.4773(6) 0.3466(3) 0.236(5) Uani 1 1 d D U . . .
F11_3 F 0.1244(6) 0.5505(6) 0.3434(2) 0.216(4) Uani 1 1 d D U . . .
F12_3 F 0.2287(6) 0.5718(6) 0.3219(3) 0.257(6) Uani 1 1 d D U . . .
F13_3 F 0.1548(5) 0.3752(4) 0.3047(3) 0.218(4) Uani 1 1 d D U . . .
F14_3 F 0.0677(5) 0.4290(4) 0.3227(3) 0.189(3) Uani 1 1 d D U . . .
F15_3 F 0.0697(8) 0.4075(4) 0.2707(3) 0.247(5) Uani 1 1 d D U . . .
O1_3 O 0.0985(3) 0.5429(2) 0.27868(15) 0.1019(14) Uani 1 1 d D U . . .
C47_3 C 0.1478(4) 0.4971(3) 0.2939(2) 0.109(2) Uani 1 1 d D U . . .
C48_3 C 0.2121(6) 0.4860(6) 0.2726(3) 0.173(4) Uani 1 1 d D U . . .
C49_3 C 0.1774(6) 0.5242(6) 0.3276(3) 0.153(3) Uani 1 1 d D U . . .
C50_3 C 0.1090(6) 0.4287(4) 0.2981(3) 0.145(3) Uani 1 1 d D U . . .
F7_4 F -0.1676(11) 0.8686(12) 0.2330(7) 0.202(8) Uani 0.404(3) 1 d D U P B 1
F8_4 F -0.0715(10) 0.8579(10) 0.2645(6) 0.167(6) Uani 0.404(3) 1 d D U P B 1
F9_4 F -0.0900(11) 0.7832(15) 0.2262(6) 0.190(9) Uani 0.404(3) 1 d D U P B 1
F10_4 F -0.2343(12) 0.7489(14) 0.2177(3) 0.177(7) Uani 0.404(3) 1 d D U P B 1
F11_4 F -0.2659(9) 0.6960(11) 0.2623(5) 0.145(6) Uani 0.404(3) 1 d D U P B 1
F12_4 F -0.1711(9) 0.6685(8) 0.2391(4) 0.140(5) Uani 0.404(3) 1 d D U P B 1
F13_4 F -0.2687(13) 0.8391(13) 0.2684(6) 0.195(11) Uani 0.404(3) 1 d D U P B 1
F14_4 F -0.2395(12) 0.7811(12) 0.3138(5) 0.151(6) Uani 0.404(3) 1 d D U P B 1
F15_4 F -0.1783(10) 0.8699(10) 0.3027(7) 0.202(8) Uani 0.404(3) 1 d D U P B 1
O1_4 O -0.1166(12) 0.7372(11) 0.2912(4) 0.095(5) Uani 0.404(3) 1 d D U P B 1
C47_4 C -0.1641(7) 0.7715(7) 0.2694(3) 0.088(3) Uani 0.404(3) 1 d D U P B 1
C48_4 C -0.1247(9) 0.8214(9) 0.2473(5) 0.142(5) Uani 0.404(3) 1 d D U P B 1
C49_4 C -0.2116(8) 0.7229(8) 0.2467(4) 0.115(4) Uani 0.404(3) 1 d D U P B 1
C50_4 C -0.2131(9) 0.8158(9) 0.2899(5) 0.127(5) Uani 0.404(3) 1 d D U P B 1
F7_5 F 0.1738(16) 0.8311(13) 0.2214(8) 0.229(11) Uani 0.404(3) 1 d D U P B 1
F8_5 F 0.1349(16) 0.7376(12) 0.2018(5) 0.205(8) Uani 0.404(3) 1 d D U P B 1
F9_5 F 0.0708(12) 0.7925(17) 0.2345(9) 0.209(10) Uani 0.404(3) 1 d D U P B 1
F10_5 F 0.1816(13) 0.7311(13) 0.3169(5) 0.240(9) Uani 0.404(3) 1 d D U P B 1
F11_5 F 0.1352(14) 0.8281(10) 0.2837(6) 0.277(11) Uani 0.404(3) 1 d D U P B 1
F12_5 F 0.2421(15) 0.8088(17) 0.3022(8) 0.258(11) Uani 0.404(3) 1 d D U P B 1
F13_5 F 0.2877(9) 0.7825(9) 0.2515(7) 0.177(7) Uani 0.404(3) 1 d D U P B 1
F14_5 F 0.2896(7) 0.6905(10) 0.2805(5) 0.168(7) Uani 0.404(3) 1 d D U P B 1
F15_5 F 0.2547(11) 0.6861(11) 0.2268(5) 0.153(6) Uani 0.404(3) 1 d D U P B 1
O1_5 O 0.1399(14) 0.6753(11) 0.2631(7) 0.085(5) Uani 0.404(3) 1 d D U P B 1
C47_5 C 0.1740(8) 0.7355(8) 0.2602(4) 0.102(4) Uani 0.404(3) 1 d D U P B 1
C48_5 C 0.1399(12) 0.7765(11) 0.2305(5) 0.169(7) Uani 0.404(3) 1 d D U P B 1
C49_5 C 0.1796(13) 0.7762(11) 0.2925(5) 0.181(7) Uani 0.404(3) 1 d D U P B 1
C50_5 C 0.2550(8) 0.7213(8) 0.2544(5) 0.132(5) Uani 0.404(3) 1 d D U P B 1
F7_6 F -0.2436(11) 0.5272(9) 0.3624(5) 0.173(6) Uani 0.404(3) 1 d D U P B 1
F8_6 F -0.1312(9) 0.5694(10) 0.3780(3) 0.160(5) Uani 0.404(3) 1 d D U P B 1
F9_6 F -0.2100(10) 0.6314(8) 0.3528(6) 0.173(7) Uani 0.404(3) 1 d D U P B 1
F10_6 F -0.2364(10) 0.4484(9) 0.3099(4) 0.169(6) Uani 0.404(3) 1 d D U P B 1
F11_6 F -0.2748(11) 0.5530(14) 0.2955(8) 0.245(10) Uani 0.404(3) 1 d D U P B 1
F12_6 F -0.1993(13) 0.4991(13) 0.2682(4) 0.191(8) Uani 0.404(3) 1 d D U P B 1
F13_6 F -0.1125(11) 0.4503(9) 0.3546(5) 0.187(7) Uani 0.404(3) 1 d D U P B 1
F14_6 F -0.0996(16) 0.4520(12) 0.3027(6) 0.204(8) Uani 0.404(3) 1 d D U P B 1
F15_6 F -0.0398(7) 0.5247(8) 0.3397(5) 0.141(5) Uani 0.404(3) 1 d D U P B 1
O1_6 O -0.1307(8) 0.5987(8) 0.3057(3) 0.080(3) Uani 0.404(3) 1 d D U P B 1
C47_6 C -0.1604(7) 0.5452(7) 0.3214(3) 0.088(3) Uani 0.404(3) 1 d D U P B 1
C48_6 C -0.1901(9) 0.5656(9) 0.3544(4) 0.129(4) Uani 0.404(3) 1 d D U P B 1
C49_6 C -0.2189(9) 0.5095(9) 0.2988(4) 0.146(5) Uani 0.404(3) 1 d D U P B 1
C50_6 C -0.0996(9) 0.4916(9) 0.3290(5) 0.142(5) Uani 0.404(3) 1 d D U P B 1
F7_7 F 0.6994(13) 0.6135(16) 0.5089(6) 0.231(10) Uani 0.404(3) 1 d D U P B 1
F8_7 F 0.6457(14) 0.7069(11) 0.5005(6) 0.163(8) Uani 0.404(3) 1 d D U P B 1
F9_7 F 0.5861(14) 0.6064(14) 0.4984(6) 0.204(8) Uani 0.404(3) 1 d D U P B 1
F10_7 F 0.6893(14) 0.5246(11) 0.4648(5) 0.198(8) Uani 0.404(3) 1 d D U P B 1
F11_7 F 0.6717(15) 0.5605(14) 0.4129(5) 0.195(9) Uani 0.404(3) 1 d D U P B 1
F12_7 F 0.5819(13) 0.5366(15) 0.4432(8) 0.206(9) Uani 0.404(3) 1 d D U P B 1
F13_7 F 0.7799(11) 0.6113(14) 0.4555(7) 0.234(10) Uani 0.404(3) 1 d D U P B 1
F14_7 F 0.7332(11) 0.6699(12) 0.4156(5) 0.160(7) Uani 0.404(3) 1 d D U P B 1
F15_7 F 0.7462(11) 0.7157(13) 0.4664(7) 0.223(10) Uani 0.404(3) 1 d D U P B 1
O1_7 O 0.6032(11) 0.6819(9) 0.4354(6) 0.101(5) Uani 0.404(3) 1 d D U P B 1
C47_7 C 0.6515(8) 0.6386(8) 0.4533(4) 0.113(4) Uani 0.404(3) 1 d D U P B 1
C48_7 C 0.6461(11) 0.6418(11) 0.4907(4) 0.146(5) Uani 0.404(3) 1 d D U P B 1
C49_7 C 0.6491(11) 0.5629(8) 0.4434(5) 0.151(5) Uani 0.404(3) 1 d D U P B 1
C50_7 C 0.7308(9) 0.6623(10) 0.4475(5) 0.144(6) Uani 0.404(3) 1 d D U P B 1
F7_8 F 0.4941(4) 0.8891(5) 0.5693(2) 0.189(4) Uani 1 1 d D U . . .
F8_8 F 0.5546(4) 0.8450(5) 0.5325(3) 0.194(4) Uani 1 1 d D U . . .
F9_8 F 0.4709(5) 0.9126(5) 0.5180(3) 0.231(5) Uani 1 1 d D U . . .
F10_8 F 0.3367(4) 0.8836(4) 0.52618(17) 0.166(3) Uani 1 1 d D U . . .
F11_8 F 0.3564(4) 0.8461(4) 0.57491(14) 0.148(2) Uani 1 1 d D U . . .
F12_8 F 0.3085(3) 0.7833(4) 0.5373(3) 0.205(4) Uani 1 1 d D U . . .
F13_8 F 0.4680(6) 0.7624(5) 0.58925(14) 0.207(4) Uani 1 1 d D U . . .
F14_8 F 0.4153(5) 0.6932(4) 0.5550(3) 0.206(4) Uani 1 1 d D U . . .
F15_8 F 0.5258(4) 0.7233(5) 0.55224(19) 0.188(4) Uani 1 1 d D U . . .
O1_8 O 0.4303(3) 0.7802(3) 0.50310(11) 0.1136(18) Uani 1 1 d D U . . .
C47_8 C 0.4339(3) 0.8041(3) 0.53467(13) 0.0835(14) Uani 1 1 d D U . . .
C48_8 C 0.4880(4) 0.8645(5) 0.5394(2) 0.121(2) Uani 1 1 d D U . . .
C49_8 C 0.3592(4) 0.8295(4) 0.54358(19) 0.105(2) Uani 1 1 d D U . . .
C50_8 C 0.4616(5) 0.7448(4) 0.55781(19) 0.112(2) Uani 1 1 d D U . . .
F7_9 F 0.4692(10) 0.7682(12) 0.2968(3) 0.156(6) Uani 0.404(3) 1 d D U P B 1
F8_9 F 0.4596(12) 0.8383(10) 0.3365(4) 0.145(7) Uani 0.404(3) 1 d D U P B 1
F9_9 F 0.5635(11) 0.8229(10) 0.3189(6) 0.161(6) Uani 0.404(3) 1 d D U P B 1
F10_9 F 0.5641(15) 0.6237(10) 0.3445(8) 0.158(8) Uani 0.404(3) 1 d D U P B 1
F11_9 F 0.5897(18) 0.698(2) 0.3050(5) 0.148(10) Uani 0.404(3) 1 d D U P B 1
F12_9 F 0.6448(11) 0.7033(14) 0.3537(7) 0.138(7) Uani 0.404(3) 1 d D U P B 1
F13_9 F 0.4477(15) 0.6415(13) 0.3228(6) 0.211(9) Uani 0.404(3) 1 d D U P B 1
F14_9 F 0.4622(12) 0.6418(12) 0.3753(6) 0.200(9) Uani 0.404(3) 1 d D U P B 1
F15_9 F 0.3923(9) 0.7175(13) 0.3474(6) 0.178(8) Uani 0.404(3) 1 d D U P B 1
O1_9 O 0.5368(13) 0.7550(14) 0.3804(3) 0.104(6) Uani 0.404(3) 1 d D U P B 1
C47_9 C 0.5200(8) 0.7319(8) 0.3492(3) 0.091(4) Uani 0.404(3) 1 d D U P B 1
C48_9 C 0.5013(10) 0.7903(8) 0.3247(4) 0.115(4) Uani 0.404(3) 1 d D U P B 1
C49_9 C 0.5815(10) 0.6887(11) 0.3370(5) 0.100(5) Uani 0.404(3) 1 d D U P B 1
C50_9 C 0.4536(9) 0.6833(10) 0.3496(5) 0.132(5) Uani 0.404(3) 1 d D U P B 1
F7_10 F 0.1870(9) 0.9111(13) 0.4220(7) 0.212(8) Uani 0.404(3) 1 d D U P B 1
F8_10 F 0.2172(12) 0.8098(13) 0.4180(9) 0.247(12) Uani 0.404(3) 1 d D U P B 1
F9_10 F 0.2372(11) 0.8555(17) 0.4646(5) 0.218(9) Uani 0.404(3) 1 d D U P B 1
F10_10 F 0.2912(16) 1.0047(8) 0.4188(6) 0.207(9) Uani 0.404(3) 1 d D U P B 1
F11_10 F 0.4034(11) 0.9774(13) 0.4368(8) 0.200(9) Uani 0.404(3) 1 d D U P B 1
F12_10 F 0.3258(17) 0.9715(13) 0.4689(5) 0.199(10) Uani 0.404(3) 1 d D U P B 1
F13_10 F 0.2847(19) 0.9296(16) 0.3720(7) 0.227(12) Uani 0.404(3) 1 d D U P B 1
F14_10 F 0.3964(13) 0.8916(15) 0.3834(6) 0.210(8) Uani 0.404(3) 1 d D U P B 1
F15_10 F 0.3045(19) 0.8222(12) 0.3780(6) 0.212(10) Uani 0.404(3) 1 d D U P B 1
O1_10 O 0.3625(10) 0.8402(9) 0.4413(5) 0.091(5) Uani 0.404(3) 1 d D U P B 1
C47_10 C 0.3180(7) 0.8881(7) 0.4265(4) 0.086(4) Uani 0.404(3) 1 d D U P B 1
C48_10 C 0.2379(8) 0.8711(11) 0.4324(5) 0.148(6) Uani 0.404(3) 1 d D U P B 1
C49_10 C 0.3346(11) 0.9612(7) 0.4370(5) 0.130(5) Uani 0.404(3) 1 d D U P B 1
C50_10 C 0.3275(12) 0.8831(10) 0.3889(4) 0.135(5) Uani 0.404(3) 1 d D U P B 1
F7_11 F 0.3718(14) 0.5316(10) 0.4701(8) 0.210(9) Uani 0.404(3) 1 d D U P B 1
F8_11 F 0.4236(15) 0.5790(12) 0.4326(6) 0.225(9) Uani 0.404(3) 1 d D U P B 1
F9_11 F 0.4400(12) 0.6212(11) 0.4799(7) 0.224(9) Uani 0.404(3) 1 d D U P B 1
F10_11 F 0.2335(13) 0.5725(12) 0.4770(6) 0.205(8) Uani 0.404(3) 1 d D U P B 1
F11_11 F 0.2191(15) 0.6833(15) 0.4754(9) 0.239(11) Uani 0.404(3) 1 d D U P B 1
F12_11 F 0.3029(12) 0.6300(12) 0.5067(4) 0.160(6) Uani 0.404(3) 1 d D U P B 1
F13_11 F 0.3552(14) 0.6272(14) 0.4003(6) 0.200(9) Uani 0.404(3) 1 d D U P B 1
F14_11 F 0.2781(9) 0.5555(9) 0.4146(5) 0.155(6) Uani 0.404(3) 1 d D U P B 1
F15_11 F 0.2454(15) 0.6678(14) 0.4049(8) 0.217(11) Uani 0.404(3) 1 d D U P B 1
O1_11 O 0.3524(11) 0.7041(7) 0.4485(6) 0.099(5) Uani 0.404(3) 1 d D U P B 1
C47_11 C 0.3233(8) 0.6406(7) 0.4520(4) 0.106(4) Uani 0.404(3) 1 d D U P B 1
C48_11 C 0.3884(10) 0.5911(10) 0.4601(5) 0.153(6) Uani 0.404(3) 1 d D U P B 1
C49_11 C 0.2678(9) 0.6328(9) 0.4768(5) 0.132(5) Uani 0.404(3) 1 d D U P B 1
C50_11 C 0.2933(10) 0.6219(10) 0.4161(4) 0.147(6) Uani 0.404(3) 1 d D U P B 1
F7_12 F 0.7247(12) 0.9269(15) 0.4797(7) 0.167(8) Uani 0.404(3) 1 d D U P B 1
F8_12 F 0.6089(12) 0.9522(8) 0.4704(7) 0.162(8) Uani 0.404(3) 1 d D U P B 1
F9_12 F 0.6437(12) 0.8505(10) 0.4854(4) 0.151(6) Uani 0.404(3) 1 d D U P B 1
F10_12 F 0.7588(12) 0.9168(11) 0.4056(6) 0.191(8) Uani 0.404(3) 1 d D U P B 1
F11_12 F 0.7250(11) 0.8064(8) 0.4001(5) 0.133(6) Uani 0.404(3) 1 d D U P B 1
F12_12 F 0.7773(12) 0.8456(17) 0.4443(6) 0.212(9) Uani 0.404(3) 1 d D U P B 1
F13_12 F 0.6460(17) 0.9922(9) 0.4096(6) 0.199(8) Uani 0.404(3) 1 d D U P B 1
F14_12 F 0.6175(12) 0.9095(11) 0.3775(4) 0.175(7) Uani 0.404(3) 1 d D U P B 1
F15_12 F 0.5475(11) 0.9343(13) 0.4177(7) 0.244(11) Uani 0.404(3) 1 d D U P B 1
O1_12 O 0.6161(7) 0.8220(7) 0.4351(4) 0.092(4) Uani 0.404(3) 1 d D U P B 1
C47_12 C 0.6567(7) 0.8789(7) 0.4316(3) 0.080(3) Uani 0.404(3) 1 d D U P B 1
C48_12 C 0.6632(10) 0.9049(9) 0.4678(4) 0.117(5) Uani 0.404(3) 1 d D U P B 1
C49_12 C 0.7300(8) 0.8625(9) 0.4187(5) 0.109(5) Uani 0.404(3) 1 d D U P B 1
C50_12 C 0.6136(10) 0.9299(10) 0.4084(5) 0.138(5) Uani 0.404(3) 1 d D U P B 1
F7_13 F 0.7164(10) 0.9568(9) 0.4712(5) 0.179(7) Uani 0.596(3) 1 d D U P B 2
F8_13 F 0.6065(10) 0.9268(12) 0.4766(5) 0.201(8) Uani 0.596(3) 1 d D U P B 2
F9_13 F 0.6947(10) 0.8545(10) 0.4857(4) 0.199(7) Uani 0.596(3) 1 d D U P B 2
F10_13 F 0.7305(9) 0.8382(11) 0.3897(4) 0.192(7) Uani 0.596(3) 1 d D U P B 2
F11_13 F 0.7544(5) 0.8023(5) 0.4428(4) 0.161(5) Uani 0.596(3) 1 d D U P B 2
F12_13 F 0.7889(4) 0.8950(5) 0.4250(3) 0.114(3) Uani 0.596(3) 1 d D U P B 2
F13_13 F 0.6937(4) 1.0002(4) 0.4199(4) 0.137(4) Uani 0.596(3) 1 d D U P B 2
F14_13 F 0.6616(11) 0.9341(9) 0.3788(3) 0.196(6) Uani 0.596(3) 1 d D U P B 2
F15_13 F 0.5813(5) 0.9749(5) 0.4098(4) 0.159(4) Uani 0.596(3) 1 d D U P B 2
O1_13 O 0.6031(4) 0.8397(4) 0.4213(3) 0.078(2) Uani 0.596(3) 1 d D U P B 2
C47_13 C 0.6596(5) 0.8825(5) 0.4299(3) 0.078(3) Uani 0.596(3) 1 d D U P B 2
C48_13 C 0.6717(8) 0.9052(8) 0.4663(3) 0.125(4) Uani 0.596(3) 1 d D U P B 2
C49_13 C 0.7327(6) 0.8514(7) 0.4211(4) 0.113(4) Uani 0.596(3) 1 d D U P B 2
C50_13 C 0.6461(6) 0.9497(5) 0.4097(3) 0.105(3) Uani 0.596(3) 1 d D U P B 2
F7_14 F 0.5167(10) 0.8152(8) 0.3014(2) 0.160(5) Uani 0.596(3) 1 d D U P B 2
F8_14 F 0.4979(9) 0.8581(7) 0.3483(3) 0.157(5) Uani 0.596(3) 1 d D U P B 2
F9_14 F 0.6064(7) 0.8286(6) 0.3390(3) 0.146(4) Uani 0.596(3) 1 d D U P B 2
F10_14 F 0.6069(11) 0.6933(13) 0.3102(4) 0.130(5) Uani 0.596(3) 1 d D U P B 2
F11_14 F 0.6518(7) 0.7229(9) 0.3598(4) 0.127(5) Uani 0.596(3) 1 d D U P B 2
F12_14 F 0.5903(8) 0.6310(7) 0.3524(5) 0.139(5) Uani 0.596(3) 1 d D U P B 2
F13_14 F 0.4594(5) 0.6888(9) 0.3010(2) 0.153(4) Uani 0.596(3) 1 d D U P B 2
F14_14 F 0.4311(8) 0.6538(8) 0.3486(4) 0.182(5) Uani 0.596(3) 1 d D U P B 2
F15_14 F 0.4011(6) 0.7572(9) 0.3313(3) 0.182(6) Uani 0.596(3) 1 d D U P B 2
O1_14 O 0.5184(7) 0.7426(9) 0.3825(2) 0.083(3) Uani 0.596(3) 1 d D U P B 2
C47_14 C 0.5259(6) 0.7384(6) 0.3487(3) 0.087(3) Uani 0.596(3) 1 d D U P B 2
C48_14 C 0.5362(8) 0.8108(6) 0.3335(3) 0.116(3) Uani 0.596(3) 1 d D U P B 2
C49_14 C 0.5933(8) 0.6974(8) 0.3421(4) 0.103(4) Uani 0.596(3) 1 d D U P B 2
C50_14 C 0.4535(6) 0.7097(8) 0.3326(3) 0.121(4) Uani 0.596(3) 1 d D U P B 2
F7_15 F 0.2284(6) 0.9691(7) 0.4184(2) 0.143(4) Uani 0.596(3) 1 d D U P B 2
F8_15 F 0.2174(5) 0.8907(6) 0.4545(3) 0.141(4) Uani 0.596(3) 1 d D U P B 2
F9_15 F 0.2867(8) 0.9729(9) 0.4661(3) 0.160(5) Uani 0.596(3) 1 d D U P B 2
F10_15 F 0.3729(6) 1.0037(4) 0.4132(3) 0.131(3) Uani 0.596(3) 1 d D U P B 2
F11_15 F 0.4418(5) 0.9124(6) 0.4059(3) 0.154(4) Uani 0.596(3) 1 d D U P B 2
F12_15 F 0.4295(7) 0.9532(8) 0.4546(3) 0.172(6) Uani 0.596(3) 1 d D U P B 2
F13_15 F 0.2382(7) 0.8385(7) 0.3937(4) 0.169(5) Uani 0.596(3) 1 d D U P B 2
F14_15 F 0.3134(8) 0.9113(8) 0.3703(3) 0.147(4) Uani 0.596(3) 1 d D U P B 2
F15_15 F 0.3515(7) 0.8132(6) 0.3873(3) 0.137(4) Uani 0.596(3) 1 d D U P B 2
O1_15 O 0.3499(6) 0.8421(6) 0.4504(3) 0.072(2) Uani 0.596(3) 1 d D U P B 2
C47_15 C 0.3304(5) 0.8935(4) 0.4286(2) 0.066(2) Uani 0.596(3) 1 d D U P B 2
C48_15 C 0.2646(6) 0.9303(6) 0.4408(3) 0.105(3) Uani 0.596(3) 1 d D U P B 2
C49_15 C 0.3937(6) 0.9430(6) 0.4253(3) 0.109(3) Uani 0.596(3) 1 d D U P B 2
C50_15 C 0.3061(7) 0.8637(7) 0.3939(3) 0.110(3) Uani 0.596(3) 1 d D U P B 2
F7_16 F 0.3481(10) 0.5835(8) 0.4064(5) 0.207(7) Uani 0.596(3) 1 d D U P B 2
F8_16 F 0.2301(9) 0.5943(11) 0.4088(4) 0.209(7) Uani 0.596(3) 1 d D U P B 2
F9_16 F 0.2853(12) 0.6780(9) 0.3948(4) 0.190(7) Uani 0.596(3) 1 d D U P B 2
F10_16 F 0.2850(6) 0.5360(4) 0.4700(4) 0.173(5) Uani 0.596(3) 1 d D U P B 2
F11_16 F 0.3539(11) 0.6028(7) 0.5044(3) 0.194(6) Uani 0.596(3) 1 d D U P B 2
F12_16 F 0.3941(5) 0.5559(6) 0.4637(4) 0.163(4) Uani 0.596(3) 1 d D U P B 2
F13_16 F 0.2192(5) 0.7323(4) 0.4471(4) 0.191(6) Uani 0.596(3) 1 d D U P B 2
F14_16 F 0.1862(4) 0.6329(5) 0.4579(3) 0.141(4) Uani 0.596(3) 1 d D U P B 2
F15_16 F 0.2492(8) 0.6943(13) 0.4948(4) 0.256(8) Uani 0.596(3) 1 d D U P B 2
O1_16 O 0.3668(7) 0.6936(5) 0.4563(5) 0.101(4) Uani 0.596(3) 1 d D U P B 2
C47_16 C 0.3108(5) 0.6471(5) 0.4515(3) 0.083(2) Uani 0.596(3) 1 d D U P B 2
C48_16 C 0.2974(8) 0.6257(8) 0.4150(3) 0.136(4) Uani 0.596(3) 1 d D U P B 2
C49_16 C 0.3340(6) 0.5854(5) 0.4731(3) 0.121(3) Uani 0.596(3) 1 d D U P B 2
C50_16 C 0.2406(5) 0.6761(6) 0.4638(3) 0.114(3) Uani 0.596(3) 1 d D U P B 2
F7_17 F 0.6430(10) 0.6023(8) 0.5101(3) 0.173(6) Uani 0.596(3) 1 d D U P B 2
F8_17 F 0.6202(9) 0.7103(7) 0.4998(5) 0.149(5) Uani 0.596(3) 1 d D U P B 2
F9_17 F 0.5324(5) 0.6372(5) 0.4873(2) 0.126(3) Uani 0.596(3) 1 d D U P B 2
F10_17 F 0.5866(9) 0.5286(9) 0.4599(5) 0.195(8) Uani 0.596(3) 1 d D U P B 2
F11_17 F 0.6250(9) 0.5603(9) 0.4092(4) 0.172(5) Uani 0.596(3) 1 d D U P B 2
F12_17 F 0.5250(5) 0.5985(6) 0.4278(3) 0.156(4) Uani 0.596(3) 1 d D U P B 2
F13_17 F 0.7333(6) 0.5618(5) 0.4622(4) 0.148(4) Uani 0.596(3) 1 d D U P B 2
F14_17 F 0.7412(6) 0.6387(6) 0.4259(3) 0.132(4) Uani 0.596(3) 1 d D U P B 2
F15_17 F 0.7502(7) 0.6686(6) 0.4789(3) 0.161(4) Uani 0.596(3) 1 d D U P B 2
O1_17 O 0.6196(7) 0.7007(6) 0.4385(5) 0.096(4) Uani 0.596(3) 1 d D U P B 2
C47_17 C 0.6335(5) 0.6395(5) 0.4543(3) 0.092(3) Uani 0.596(3) 1 d D U P B 2
C48_17 C 0.6065(7) 0.6452(8) 0.4893(3) 0.130(4) Uani 0.596(3) 1 d D U P B 2
C49_17 C 0.5921(7) 0.5790(7) 0.4370(4) 0.139(4) Uani 0.596(3) 1 d D U P B 2
C50_17 C 0.7152(6) 0.6271(6) 0.4549(3) 0.121(3) Uani 0.596(3) 1 d D U P B 2
F7_18 F -0.1604(8) 0.5119(8) 0.3723(3) 0.170(4) Uani 0.596(3) 1 d D U P B 2
F8_18 F -0.1618(11) 0.4300(5) 0.3337(4) 0.191(5) Uani 0.596(3) 1 d D U P B 2
F9_18 F -0.0648(8) 0.4843(10) 0.3466(4) 0.193(6) Uani 0.596(3) 1 d D U P B 2
F10_18 F -0.2473(7) 0.6086(8) 0.3423(4) 0.184(5) Uani 0.596(3) 1 d D U P B 2
F11_18 F -0.2800(9) 0.5881(11) 0.2946(4) 0.233(8) Uani 0.596(3) 1 d D U P B 2
F12_18 F -0.2770(7) 0.5065(9) 0.3280(7) 0.249(8) Uani 0.596(3) 1 d D U P B 2
F13_18 F -0.1948(12) 0.4637(8) 0.2733(5) 0.228(8) Uani 0.596(3) 1 d D U P B 2
F14_18 F -0.1686(8) 0.5642(6) 0.2607(3) 0.222(7) Uani 0.596(3) 1 d D U P B 2
F15_18 F -0.0890(10) 0.4764(8) 0.2862(3) 0.223(8) Uani 0.596(3) 1 d D U P B 2
O1_18 O -0.1162(6) 0.5996(5) 0.3182(3) 0.087(3) Uani 0.596(3) 1 d D U P B 2
C47_18 C -0.1613(5) 0.5447(5) 0.3163(3) 0.082(2) Uani 0.596(3) 1 d D U P B 2
C48_18 C -0.1356(8) 0.4945(7) 0.3443(3) 0.136(4) Uani 0.596(3) 1 d D U P B 2
C49_18 C -0.2405(6) 0.5614(7) 0.3197(4) 0.142(4) Uani 0.596(3) 1 d D U P B 2
C50_18 C -0.1473(8) 0.5137(7) 0.2816(3) 0.131(4) Uani 0.596(3) 1 d D U P B 2
F7_19 F 0.1536(8) 0.8546(5) 0.2496(5) 0.169(5) Uani 0.596(3) 1 d D U P B 2
F8_19 F 0.1404(16) 0.7795(10) 0.2107(4) 0.246(8) Uani 0.596(3) 1 d D U P B 2
F9_19 F 0.0636(7) 0.7857(10) 0.2494(6) 0.195(8) Uani 0.596(3) 1 d D U P B 2
F10_19 F 0.1817(12) 0.8077(10) 0.3101(4) 0.221(7) Uani 0.596(3) 1 d D U P B 2
F11_19 F 0.2741(8) 0.8090(10) 0.2782(5) 0.205(7) Uani 0.596(3) 1 d D U P B 2
F12_19 F 0.2449(8) 0.7248(8) 0.3121(4) 0.191(6) Uani 0.596(3) 1 d D U P B 2
F13_19 F 0.2612(9) 0.7589(9) 0.2180(4) 0.209(6) Uani 0.596(3) 1 d D U P B 2
F14_19 F 0.2888(9) 0.6778(10) 0.2531(6) 0.225(7) Uani 0.596(3) 1 d D U P B 2
F15_19 F 0.2047(10) 0.6629(9) 0.2147(5) 0.237(9) Uani 0.596(3) 1 d D U P B 2
O1_19 O 0.1327(10) 0.6858(8) 0.2685(5) 0.093(4) Uani 0.596(3) 1 d D U P B 2
C47_19 C 0.1781(6) 0.7355(6) 0.2607(3) 0.106(3) Uani 0.596(3) 1 d D U P B 2
C48_19 C 0.1316(8) 0.7940(6) 0.2434(4) 0.135(4) Uani 0.596(3) 1 d D U P B 2
C49_19 C 0.2202(8) 0.7699(8) 0.2901(4) 0.147(4) Uani 0.596(3) 1 d D U P B 2
C50_19 C 0.2323(8) 0.7095(8) 0.2359(4) 0.164(5) Uani 0.596(3) 1 d D U P B 2
F7_20 F -0.1464(9) 0.9032(6) 0.2619(5) 0.194(6) Uani 0.596(3) 1 d D U P B 2
F8_20 F -0.1231(11) 0.8624(9) 0.3130(4) 0.221(7) Uani 0.596(3) 1 d D U P B 2
F9_20 F -0.0492(7) 0.8385(8) 0.2766(5) 0.190(6) Uani 0.596(3) 1 d D U P B 2
F10_20 F -0.2307(9) 0.8202(10) 0.2224(4) 0.209(7) Uani 0.596(3) 1 d D U P B 2
F11_20 F -0.1920(9) 0.7178(8) 0.2225(4) 0.174(5) Uani 0.596(3) 1 d D U P B 2
F12_20 F -0.1142(10) 0.8052(12) 0.2201(4) 0.210(8) Uani 0.596(3) 1 d D U P B 2
F13_20 F -0.2676(10) 0.8413(9) 0.2865(5) 0.201(7) Uani 0.596(3) 1 d D U P B 2
F14_20 F -0.2781(9) 0.7385(10) 0.2693(5) 0.203(7) Uani 0.596(3) 1 d D U P B 2
F15_20 F -0.2224(8) 0.7576(9) 0.3178(4) 0.148(5) Uani 0.596(3) 1 d D U P B 2
O1_20 O -0.1182(10) 0.7269(8) 0.2802(3) 0.103(4) Uani 0.596(3) 1 d D U P B 2
C47_20 C -0.1599(6) 0.7826(6) 0.2706(3) 0.094(3) Uani 0.596(3) 1 d D U P B 2
C48_20 C -0.1192(8) 0.8512(7) 0.2792(4) 0.154(5) Uani 0.596(3) 1 d D U P B 2
C49_20 C -0.1742(8) 0.7811(8) 0.2328(3) 0.146(4) Uani 0.596(3) 1 d D U P B 2
C50_20 C -0.2320(7) 0.7812(8) 0.2870(4) 0.136(4) Uani 0.596(3) 1 d D U P B 2
F7_21 F 0.0491(10) 0.6802(11) 0.4218(4) 0.196(6) Uani 0.596(3) 1 d D U P B 2
F8_21 F 0.0459(10) 0.6269(7) 0.3757(5) 0.205(6) Uani 0.596(3) 1 d D U P B 2
F9_21 F 0.1064(7) 0.7220(11) 0.3816(5) 0.218(8) Uani 0.596(3) 1 d D U P B 2
F10_21 F 0.0226(12) 0.8117(9) 0.4133(3) 0.222(7) Uani 0.596(3) 1 d D U P B 2
F11_21 F 0.0275(11) 0.8302(6) 0.3607(4) 0.193(6) Uani 0.596(3) 1 d D U P B 2
F12_21 F -0.0760(11) 0.8352(9) 0.3816(7) 0.258(9) Uani 0.596(3) 1 d D U P B 2
F13_21 F -0.0792(9) 0.6312(6) 0.3973(3) 0.181(5) Uani 0.596(3) 1 d D U P B 2
F14_21 F -0.0869(9) 0.7280(9) 0.4237(2) 0.196(6) Uani 0.596(3) 1 d D U P B 2
F15_21 F -0.1508(6) 0.7149(10) 0.3777(3) 0.176(6) Uani 0.596(3) 1 d D U P B 2
O1_21 O -0.0364(6) 0.7156(5) 0.3422(2) 0.084(2) Uani 0.596(3) 1 d D U P B 2
C47_21 C -0.0228(6) 0.7271(5) 0.3752(3) 0.087(3) Uani 0.596(3) 1 d D U P B 2
C48_21 C 0.0468(7) 0.6897(8) 0.3899(4) 0.143(4) Uani 0.596(3) 1 d D U P B 2
C49_21 C -0.0123(9) 0.8025(6) 0.3837(3) 0.146(4) Uani 0.596(3) 1 d D U P B 2
C50_21 C -0.0877(7) 0.7011(8) 0.3944(3) 0.135(4) Uani 0.596(3) 1 d D U P B 2
F7_2 F 0.0539(12) 0.7251(10) 0.4245(4) 0.159(7) Uani 0.404(3) 1 d D U P B 1
F8_2 F -0.0505(10) 0.6745(10) 0.4183(4) 0.147(5) Uani 0.404(3) 1 d D U P B 1
F9_2 F 0.0438(9) 0.6294(7) 0.3990(3) 0.116(4) Uani 0.404(3) 1 d D U P B 1
F10_2 F 0.0816(10) 0.8146(9) 0.3764(5) 0.159(6) Uani 0.404(3) 1 d D U P B 1
F11_2 F 0.1129(8) 0.7138(11) 0.3601(6) 0.172(7) Uani 0.404(3) 1 d D U P B 1
F12_2 F 0.0434(7) 0.7843(6) 0.3282(3) 0.124(4) Uani 0.404(3) 1 d D U P B 1
F13_2 F -0.0500(13) 0.8143(11) 0.4080(4) 0.183(8) Uani 0.404(3) 1 d D U P B 1
F14_2 F -0.0638(11) 0.8350(6) 0.3547(4) 0.149(6) Uani 0.404(3) 1 d D U P B 1
F15_2 F -0.1308(8) 0.7638(10) 0.3792(5) 0.153(6) Uani 0.404(3) 1 d D U P B 1
O1_2 O -0.0377(8) 0.6837(6) 0.3479(3) 0.067(3) Uani 0.404(3) 1 d D U P B 1
C47_2 C -0.0092(6) 0.7284(6) 0.3714(3) 0.073(3) Uani 0.404(3) 1 d D U P B 1
C48_2 C 0.0122(9) 0.6882(8) 0.4035(3) 0.114(4) Uani 0.404(3) 1 d D U P B 1
C49_2 C 0.0596(7) 0.7615(8) 0.3590(4) 0.114(4) Uani 0.404(3) 1 d D U P B 1
C50_2 C -0.0636(8) 0.7848(7) 0.3778(4) 0.113(4) Uani 0.404(3) 1 d D U P B 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 F1 2.393(3) . ?
Dy1 F2 2.427(3) . ?
Dy1 F3 2.389(4) . ?
Dy1 F4 2.363(4) . ?
Dy1 F5 2.432(4) . ?
Dy1 F6 2.410(3) . ?
Dy1 C1 2.563(5) . ?
Dy1 C2 2.560(5) . ?
Dy1 C3 2.574(5) . ?
Dy1 C4 2.597(5) . ?
Dy1 C5 2.573(5) . ?
Al1 F7 1.764(3) . ?
Al1 O1_4 1.616(15) . ?
Al1 O1_6 1.736(12) . ?
Al1 O1_18 1.645(9) . ?
Al1 O1_20 1.712(11) . ?
Al1 O1_21 1.701(8) . ?
Al1 O1_2 1.683(10) . ?
Al2 F7 1.765(3) . ?
Al2 O1_1 1.684(5) . ?
Al2 O1_3 1.673(5) . ?
Al2 O1_5 1.643(17) . ?
Al2 O1_19 1.705(12) . ?
Al3 F8 1.760(3) . ?
Al3 O1_7 1.733(11) . ?
Al3 O1_9 1.651(11) . ?
Al3 O1_12 1.633(10) . ?
Al3 O1_13 1.725(7) . ?
Al3 O1_14 1.704(8) . ?
Al3 O1_17 1.641(7) . ?
Al4 F8 1.762(3) . ?
Al4 O1_8 1.678(5) . ?
Al4 O1_10 1.674(10) . ?
Al4 O1_11 1.677(11) . ?
Al4 O1_15 1.680(7) . ?
Al4 O1_16 1.672(8) . ?
F1 C11 1.404(6) . ?
F2 C17 1.410(6) . ?
F3 C23 1.422(7) . ?
F4 C29 1.367(5) . ?
F5 C35 1.416(7) . ?
F6 C41 1.438(6) . ?
F9 C50 1.331(18) . ?
C1 C2 1.405(9) . ?
C1 C5 1.406(9) . ?
C1 C6 1.507(8) . ?
C2 C3 1.413(8) . ?
C2 C7 1.532(8) . ?
C3 C4 1.406(8) . ?
C3 C8 1.511(9) . ?
C4 C5 1.437(8) . ?
C4 C9 1.488(8) . ?
C5 C10 1.514(9) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.370(10) . ?
C11 C16 1.337(10) . ?
C12 H12 0.9500 . ?
C12 C13 1.352(10) . ?
C13 H13 0.9500 . ?
C13 C14 1.329(14) . ?
C14 H14 0.9500 . ?
C14 C15 1.333(15) . ?
C15 H15 0.9500 . ?
C15 C16 1.432(12) . ?
C16 H16 0.9500 . ?
C17 C18 1.343(9) . ?
C17 C22 1.368(9) . ?
C18 H18 0.9500 . ?
C18 C19 1.367(10) . ?
C19 H19 0.9500 . ?
C19 C20 1.350(12) . ?
C20 H20 0.9500 . ?
C20 C21 1.352(12) . ?
C21 H21 0.9500 . ?
C21 C22 1.375(10) . ?
C22 H22 0.9500 . ?
C23 C24 1.350(12) . ?
C23 C28 1.371(11) . ?
C24 H24 0.9500 . ?
C24 C25 1.368(13) . ?
C25 H25 0.9500 . ?
C25 C26 1.46(2) . ?
C26 H26 0.9500 . ?
C26 C27 1.322(19) . ?
C27 H27 0.9500 . ?
C27 C28 1.411(14) . ?
C28 H28 0.9500 . ?
C29 C30 1.3900 . ?
C29 C34 1.3900 . ?
C30 H30 0.9500 . ?
C30 C31 1.3900 . ?
C31 H31 0.9500 . ?
C31 C32 1.3900 . ?
C32 H32 0.9500 . ?
C32 C33 1.3900 . ?
C33 H33 0.9500 . ?
C33 C34 1.3900 . ?
C34 H34 0.9500 . ?
C35 C36 1.337(10) . ?
C35 C40 1.353(9) . ?
C36 H36 0.9500 . ?
C36 C37 1.378(11) . ?
C37 H37 0.9500 . ?
C37 C38 1.361(13) . ?
C38 H38 0.9500 . ?
C38 C39 1.385(14) . ?
C39 H39 0.9500 . ?
C39 C40 1.395(11) . ?
C40 H40 0.9500 . ?
C41 C42 1.333(10) . ?
C41 C46 1.367(10) . ?
C42 H42 0.9500 . ?
C42 C43 1.413(11) . ?
C43 H43 0.9500 . ?
C43 C44 1.358(14) . ?
C44 H44 0.9500 . ?
C44 C45 1.334(15) . ?
C45 H45 0.9500 . ?
C45 C46 1.419(14) . ?
C46 H46 0.9500 . ?
C47 H47 0.9500 . ?
C47 C48 1.3900 . ?
C47 C52 1.3900 . ?
C48 H48 0.9500 . ?
C48 C49 1.3900 . ?
C49 H49 0.9500 . ?
C49 C50 1.3900 . ?
C50 C51 1.3900 . ?
C51 H51 0.9500 . ?
C51 C52 1.3900 . ?
C52 H52 0.9500 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C53 C54 1.50(2) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C54 C55 1.51(2) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C55 C56 1.53(2) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C56 C57 1.50(2) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C57 C58 1.462(19) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
F7_1 C48_1 1.212(11) . ?
F8_1 C48_1 1.339(12) . ?
F9_1 C48_1 1.284(12) . ?
F10_1 C49_1 1.312(10) . ?
F11_1 C49_1 1.333(12) . ?
F12_1 C49_1 1.308(12) . ?
F13_1 C50_1 1.339(12) . ?
F14_1 C50_1 1.283(12) . ?
F15_1 C50_1 1.295(12) . ?
O1_1 C47_1 1.326(7) . ?
C47_1 C48_1 1.566(11) . ?
C47_1 C49_1 1.498(11) . ?
C47_1 C50_1 1.503(10) . ?
F7_3 C48_3 1.274(11) . ?
F8_3 C48_3 1.350(12) . ?
F9_3 C48_3 1.292(11) . ?
F10_3 C49_3 1.297(10) . ?
F11_3 C49_3 1.302(11) . ?
F12_3 C49_3 1.344(11) . ?
F13_3 C50_3 1.341(10) . ?
F14_3 C50_3 1.290(11) . ?
F15_3 C50_3 1.325(11) . ?
O1_3 C47_3 1.367(8) . ?
C47_3 C48_3 1.523(10) . ?
C47_3 C49_3 1.511(11) . ?
C47_3 C50_3 1.515(10) . ?
F7_4 C48_4 1.302(14) . ?
F8_4 C48_4 1.342(14) . ?
F9_4 C48_4 1.322(14) . ?
F10_4 C49_4 1.301(13) . ?
F11_4 C49_4 1.322(14) . ?
F12_4 C49_4 1.333(14) . ?
F13_4 C50_4 1.353(14) . ?
F14_4 C50_4 1.297(14) . ?
F15_4 C50_4 1.305(14) . ?
O1_4 C47_4 1.352(12) . ?
C47_4 C48_4 1.530(13) . ?
C47_4 C49_4 1.525(13) . ?
C47_4 C50_4 1.527(13) . ?
F7_5 C48_5 1.289(14) . ?
F8_5 C48_5 1.371(15) . ?
F9_5 C48_5 1.318(14) . ?
F10_5 C49_5 1.311(14) . ?
F11_5 C49_5 1.317(14) . ?
F12_5 C49_5 1.328(15) . ?
F13_5 C50_5 1.334(14) . ?
F14_5 C50_5 1.319(14) . ?
F15_5 C50_5 1.301(14) . ?
O1_5 C47_5 1.329(12) . ?
C47_5 C48_5 1.521(13) . ?
C47_5 C49_5 1.516(13) . ?
C47_5 C50_5 1.537(13) . ?
F7_6 C48_6 1.288(13) . ?
F8_6 C48_6 1.371(14) . ?
F9_6 C48_6 1.320(14) . ?
F10_6 C49_6 1.310(14) . ?
F11_6 C49_6 1.318(14) . ?
F12_6 C49_6 1.322(14) . ?
F13_6 C50_6 1.339(14) . ?
F14_6 C50_6 1.304(14) . ?
F15_6 C50_6 1.303(14) . ?
O1_6 C47_6 1.349(12) . ?
C47_6 C48_6 1.526(13) . ?
C47_6 C49_6 1.509(13) . ?
C47_6 C50_6 1.527(13) . ?
F7_7 C48_7 1.287(14) . ?
F8_7 C48_7 1.317(14) . ?
F9_7 C48_7 1.347(14) . ?
F10_7 C49_7 1.309(14) . ?
F11_7 C49_7 1.325(14) . ?
F12_7 C49_7 1.325(14) . ?
F13_7 C50_7 1.351(14) . ?
F14_7 C50_7 1.295(14) . ?
F15_7 C50_7 1.298(14) . ?
O1_7 C47_7 1.372(12) . ?
C47_7 C48_7 1.516(13) . ?
C47_7 C49_7 1.516(13) . ?
C47_7 C50_7 1.553(13) . ?
F7_8 C48_8 1.289(10) . ?
F8_8 C48_8 1.322(10) . ?
F9_8 C48_8 1.286(10) . ?
F10_8 C49_8 1.304(9) . ?
F11_8 C49_8 1.304(8) . ?
F12_8 C49_8 1.293(9) . ?
F13_8 C50_8 1.304(9) . ?
F14_8 C50_8 1.304(10) . ?
F15_8 C50_8 1.279(9) . ?
O1_8 C47_8 1.347(7) . ?
C47_8 C48_8 1.528(10) . ?
C47_8 C49_8 1.517(8) . ?
C47_8 C50_8 1.534(9) . ?
F7_9 C48_9 1.291(13) . ?
F8_9 C48_9 1.313(13) . ?
F9_9 C48_9 1.335(14) . ?
F10_9 C49_9 1.334(14) . ?
F11_9 C49_9 1.321(14) . ?
F12_9 C49_9 1.314(13) . ?
F13_9 C50_9 1.345(14) . ?
F14_9 C50_9 1.306(14) . ?
F15_9 C50_9 1.295(14) . ?
O1_9 C47_9 1.344(12) . ?
C47_9 C48_9 1.516(13) . ?
C47_9 C49_9 1.511(13) . ?
C47_9 C50_9 1.532(13) . ?
F7_10 C48_10 1.251(14) . ?
F8_10 C48_10 1.355(15) . ?
F9_10 C48_10 1.331(14) . ?
F10_10 C49_10 1.329(14) . ?
F11_10 C49_10 1.293(14) . ?
F12_10 C49_10 1.320(14) . ?
F13_10 C50_10 1.336(14) . ?
F14_10 C50_10 1.302(14) . ?
F15_10 C50_10 1.311(14) . ?
O1_10 C47_10 1.337(12) . ?
C47_10 C48_10 1.534(13) . ?
C47_10 C49_10 1.496(13) . ?
C47_10 C50_10 1.539(13) . ?
F7_11 C48_11 1.261(14) . ?
F8_11 C48_11 1.346(15) . ?
F9_11 C48_11 1.316(15) . ?
F10_11 C49_11 1.322(14) . ?
F11_11 C49_11 1.317(14) . ?
F12_11 C49_11 1.313(14) . ?
F13_11 C50_11 1.345(14) . ?
F14_11 C50_11 1.312(14) . ?
F15_11 C50_11 1.297(14) . ?
O1_11 C47_11 1.348(12) . ?
C47_11 C48_11 1.536(13) . ?
C47_11 C49_11 1.487(13) . ?
C47_11 C50_11 1.540(13) . ?
F7_12 C48_12 1.256(13) . ?
F8_12 C48_12 1.357(14) . ?
F9_12 C48_12 1.331(14) . ?
F10_12 C49_12 1.302(14) . ?
F11_12 C49_12 1.315(14) . ?
F12_12 C49_12 1.325(14) . ?
F13_12 C50_12 1.339(14) . ?
F14_12 C50_12 1.312(14) . ?
F15_12 C50_12 1.293(14) . ?
O1_12 C47_12 1.337(12) . ?
C47_12 C48_12 1.532(12) . ?
C47_12 C49_12 1.507(12) . ?
C47_12 C50_12 1.527(13) . ?
F7_13 C48_13 1.291(12) . ?
F8_13 C48_13 1.355(13) . ?
F9_13 C48_13 1.298(13) . ?
F10_13 C49_13 1.283(13) . ?
F11_13 C49_13 1.327(13) . ?
F12_13 C49_13 1.325(12) . ?
F13_13 C50_13 1.345(11) . ?
F14_13 C50_13 1.331(13) . ?
F15_13 C50_13 1.277(12) . ?
O1_13 C47_13 1.342(10) . ?
C47_13 C48_13 1.525(11) . ?
C47_13 C49_13 1.531(11) . ?
C47_13 C50_13 1.540(11) . ?
F7_14 C48_14 1.312(11) . ?
F8_14 C48_14 1.319(12) . ?
F9_14 C48_14 1.325(13) . ?
F10_14 C49_14 1.329(12) . ?
F11_14 C49_14 1.324(12) . ?
F12_14 C49_14 1.350(13) . ?
F13_14 C50_14 1.344(11) . ?
F14_14 C50_14 1.337(13) . ?
F15_14 C50_14 1.322(12) . ?
O1_14 C47_14 1.381(10) . ?
C47_14 C48_14 1.543(12) . ?
C47_14 C49_14 1.501(11) . ?
C47_14 C50_14 1.523(11) . ?
F7_15 C48_15 1.307(10) . ?
F8_15 C48_15 1.306(12) . ?
F9_15 C48_15 1.344(13) . ?
F10_15 C49_15 1.311(12) . ?
F11_15 C49_15 1.356(12) . ?
F12_15 C49_15 1.312(12) . ?
F13_15 C50_15 1.328(13) . ?
F14_15 C50_15 1.335(12) . ?
F15_15 C50_15 1.321(12) . ?
O1_15 C47_15 1.349(9) . ?
C47_15 C48_15 1.509(10) . ?
C47_15 C49_15 1.513(11) . ?
C47_15 C50_15 1.540(11) . ?
F7_16 C48_16 1.298(13) . ?
F8_16 C48_16 1.372(13) . ?
F9_16 C48_16 1.302(13) . ?
F10_16 C49_16 1.305(11) . ?
F11_16 C49_16 1.320(12) . ?
F12_16 C49_16 1.318(13) . ?
F13_16 C50_16 1.319(13) . ?
F14_16 C50_16 1.301(11) . ?
F15_16 C50_16 1.291(13) . ?
O1_16 C47_16 1.361(10) . ?
C47_16 C48_16 1.525(12) . ?
C47_16 C49_16 1.514(11) . ?
C47_16 C50_16 1.517(11) . ?
F7_17 C48_17 1.318(12) . ?
F8_17 C48_17 1.342(13) . ?
F9_17 C48_17 1.354(13) . ?
F10_17 C49_17 1.347(13) . ?
F11_17 C49_17 1.360(13) . ?
F12_17 C49_17 1.303(13) . ?
F13_17 C50_17 1.330(11) . ?
F14_17 C50_17 1.314(12) . ?
F15_17 C50_17 1.370(13) . ?
O1_17 C47_17 1.358(10) . ?
C47_17 C48_17 1.531(12) . ?
C47_17 C49_17 1.527(12) . ?
C47_17 C50_17 1.505(11) . ?
F7_18 C48_18 1.292(12) . ?
F8_18 C48_18 1.388(13) . ?
F9_18 C48_18 1.301(13) . ?
F10_18 C49_18 1.300(13) . ?
F11_18 C49_18 1.294(13) . ?
F12_18 C49_18 1.310(13) . ?
F13_18 C50_18 1.321(13) . ?
F14_18 C50_18 1.324(12) . ?
F15_18 C50_18 1.283(13) . ?
O1_18 C47_18 1.339(10) . ?
C47_18 C48_18 1.528(12) . ?
C47_18 C49_18 1.496(11) . ?
C47_18 C50_18 1.558(12) . ?
F7_19 C48_19 1.256(12) . ?
F8_19 C48_19 1.366(13) . ?
F9_19 C48_19 1.291(13) . ?
F10_19 C49_19 1.327(13) . ?
F11_19 C49_19 1.359(12) . ?
F12_19 C49_19 1.292(13) . ?
F13_19 C50_19 1.331(13) . ?
F14_19 C50_19 1.337(14) . ?
F15_19 C50_19 1.311(14) . ?
O1_19 C47_19 1.320(11) . ?
C47_19 C48_19 1.541(12) . ?
C47_19 C49_19 1.507(12) . ?
C47_19 C50_19 1.545(12) . ?
F7_20 C48_20 1.298(13) . ?
F8_20 C48_20 1.383(14) . ?
F9_20 C48_20 1.313(14) . ?
F10_20 C49_20 1.315(13) . ?
F11_20 C49_20 1.323(13) . ?
F12_20 C49_20 1.328(13) . ?
F13_20 C50_20 1.330(13) . ?
F14_20 C50_20 1.340(14) . ?
F15_20 C50_20 1.316(13) . ?
O1_20 C47_20 1.354(11) . ?
C47_20 C48_20 1.541(13) . ?
C47_20 C49_20 1.521(12) . ?
C47_20 C50_20 1.519(12) . ?
F7_21 C48_21 1.291(13) . ?
F8_21 C48_21 1.338(14) . ?
F9_21 C48_21 1.318(13) . ?
F10_21 C49_21 1.311(13) . ?
F11_21 C49_21 1.333(13) . ?
F12_21 C49_21 1.318(13) . ?
F13_21 C50_21 1.363(13) . ?
F14_21 C50_21 1.286(12) . ?
F15_21 C50_21 1.309(13) . ?
O1_21 C47_21 1.347(10) . ?
C47_21 C48_21 1.532(12) . ?
C47_21 C49_21 1.505(12) . ?
C47_21 C50_21 1.547(12) . ?
F7_2 C48_2 1.302(13) . ?
F8_2 C48_2 1.359(14) . ?
F9_2 C48_2 1.293(13) . ?
F10_2 C49_2 1.286(13) . ?
F11_2 C49_2 1.336(14) . ?
F12_2 C49_2 1.324(13) . ?
F13_2 C50_2 1.344(13) . ?
F14_2 C50_2 1.343(14) . ?
F15_2 C50_2 1.295(14) . ?
O1_2 C47_2 1.350(11) . ?
C47_2 C48_2 1.526(12) . ?
C47_2 C49_2 1.527(13) . ?
C47_2 C50_2 1.511(12) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
F1 Dy1 F2 74.86(13) . . ?
F1 Dy1 F5 78.68(15) . . ?
F1 Dy1 F6 73.96(12) . . ?
F1 Dy1 C1 151.89(16) . . ?
F1 Dy1 C2 148.59(16) . . ?
F1 Dy1 C3 149.94(16) . . ?
F1 Dy1 C4 153.86(16) . . ?
F1 Dy1 C5 155.86(16) . . ?
F2 Dy1 F5 134.78(13) . . ?
F2 Dy1 C1 110.67(17) . . ?
F2 Dy1 C2 80.28(16) . . ?
F2 Dy1 C3 78.02(14) . . ?
F2 Dy1 C4 106.33(15) . . ?
F2 Dy1 C5 129.26(14) . . ?
F3 Dy1 F1 76.97(15) . . ?
F3 Dy1 F2 70.49(14) . . ?
F3 Dy1 F5 136.80(16) . . ?
F3 Dy1 F6 134.36(15) . . ?
F3 Dy1 C1 131.14(16) . . ?
F3 Dy1 C2 112.43(17) . . ?
F3 Dy1 C3 82.01(16) . . ?
F3 Dy1 C4 78.95(17) . . ?
F3 Dy1 C5 107.97(18) . . ?
F4 Dy1 F1 77.05(15) . . ?
F4 Dy1 F2 136.12(15) . . ?
F4 Dy1 F3 70.78(18) . . ?
F4 Dy1 F5 69.30(16) . . ?
F4 Dy1 F6 133.04(14) . . ?
F4 Dy1 C1 110.1(2) . . ?
F4 Dy1 C2 134.21(18) . . ?
F4 Dy1 C3 115.83(17) . . ?
F4 Dy1 C4 85.58(17) . . ?
F4 Dy1 C5 82.32(18) . . ?
F5 Dy1 C1 78.80(17) . . ?
F5 Dy1 C2 106.98(17) . . ?
F5 Dy1 C3 130.71(16) . . ?
F5 Dy1 C4 113.39(18) . . ?
F5 Dy1 C5 82.41(16) . . ?
F6 Dy1 F2 68.43(12) . . ?
F6 Dy1 F5 69.35(13) . . ?
F6 Dy1 C1 82.48(16) . . ?
F6 Dy1 C2 79.27(15) . . ?
F6 Dy1 C3 107.66(15) . . ?
F6 Dy1 C4 131.44(14) . . ?
F6 Dy1 C5 113.01(17) . . ?
C1 Dy1 C3 52.71(17) . . ?
C1 Dy1 C4 53.19(18) . . ?
C1 Dy1 C5 31.8(2) . . ?
C2 Dy1 C1 31.8(2) . . ?
C2 Dy1 C3 31.94(17) . . ?
C2 Dy1 C4 52.89(17) . . ?
C2 Dy1 C5 52.55(19) . . ?
C3 Dy1 C4 31.54(18) . . ?
C5 Dy1 C3 52.44(17) . . ?
C5 Dy1 C4 32.28(19) . . ?
O1_4 Al1 F7 110.9(9) . . ?
O1_4 Al1 O1_6 110.5(11) . . ?
O1_4 Al1 O1_2 115.3(8) . . ?
O1_6 Al1 F7 103.0(6) . . ?
O1_18 Al1 F7 106.7(5) . . ?
O1_18 Al1 O1_20 119.1(8) . . ?
O1_18 Al1 O1_21 113.4(5) . . ?
O1_20 Al1 F7 99.8(6) . . ?
O1_21 Al1 F7 105.6(4) . . ?
O1_21 Al1 O1_20 110.3(6) . . ?
O1_2 Al1 F7 105.2(5) . . ?
O1_2 Al1 O1_6 111.2(6) . . ?
O1_1 Al2 F7 104.3(2) . . ?
O1_1 Al2 O1_19 114.9(8) . . ?
O1_3 Al2 F7 104.0(2) . . ?
O1_3 Al2 O1_1 114.1(3) . . ?
O1_3 Al2 O1_19 116.2(8) . . ?
O1_5 Al2 F7 112.1(9) . . ?
O1_5 Al2 O1_1 109.8(11) . . ?
O1_5 Al2 O1_3 112.2(11) . . ?
O1_19 Al2 F7 100.9(6) . . ?
O1_7 Al3 F8 104.6(8) . . ?
O1_9 Al3 F8 108.7(8) . . ?
O1_9 Al3 O1_7 112.1(13) . . ?
O1_12 Al3 F8 103.1(6) . . ?
O1_12 Al3 O1_7 107.5(9) . . ?
O1_12 Al3 O1_9 119.5(10) . . ?
O1_13 Al3 F8 105.1(3) . . ?
O1_14 Al3 F8 97.4(4) . . ?
O1_14 Al3 O1_13 110.3(6) . . ?
O1_17 Al3 F8 110.9(6) . . ?
O1_17 Al3 O1_13 111.4(5) . . ?
O1_17 Al3 O1_14 120.1(9) . . ?
O1_8 Al4 F8 103.3(2) . . ?
O1_8 Al4 O1_10 121.1(8) . . ?
O1_8 Al4 O1_15 109.7(5) . . ?
O1_10 Al4 F8 99.3(6) . . ?
O1_11 Al4 F8 105.1(9) . . ?
O1_11 Al4 O1_8 120.2(8) . . ?
O1_11 Al4 O1_10 104.6(11) . . ?
O1_15 Al4 F8 113.4(4) . . ?
O1_16 Al4 F8 102.2(6) . . ?
O1_16 Al4 O1_8 107.5(7) . . ?
O1_16 Al4 O1_15 119.3(7) . . ?
C11 F1 Dy1 149.2(3) . . ?
C17 F2 Dy1 139.3(3) . . ?
C23 F3 Dy1 166.5(4) . . ?
C29 F4 Dy1 166.3(4) . . ?
C35 F5 Dy1 154.5(4) . . ?
C41 F6 Dy1 146.0(3) . . ?
Al1 F7 Al2 177.0(2) . . ?
Al4 F8 Al3 175.1(2) . . ?
C2 C1 Dy1 74.0(3) . . ?
C2 C1 C5 107.8(5) . . ?
C2 C1 C6 126.1(7) . . ?
C5 C1 Dy1 74.5(3) . . ?
C5 C1 C6 125.7(7) . . ?
C6 C1 Dy1 123.3(4) . . ?
C1 C2 Dy1 74.2(3) . . ?
C1 C2 C3 108.1(5) . . ?
C1 C2 C7 126.8(6) . . ?
C3 C2 Dy1 74.6(3) . . ?
C3 C2 C7 124.8(6) . . ?
C7 C2 Dy1 122.3(4) . . ?
C2 C3 Dy1 73.5(3) . . ?
C2 C3 C8 126.3(6) . . ?
C4 C3 Dy1 75.1(3) . . ?
C4 C3 C2 109.2(5) . . ?
C4 C3 C8 124.4(6) . . ?
C8 C3 Dy1 121.8(4) . . ?
C3 C4 Dy1 73.3(3) . . ?
C3 C4 C5 106.3(5) . . ?
C3 C4 C9 126.5(6) . . ?
C5 C4 Dy1 73.0(3) . . ?
C5 C4 C9 127.1(6) . . ?
C9 C4 Dy1 122.0(4) . . ?
C1 C5 Dy1 73.7(3) . . ?
C1 C5 C4 108.7(5) . . ?
C1 C5 C10 125.2(7) . . ?
C4 C5 Dy1 74.8(3) . . ?
C4 C5 C10 125.7(7) . . ?
C10 C5 Dy1 123.5(4) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 F1 116.6(6) . . ?
C16 C11 F1 118.9(6) . . ?
C16 C11 C12 124.6(6) . . ?
C11 C12 H12 121.0 . . ?
C13 C12 C11 118.0(7) . . ?
C13 C12 H12 121.0 . . ?
C12 C13 H13 120.1 . . ?
C14 C13 C12 119.8(8) . . ?
C14 C13 H13 120.1 . . ?
C13 C14 H14 118.5 . . ?
C13 C14 C15 123.1(7) . . ?
C15 C14 H14 118.5 . . ?
C14 C15 H15 120.3 . . ?
C14 C15 C16 119.4(8) . . ?
C16 C15 H15 120.3 . . ?
C11 C16 C15 115.1(8) . . ?
C11 C16 H16 122.5 . . ?
C15 C16 H16 122.5 . . ?
C18 C17 F2 118.8(5) . . ?
C18 C17 C22 124.2(6) . . ?
C22 C17 F2 117.0(5) . . ?
C17 C18 H18 121.0 . . ?
C17 C18 C19 118.0(7) . . ?
C19 C18 H18 121.0 . . ?
C18 C19 H19 119.9 . . ?
C20 C19 C18 120.2(7) . . ?
C20 C19 H19 119.9 . . ?
C19 C20 H20 119.8 . . ?
C21 C20 C19 120.3(7) . . ?
C21 C20 H20 119.8 . . ?
C20 C21 H21 119.2 . . ?
C20 C21 C22 121.6(8) . . ?
C22 C21 H21 119.2 . . ?
C17 C22 C21 115.6(6) . . ?
C17 C22 H22 122.2 . . ?
C21 C22 H22 122.2 . . ?
C24 C23 F3 117.5(6) . . ?
C24 C23 C28 126.9(7) . . ?
C28 C23 F3 115.6(8) . . ?
C23 C24 H24 120.2 . . ?
C23 C24 C25 119.6(10) . . ?
C25 C24 H24 120.2 . . ?
C24 C25 H25 121.9 . . ?
C24 C25 C26 116.1(12) . . ?
C26 C25 H25 121.9 . . ?
C25 C26 H26 119.6 . . ?
C27 C26 C25 120.8(10) . . ?
C27 C26 H26 119.6 . . ?
C26 C27 H27 118.3 . . ?
C26 C27 C28 123.4(10) . . ?
C28 C27 H27 118.3 . . ?
C23 C28 C27 113.2(10) . . ?
C23 C28 H28 123.4 . . ?
C27 C28 H28 123.4 . . ?
F4 C29 C30 120.2(4) . . ?
F4 C29 C34 119.8(4) . . ?
C30 C29 C34 120.0 . . ?
C29 C30 H30 120.0 . . ?
C31 C30 C29 120.0 . . ?
C31 C30 H30 120.0 . . ?
C30 C31 H31 120.0 . . ?
C32 C31 C30 120.0 . . ?
C32 C31 H31 120.0 . . ?
C31 C32 H32 120.0 . . ?
C31 C32 C33 120.0 . . ?
C33 C32 H32 120.0 . . ?
C32 C33 H33 120.0 . . ?
C34 C33 C32 120.0 . . ?
C34 C33 H33 120.0 . . ?
C29 C34 H34 120.0 . . ?
C33 C34 C29 120.0 . . ?
C33 C34 H34 120.0 . . ?
C36 C35 F5 119.3(6) . . ?
C36 C35 C40 125.5(6) . . ?
C40 C35 F5 115.2(6) . . ?
C35 C36 H36 120.9 . . ?
C35 C36 C37 118.2(7) . . ?
C37 C36 H36 120.9 . . ?
C36 C37 H37 120.2 . . ?
C38 C37 C36 119.5(8) . . ?
C38 C37 H37 120.2 . . ?
C37 C38 H38 119.7 . . ?
C37 C38 C39 120.6(7) . . ?
C39 C38 H38 119.7 . . ?
C38 C39 H39 120.0 . . ?
C40 C39 C38 120.1(8) . . ?
C40 C39 H39 120.0 . . ?
C35 C40 H40 122.0 . . ?
C39 C40 C35 116.0(7) . . ?
C39 C40 H40 122.0 . . ?
C42 C41 F6 116.8(5) . . ?
C42 C41 C46 127.5(7) . . ?
C46 C41 F6 115.7(6) . . ?
C41 C42 H42 122.0 . . ?
C41 C42 C43 115.9(7) . . ?
C43 C42 H42 122.0 . . ?
C42 C43 H43 120.0 . . ?
C44 C43 C42 120.1(9) . . ?
C44 C43 H43 120.0 . . ?
C43 C44 H44 119.6 . . ?
C45 C44 C43 120.8(8) . . ?
C45 C44 H44 119.6 . . ?
C44 C45 H45 118.8 . . ?
C44 C45 C46 122.4(8) . . ?
C46 C45 H45 118.8 . . ?
C41 C46 C45 113.3(8) . . ?
C41 C46 H46 123.3 . . ?
C45 C46 H46 123.3 . . ?
C48 C47 H47 120.0 . . ?
C48 C47 C52 120.0 . . ?
C52 C47 H47 120.0 . . ?
C47 C48 H48 120.0 . . ?
C47 C48 C49 120.0 . . ?
C49 C48 H48 120.0 . . ?
C48 C49 H49 120.0 . . ?
C48 C49 C50 120.0 . . ?
C50 C49 H49 120.0 . . ?
F9 C50 C49 120.7(9) . . ?
F9 C50 C51 119.3(9) . . ?
C51 C50 C49 120.0 . . ?
C50 C51 H51 120.0 . . ?
C52 C51 C50 120.0 . . ?
C52 C51 H51 120.0 . . ?
C47 C52 H52 120.0 . . ?
C51 C52 C47 120.0 . . ?
C51 C52 H52 120.0 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C54 C53 H53A 109.5 . . ?
C54 C53 H53B 109.5 . . ?
C54 C53 H53C 109.5 . . ?
C53 C54 H54A 109.7 . . ?
C53 C54 H54B 109.7 . . ?
C53 C54 C55 110(2) . . ?
H54A C54 H54B 108.2 . . ?
C55 C54 H54A 109.7 . . ?
C55 C54 H54B 109.7 . . ?
C54 C55 H55A 110.0 . . ?
C54 C55 H55B 110.0 . . ?
C54 C55 C56 108.4(19) . . ?
H55A C55 H55B 108.4 . . ?
C56 C55 H55A 110.0 . . ?
C56 C55 H55B 110.0 . . ?
C55 C56 H56A 110.0 . . ?
C55 C56 H56B 110.0 . . ?
H56A C56 H56B 108.4 . . ?
C57 C56 C55 108(2) . . ?
C57 C56 H56A 110.0 . . ?
C57 C56 H56B 110.0 . . ?
C56 C57 H57A 108.8 . . ?
C56 C57 H57B 108.8 . . ?
H57A C57 H57B 107.7 . . ?
C58 C57 C56 114(2) . . ?
C58 C57 H57A 108.8 . . ?
C58 C57 H57B 108.8 . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C47_1 O1_1 Al2 156.8(6) . . ?
O1_1 C47_1 C48_1 107.2(7) . . ?
O1_1 C47_1 C49_1 113.1(7) . . ?
O1_1 C47_1 C50_1 115.2(7) . . ?
C49_1 C47_1 C48_1 107.0(8) . . ?
C49_1 C47_1 C50_1 111.8(8) . . ?
C50_1 C47_1 C48_1 101.5(8) . . ?
F7_1 C48_1 F8_1 111.5(10) . . ?
F7_1 C48_1 F9_1 101.6(12) . . ?
F7_1 C48_1 C47_1 119.6(10) . . ?
F8_1 C48_1 C47_1 112.1(9) . . ?
F9_1 C48_1 F8_1 105.4(12) . . ?
F9_1 C48_1 C47_1 104.8(9) . . ?
F10_1 C49_1 F11_1 103.6(11) . . ?
F10_1 C49_1 C47_1 114.6(10) . . ?
F11_1 C49_1 C47_1 111.7(9) . . ?
F12_1 C49_1 F10_1 108.8(11) . . ?
F12_1 C49_1 F11_1 110.2(13) . . ?
F12_1 C49_1 C47_1 107.8(10) . . ?
F13_1 C50_1 F14_1 105.2(11) . . ?
F13_1 C50_1 F15_1 109.1(13) . . ?
F13_1 C50_1 C47_1 109.3(9) . . ?
F14_1 C50_1 F15_1 108.5(14) . . ?
F14_1 C50_1 C47_1 112.9(11) . . ?
F15_1 C50_1 C47_1 111.6(9) . . ?
C47_3 O1_3 Al2 154.9(5) . . ?
O1_3 C47_3 C48_3 110.3(7) . . ?
O1_3 C47_3 C49_3 110.3(6) . . ?
O1_3 C47_3 C50_3 108.6(6) . . ?
C49_3 C47_3 C48_3 108.7(8) . . ?
C49_3 C47_3 C50_3 109.7(8) . . ?
C50_3 C47_3 C48_3 109.2(7) . . ?
F7_3 C48_3 F8_3 105.3(10) . . ?
F7_3 C48_3 F9_3 115.4(11) . . ?
F7_3 C48_3 C47_3 115.2(10) . . ?
F8_3 C48_3 C47_3 106.8(9) . . ?
F9_3 C48_3 F8_3 101.9(12) . . ?
F9_3 C48_3 C47_3 110.9(7) . . ?
F10_3 C49_3 F11_3 108.1(11) . . ?
F10_3 C49_3 C47_3 113.5(9) . . ?
F11_3 C49_3 C47_3 110.4(8) . . ?
F12_3 C49_3 F10_3 106.6(10) . . ?
F12_3 C49_3 F11_3 111.7(11) . . ?
F12_3 C49_3 C47_3 106.6(9) . . ?
F13_3 C50_3 F15_3 102.1(10) . . ?
F13_3 C50_3 C47_3 113.9(9) . . ?
F14_3 C50_3 F13_3 104.2(9) . . ?
F14_3 C50_3 F15_3 109.2(11) . . ?
F14_3 C50_3 C47_3 112.9(8) . . ?
F15_3 C50_3 C47_3 113.6(8) . . ?
C47_4 O1_4 Al1 157.1(18) . . ?
O1_4 C47_4 C48_4 112.2(14) . . ?
O1_4 C47_4 C49_4 112.7(13) . . ?
O1_4 C47_4 C50_4 107.2(12) . . ?
C49_4 C47_4 C48_4 108.1(11) . . ?
C49_4 C47_4 C50_4 109.9(11) . . ?
C50_4 C47_4 C48_4 106.6(12) . . ?
F7_4 C48_4 F8_4 103.9(16) . . ?
F7_4 C48_4 F9_4 114.2(18) . . ?
F7_4 C48_4 C47_4 113.8(14) . . ?
F8_4 C48_4 C47_4 112.6(14) . . ?
F9_4 C48_4 F8_4 105.0(16) . . ?
F9_4 C48_4 C47_4 107.0(14) . . ?
F10_4 C49_4 F11_4 112.4(15) . . ?
F10_4 C49_4 C47_4 114.7(14) . . ?
F11_4 C49_4 C47_4 111.5(12) . . ?
F12_4 C49_4 F10_4 103.9(15) . . ?
F12_4 C49_4 F11_4 104.4(14) . . ?
F12_4 C49_4 C47_4 109.0(11) . . ?
F13_4 C50_4 F14_4 110.0(17) . . ?
F13_4 C50_4 F15_4 107.3(17) . . ?
F13_4 C50_4 C47_4 106.3(14) . . ?
F14_4 C50_4 F15_4 108.8(18) . . ?
F14_4 C50_4 C47_4 112.4(14) . . ?
F15_4 C50_4 C47_4 112.0(13) . . ?
C47_5 O1_5 Al2 159(2) . . ?
O1_5 C47_5 C48_5 111.3(15) . . ?
O1_5 C47_5 C49_5 112.0(15) . . ?
O1_5 C47_5 C50_5 108.6(14) . . ?
C49_5 C47_5 C48_5 113.4(13) . . ?
C49_5 C47_5 C50_5 103.1(12) . . ?
C50_5 C47_5 C48_5 107.9(12) . . ?
F7_5 C48_5 F8_5 102.2(17) . . ?
F7_5 C48_5 F9_5 109.2(19) . . ?
F7_5 C48_5 C47_5 118.2(16) . . ?
F8_5 C48_5 C47_5 111.6(14) . . ?
F9_5 C48_5 F8_5 103.6(18) . . ?
F9_5 C48_5 C47_5 110.9(16) . . ?
F10_5 C49_5 F11_5 133(2) . . ?
F10_5 C49_5 C47_5 107.0(14) . . ?
F11_5 C49_5 C47_5 99.7(13) . . ?
F12_5 C49_5 F10_5 97.3(18) . . ?
F12_5 C49_5 F11_5 102.1(18) . . ?
F12_5 C49_5 C47_5 119.3(18) . . ?
F13_5 C50_5 F14_5 106.4(15) . . ?
F13_5 C50_5 F15_5 111.0(17) . . ?
F13_5 C50_5 C47_5 107.2(13) . . ?
F14_5 C50_5 F15_5 114.2(17) . . ?
F14_5 C50_5 C47_5 111.1(13) . . ?
F15_5 C50_5 C47_5 106.7(12) . . ?
C47_6 O1_6 Al1 147.9(10) . . ?
O1_6 C47_6 C48_6 113.2(12) . . ?
O1_6 C47_6 C49_6 111.0(11) . . ?
O1_6 C47_6 C50_6 107.6(12) . . ?
C49_6 C47_6 C48_6 110.9(11) . . ?
C49_6 C47_6 C50_6 105.9(11) . . ?
C50_6 C47_6 C48_6 107.8(12) . . ?
F7_6 C48_6 F8_6 115.0(16) . . ?
F7_6 C48_6 F9_6 110.8(14) . . ?
F7_6 C48_6 C47_6 113.6(13) . . ?
F8_6 C48_6 C47_6 107.4(11) . . ?
F9_6 C48_6 F8_6 100.2(15) . . ?
F9_6 C48_6 C47_6 108.9(13) . . ?
F10_6 C49_6 F11_6 113.6(18) . . ?
F10_6 C49_6 C47_6 112.7(13) . . ?
F11_6 C49_6 C47_6 105.6(13) . . ?
F12_6 C49_6 F10_6 105.8(14) . . ?
F12_6 C49_6 F11_6 105.7(18) . . ?
F12_6 C49_6 C47_6 113.3(13) . . ?
F13_6 C50_6 F14_6 106.6(17) . . ?
F13_6 C50_6 F15_6 103.5(15) . . ?
F13_6 C50_6 C47_6 112.7(14) . . ?
F14_6 C50_6 C47_6 106.6(15) . . ?
F15_6 C50_6 F14_6 119.9(19) . . ?
F15_6 C50_6 C47_6 107.7(12) . . ?
C47_7 O1_7 Al3 158.7(18) . . ?
O1_7 C47_7 C48_7 113.8(14) . . ?
O1_7 C47_7 C49_7 116.5(13) . . ?
O1_7 C47_7 C50_7 107.7(13) . . ?
C48_7 C47_7 C50_7 106.1(12) . . ?
C49_7 C47_7 C48_7 107.3(12) . . ?
C49_7 C47_7 C50_7 104.5(12) . . ?
F7_7 C48_7 F8_7 105.1(18) . . ?
F7_7 C48_7 F9_7 104.0(17) . . ?
F7_7 C48_7 C47_7 115.8(16) . . ?
F8_7 C48_7 F9_7 113.0(18) . . ?
F8_7 C48_7 C47_7 109.8(15) . . ?
F9_7 C48_7 C47_7 109.2(15) . . ?
F10_7 C49_7 F11_7 112.8(17) . . ?
F10_7 C49_7 C47_7 111.7(14) . . ?
F11_7 C49_7 C47_7 105.9(15) . . ?
F12_7 C49_7 F10_7 104.6(17) . . ?
F12_7 C49_7 F11_7 109.9(18) . . ?
F12_7 C49_7 C47_7 112.1(16) . . ?
F13_7 C50_7 F14_7 104.1(16) . . ?
F13_7 C50_7 F15_7 109.4(18) . . ?
F13_7 C50_7 C47_7 110.8(15) . . ?
F14_7 C50_7 F15_7 117.8(19) . . ?
F14_7 C50_7 C47_7 107.0(14) . . ?
F15_7 C50_7 C47_7 107.7(15) . . ?
C47_8 O1_8 Al4 158.6(5) . . ?
O1_8 C47_8 C48_8 110.9(6) . . ?
O1_8 C47_8 C49_8 111.2(5) . . ?
O1_8 C47_8 C50_8 107.5(6) . . ?
C49_8 C47_8 C48_8 107.8(6) . . ?
C49_8 C47_8 C50_8 110.8(6) . . ?
C50_8 C47_8 C48_8 108.6(6) . . ?
F7_8 C48_8 F8_8 106.9(8) . . ?
F7_8 C48_8 F9_8 110.8(11) . . ?
F7_8 C48_8 C47_8 113.6(7) . . ?
F8_8 C48_8 C47_8 110.6(8) . . ?
F9_8 C48_8 F8_8 103.9(9) . . ?
F9_8 C48_8 C47_8 110.6(7) . . ?
F10_8 C49_8 F11_8 106.5(7) . . ?
F10_8 C49_8 C47_8 112.3(6) . . ?
F11_8 C49_8 C47_8 114.6(6) . . ?
F12_8 C49_8 F10_8 105.1(8) . . ?
F12_8 C49_8 F11_8 105.9(8) . . ?
F12_8 C49_8 C47_8 111.7(6) . . ?
F13_8 C50_8 F14_8 106.8(9) . . ?
F13_8 C50_8 C47_8 113.0(7) . . ?
F14_8 C50_8 C47_8 109.9(7) . . ?
F15_8 C50_8 F13_8 104.2(8) . . ?
F15_8 C50_8 F14_8 109.3(9) . . ?
F15_8 C50_8 C47_8 113.3(7) . . ?
C47_9 O1_9 Al3 163(2) . . ?
O1_9 C47_9 C48_9 112.3(13) . . ?
O1_9 C47_9 C49_9 111.6(14) . . ?
O1_9 C47_9 C50_9 108.0(13) . . ?
C49_9 C47_9 C48_9 109.5(12) . . ?
C49_9 C47_9 C50_9 105.9(12) . . ?
C50_9 C47_9 C48_9 109.3(11) . . ?
F7_9 C48_9 F8_9 108.3(15) . . ?
F7_9 C48_9 F9_9 109.5(16) . . ?
F7_9 C48_9 C47_9 112.1(13) . . ?
F8_9 C48_9 F9_9 104.9(16) . . ?
F8_9 C48_9 C47_9 113.3(13) . . ?
F9_9 C48_9 C47_9 108.5(13) . . ?
F10_9 C49_9 C47_9 104.5(15) . . ?
F11_9 C49_9 F10_9 113.3(19) . . ?
F11_9 C49_9 C47_9 112.7(16) . . ?
F12_9 C49_9 F10_9 107.7(16) . . ?
F12_9 C49_9 F11_9 107.5(17) . . ?
F12_9 C49_9 C47_9 111.1(15) . . ?
F13_9 C50_9 F14_9 105.0(18) . . ?
F13_9 C50_9 F15_9 104.0(17) . . ?
F13_9 C50_9 C47_9 111.6(15) . . ?
F14_9 C50_9 C47_9 110.1(13) . . ?
F15_9 C50_9 F14_9 114.5(18) . . ?
F15_9 C50_9 C47_9 111.3(14) . . ?
C47_10 O1_10 Al4 167.8(15) . . ?
O1_10 C47_10 C48_10 109.4(13) . . ?
O1_10 C47_10 C49_10 115.4(14) . . ?
O1_10 C47_10 C50_10 106.2(12) . . ?
C49_10 C47_10 C48_10 109.4(12) . . ?
C49_10 C47_10 C50_10 107.4(12) . . ?
C50_10 C47_10 C48_10 109.0(12) . . ?
F7_10 C48_10 F8_10 103.1(17) . . ?
F7_10 C48_10 F9_10 113.4(18) . . ?
F7_10 C48_10 C47_10 120.2(16) . . ?
F8_10 C48_10 C47_10 110.8(15) . . ?
F9_10 C48_10 F8_10 101.1(18) . . ?
F9_10 C48_10 C47_10 106.6(13) . . ?
F10_10 C49_10 F11_10 112.1(18) . . ?
F10_10 C49_10 C47_10 110.2(13) . . ?
F11_10 C49_10 C47_10 113.5(14) . . ?
F12_10 C49_10 F10_10 108.8(17) . . ?
F12_10 C49_10 F11_10 99.6(17) . . ?
F12_10 C49_10 C47_10 112.2(15) . . ?
F13_10 C50_10 F14_10 111.0(18) . . ?
F13_10 C50_10 F15_10 106.1(19) . . ?
F13_10 C50_10 C47_10 110.3(16) . . ?
F14_10 C50_10 F15_10 110.1(19) . . ?
F14_10 C50_10 C47_10 110.3(14) . . ?
F15_10 C50_10 C47_10 109.0(15) . . ?
C47_11 O1_11 Al4 153.3(17) . . ?
O1_11 C47_11 C48_11 106.7(13) . . ?
O1_11 C47_11 C49_11 117.1(15) . . ?
O1_11 C47_11 C50_11 103.2(12) . . ?
C49_11 C47_11 C48_11 110.5(12) . . ?
C49_11 C47_11 C50_11 113.3(12) . . ?
C50_11 C47_11 C48_11 105.1(12) . . ?
F7_11 C48_11 F8_11 104.3(17) . . ?
F7_11 C48_11 F9_11 112.9(19) . . ?
F7_11 C48_11 C47_11 115.7(16) . . ?
F8_11 C48_11 C47_11 110.2(14) . . ?
F9_11 C48_11 F8_11 102.0(18) . . ?
F9_11 C48_11 C47_11 110.7(14) . . ?
F10_11 C49_11 F11_11 109.6(18) . . ?
F10_11 C49_11 C47_11 116.2(14) . . ?
F11_11 C49_11 C47_11 112.9(16) . . ?
F12_11 C49_11 F10_11 98.7(15) . . ?
F12_11 C49_11 F11_11 110.2(18) . . ?
F12_11 C49_11 C47_11 108.1(13) . . ?
F13_11 C50_11 F14_11 103.5(16) . . ?
F13_11 C50_11 F15_11 110.5(19) . . ?
F13_11 C50_11 C47_11 100.3(14) . . ?
F14_11 C50_11 F15_11 121.2(18) . . ?
F14_11 C50_11 C47_11 109.3(13) . . ?
F15_11 C50_11 C47_11 109.9(16) . . ?
C47_12 O1_12 Al3 153.4(12) . . ?
O1_12 C47_12 C48_12 99.8(11) . . ?
O1_12 C47_12 C49_12 112.1(12) . . ?
O1_12 C47_12 C50_12 109.5(12) . . ?
C49_12 C47_12 C48_12 113.4(11) . . ?
C50_12 C47_12 C48_12 111.2(12) . . ?
C50_12 C47_12 C49_12 110.5(11) . . ?
F7_12 C48_12 F8_12 112.0(17) . . ?
F7_12 C48_12 F9_12 109.4(17) . . ?
F7_12 C48_12 C47_12 117.9(16) . . ?
F8_12 C48_12 C47_12 107.3(14) . . ?
F9_12 C48_12 F8_12 105.1(15) . . ?
F9_12 C48_12 C47_12 104.1(12) . . ?
F10_12 C49_12 F11_12 116.5(16) . . ?
F10_12 C49_12 C47_12 111.7(13) . . ?
F11_12 C49_12 C47_12 110.3(12) . . ?
F12_12 C49_12 F10_12 104.8(17) . . ?
F12_12 C49_12 F11_12 104.2(17) . . ?
F12_12 C49_12 C47_12 108.7(15) . . ?
F13_12 C50_12 F14_12 104.0(16) . . ?
F13_12 C50_12 F15_12 110.4(18) . . ?
F13_12 C50_12 C47_12 110.9(15) . . ?
F14_12 C50_12 F15_12 114.9(19) . . ?
F14_12 C50_12 C47_12 108.5(14) . . ?
F15_12 C50_12 C47_12 108.0(13) . . ?
C47_13 O1_13 Al3 151.2(7) . . ?
O1_13 C47_13 C48_13 118.0(9) . . ?
O1_13 C47_13 C49_13 111.2(9) . . ?
O1_13 C47_13 C50_13 107.5(8) . . ?
C48_13 C47_13 C50_13 105.6(9) . . ?
C49_13 C47_13 C48_13 106.1(9) . . ?
C49_13 C47_13 C50_13 108.1(9) . . ?
F7_13 C48_13 F8_13 105.8(15) . . ?
F7_13 C48_13 F9_13 108.9(14) . . ?
F7_13 C48_13 C47_13 114.0(12) . . ?
F8_13 C48_13 C47_13 108.7(11) . . ?
F9_13 C48_13 F8_13 107.2(15) . . ?
F9_13 C48_13 C47_13 111.8(12) . . ?
F10_13 C49_13 F11_13 119.1(15) . . ?
F10_13 C49_13 C47_13 110.5(11) . . ?
F11_13 C49_13 C47_13 110.2(10) . . ?
F12_13 C49_13 F10_13 101.7(12) . . ?
F12_13 C49_13 F11_13 101.1(10) . . ?
F12_13 C49_13 C47_13 113.7(10) . . ?
F13_13 C50_13 F14_13 105.4(12) . . ?
F13_13 C50_13 C47_13 112.3(9) . . ?
F14_13 C50_13 C47_13 105.4(10) . . ?
F15_13 C50_13 F13_13 107.2(10) . . ?
F15_13 C50_13 F14_13 111.0(13) . . ?
F15_13 C50_13 C47_13 115.1(9) . . ?
C47_14 O1_14 Al3 144.9(9) . . ?
O1_14 C47_14 C48_14 111.1(10) . . ?
O1_14 C47_14 C49_14 110.7(10) . . ?
O1_14 C47_14 C50_14 106.6(9) . . ?
C49_14 C47_14 C48_14 106.3(9) . . ?
C49_14 C47_14 C50_14 115.1(9) . . ?
C50_14 C47_14 C48_14 107.0(9) . . ?
F7_14 C48_14 F8_14 106.7(11) . . ?
F7_14 C48_14 C47_14 114.5(11) . . ?
F8_14 C48_14 C47_14 111.3(11) . . ?
F9_14 C48_14 F7_14 108.9(13) . . ?
F9_14 C48_14 F8_14 106.6(12) . . ?
F9_14 C48_14 C47_14 108.5(9) . . ?
F10_14 C49_14 F11_14 109.3(12) . . ?
F10_14 C49_14 C47_14 115.0(12) . . ?
F11_14 C49_14 C47_14 110.1(11) . . ?
F12_14 C49_14 F10_14 104.7(13) . . ?
F12_14 C49_14 F11_14 103.9(12) . . ?
F12_14 C49_14 C47_14 113.2(11) . . ?
F13_14 C50_14 F14_14 105.3(12) . . ?
F13_14 C50_14 C47_14 112.0(9) . . ?
F14_14 C50_14 C47_14 112.2(10) . . ?
F15_14 C50_14 F13_14 106.6(11) . . ?
F15_14 C50_14 F14_14 109.3(13) . . ?
F15_14 C50_14 C47_14 111.1(10) . . ?
C47_15 O1_15 Al4 151.6(8) . . ?
O1_15 C47_15 C48_15 108.0(7) . . ?
O1_15 C47_15 C49_15 111.2(9) . . ?
O1_15 C47_15 C50_15 110.7(9) . . ?
C48_15 C47_15 C50_15 107.0(8) . . ?
C49_15 C47_15 C48_15 111.2(8) . . ?
C49_15 C47_15 C50_15 108.6(8) . . ?
F7_15 C48_15 F8_15 108.3(10) . . ?
F7_15 C48_15 F9_15 105.7(11) . . ?
F7_15 C48_15 C47_15 114.6(8) . . ?
F8_15 C48_15 F9_15 101.8(12) . . ?
F8_15 C48_15 C47_15 115.4(9) . . ?
F9_15 C48_15 C47_15 109.8(9) . . ?
F10_15 C49_15 F11_15 110.9(10) . . ?
F10_15 C49_15 C47_15 113.6(9) . . ?
F11_15 C49_15 C47_15 108.0(9) . . ?
F12_15 C49_15 F10_15 107.7(11) . . ?
F12_15 C49_15 F11_15 106.6(12) . . ?
F12_15 C49_15 C47_15 109.9(9) . . ?
F13_15 C50_15 F14_15 113.4(12) . . ?
F13_15 C50_15 F15_15 109.1(13) . . ?
F13_15 C50_15 C47_15 109.9(10) . . ?
F14_15 C50_15 C47_15 110.3(11) . . ?
F15_15 C50_15 F14_15 105.3(11) . . ?
F15_15 C50_15 C47_15 108.6(10) . . ?
C47_16 O1_16 Al4 153.9(11) . . ?
O1_16 C47_16 C48_16 111.8(11) . . ?
O1_16 C47_16 C49_16 105.7(9) . . ?
O1_16 C47_16 C50_16 110.7(10) . . ?
C49_16 C47_16 C48_16 110.6(9) . . ?
C49_16 C47_16 C50_16 107.8(9) . . ?
C50_16 C47_16 C48_16 110.1(9) . . ?
F7_16 C48_16 F8_16 108.6(15) . . ?
F7_16 C48_16 F9_16 114.2(16) . . ?
F7_16 C48_16 C47_16 111.5(12) . . ?
F8_16 C48_16 C47_16 111.2(11) . . ?
F9_16 C48_16 F8_16 97.4(13) . . ?
F9_16 C48_16 C47_16 113.1(12) . . ?
F10_16 C49_16 F11_16 114.0(13) . . ?
F10_16 C49_16 C47_16 111.4(9) . . ?
F11_16 C49_16 C47_16 112.7(10) . . ?
F12_16 C49_16 F10_16 103.6(11) . . ?
F12_16 C49_16 F11_16 102.5(13) . . ?
F12_16 C49_16 C47_16 111.9(10) . . ?
F13_16 C50_16 F14_16 104.3(10) . . ?
F13_16 C50_16 F15_16 105.9(15) . . ?
F13_16 C50_16 C47_16 111.0(9) . . ?
F14_16 C50_16 C47_16 110.7(10) . . ?
F15_16 C50_16 F14_16 112.3(13) . . ?
F15_16 C50_16 C47_16 112.2(10) . . ?
C47_17 O1_17 Al3 152.1(11) . . ?
O1_17 C47_17 C48_17 107.8(11) . . ?
O1_17 C47_17 C49_17 112.8(10) . . ?
O1_17 C47_17 C50_17 107.0(9) . . ?
C49_17 C47_17 C48_17 106.7(9) . . ?
C50_17 C47_17 C48_17 113.0(9) . . ?
C50_17 C47_17 C49_17 109.6(9) . . ?
F7_17 C48_17 F8_17 108.6(14) . . ?
F7_17 C48_17 F9_17 114.4(13) . . ?
F7_17 C48_17 C47_17 110.6(10) . . ?
F8_17 C48_17 F9_17 106.5(12) . . ?
F8_17 C48_17 C47_17 106.9(11) . . ?
F9_17 C48_17 C47_17 109.5(10) . . ?
F10_17 C49_17 F11_17 115.6(15) . . ?
F10_17 C49_17 C47_17 107.7(11) . . ?
F11_17 C49_17 C47_17 110.0(11) . . ?
F12_17 C49_17 F10_17 106.4(12) . . ?
F12_17 C49_17 F11_17 108.0(13) . . ?
F12_17 C49_17 C47_17 108.9(10) . . ?
F13_17 C50_17 F14_17 104.8(11) . . ?
F13_17 C50_17 F15_17 108.0(11) . . ?
F13_17 C50_17 C47_17 112.4(10) . . ?
F14_17 C50_17 F15_17 110.1(12) . . ?
F14_17 C50_17 C47_17 112.8(9) . . ?
F15_17 C50_17 C47_17 108.6(10) . . ?
C47_18 O1_18 Al1 161.3(9) . . ?
O1_18 C47_18 C48_18 108.1(9) . . ?
O1_18 C47_18 C49_18 114.5(9) . . ?
O1_18 C47_18 C50_18 102.2(9) . . ?
C49_18 C47_18 C48_18 107.9(9) . . ?
C49_18 C47_18 C50_18 113.4(10) . . ?
C50_18 C47_18 C48_18 110.6(9) . . ?
F7_18 C48_18 F8_18 111.3(13) . . ?
F7_18 C48_18 F9_18 113.2(14) . . ?
F7_18 C48_18 C47_18 111.6(11) . . ?
F8_18 C48_18 C47_18 105.5(10) . . ?
F9_18 C48_18 F8_18 101.5(14) . . ?
F9_18 C48_18 C47_18 112.9(10) . . ?
F10_18 C49_18 F11_18 100.8(13) . . ?
F10_18 C49_18 C47_18 111.4(10) . . ?
F11_18 C49_18 C47_18 119.5(12) . . ?
F12_18 C49_18 F10_18 108.0(16) . . ?
F12_18 C49_18 F11_18 105.0(15) . . ?
F12_18 C49_18 C47_18 111.2(11) . . ?
F13_18 C50_18 F14_18 103.2(13) . . ?
F13_18 C50_18 F15_18 98.2(14) . . ?
F13_18 C50_18 C47_18 110.7(13) . . ?
F14_18 C50_18 C47_18 102.8(9) . . ?
F15_18 C50_18 F14_18 134.4(15) . . ?
F15_18 C50_18 C47_18 106.5(9) . . ?
C47_19 O1_19 Al2 157.4(16) . . ?
O1_19 C47_19 C48_19 107.9(12) . . ?
O1_19 C47_19 C49_19 115.0(12) . . ?
O1_19 C47_19 C50_19 111.3(11) . . ?
C49_19 C47_19 C48_19 104.7(10) . . ?
C49_19 C47_19 C50_19 109.8(10) . . ?
C50_19 C47_19 C48_19 107.7(10) . . ?
F7_19 C48_19 F8_19 108.5(14) . . ?
F7_19 C48_19 F9_19 112.0(14) . . ?
F7_19 C48_19 C47_19 116.2(12) . . ?
F8_19 C48_19 C47_19 100.4(12) . . ?
F9_19 C48_19 F8_19 110.2(17) . . ?
F9_19 C48_19 C47_19 109.0(11) . . ?
F10_19 C49_19 F11_19 110.0(15) . . ?
F10_19 C49_19 C47_19 117.1(13) . . ?
F11_19 C49_19 C47_19 107.6(11) . . ?
F12_19 C49_19 F10_19 97.6(14) . . ?
F12_19 C49_19 F11_19 113.3(14) . . ?
F12_19 C49_19 C47_19 111.2(11) . . ?
F13_19 C50_19 F14_19 106.6(14) . . ?
F13_19 C50_19 F15_19 106.6(14) . . ?
F13_19 C50_19 C47_19 114.8(12) . . ?
F14_19 C50_19 C47_19 108.8(13) . . ?
F15_19 C50_19 F14_19 104.9(16) . . ?
F15_19 C50_19 C47_19 114.4(11) . . ?
C47_20 O1_20 Al1 155.2(11) . . ?
O1_20 C47_20 C48_20 111.8(11) . . ?
O1_20 C47_20 C49_20 108.3(10) . . ?
O1_20 C47_20 C50_20 110.3(11) . . ?
C49_20 C47_20 C48_20 106.2(10) . . ?
C50_20 C47_20 C48_20 109.6(10) . . ?
C50_20 C47_20 C49_20 110.6(10) . . ?
F7_20 C48_20 F8_20 111.0(15) . . ?
F7_20 C48_20 F9_20 115.5(15) . . ?
F7_20 C48_20 C47_20 113.1(12) . . ?
F8_20 C48_20 C47_20 106.9(12) . . ?
F9_20 C48_20 F8_20 103.8(15) . . ?
F9_20 C48_20 C47_20 105.9(11) . . ?
F10_20 C49_20 F11_20 105.4(14) . . ?
F10_20 C49_20 C47_20 111.8(12) . . ?
F11_20 C49_20 C47_20 110.3(11) . . ?
F12_20 C49_20 F10_20 108.9(15) . . ?
F12_20 C49_20 F11_20 113.0(16) . . ?
F12_20 C49_20 C47_20 107.5(12) . . ?
F13_20 C50_20 F14_20 104.2(14) . . ?
F13_20 C50_20 F15_20 110.2(13) . . ?
F13_20 C50_20 C47_20 114.6(12) . . ?
F14_20 C50_20 C47_20 107.8(12) . . ?
F15_20 C50_20 F14_20 108.4(14) . . ?
F15_20 C50_20 C47_20 111.3(10) . . ?
C47_21 O1_21 Al1 153.8(9) . . ?
O1_21 C47_21 C48_21 112.2(10) . . ?
O1_21 C47_21 C49_21 113.0(9) . . ?
O1_21 C47_21 C50_21 110.6(9) . . ?
C48_21 C47_21 C50_21 107.4(9) . . ?
C49_21 C47_21 C48_21 106.5(10) . . ?
C49_21 C47_21 C50_21 106.9(10) . . ?
F7_21 C48_21 F8_21 106.9(15) . . ?
F7_21 C48_21 F9_21 111.0(14) . . ?
F7_21 C48_21 C47_21 113.9(12) . . ?
F8_21 C48_21 C47_21 106.5(11) . . ?
F9_21 C48_21 F8_21 107.6(15) . . ?
F9_21 C48_21 C47_21 110.7(12) . . ?
F10_21 C49_21 F11_21 109.0(14) . . ?
F10_21 C49_21 C47_21 112.2(11) . . ?
F11_21 C49_21 C47_21 107.3(10) . . ?
F12_21 C49_21 F10_21 110.5(15) . . ?
F12_21 C49_21 F11_21 106.9(15) . . ?
F12_21 C49_21 C47_21 110.8(12) . . ?
F13_21 C50_21 F14_21 109.3(13) . . ?
F13_21 C50_21 F15_21 109.5(13) . . ?
F13_21 C50_21 C47_21 106.1(10) . . ?
F14_21 C50_21 F15_21 109.2(13) . . ?
F14_21 C50_21 C47_21 112.0(11) . . ?
F15_21 C50_21 C47_21 110.6(11) . . ?
C47_2 O1_2 Al1 148.0(10) . . ?
O1_2 C47_2 C48_2 108.8(10) . . ?
O1_2 C47_2 C49_2 108.6(10) . . ?
O1_2 C47_2 C50_2 111.2(11) . . ?
C49_2 C47_2 C48_2 109.4(10) . . ?
C50_2 C47_2 C48_2 110.2(10) . . ?
C50_2 C47_2 C49_2 108.7(10) . . ?
F7_2 C48_2 F8_2 106.7(15) . . ?
F7_2 C48_2 F9_2 109.2(14) . . ?
F7_2 C48_2 C47_2 111.4(13) . . ?
F8_2 C48_2 C47_2 107.9(11) . . ?
F9_2 C48_2 F8_2 106.9(14) . . ?
F9_2 C48_2 C47_2 114.4(11) . . ?
F10_2 C49_2 F11_2 109.9(15) . . ?
F10_2 C49_2 C47_2 112.5(12) . . ?
F11_2 C49_2 C47_2 108.3(12) . . ?
F12_2 C49_2 F10_2 106.2(14) . . ?
F12_2 C49_2 F11_2 111.3(15) . . ?
F12_2 C49_2 C47_2 108.7(10) . . ?
F13_2 C50_2 F14_2 108.0(15) . . ?
F13_2 C50_2 C47_2 112.8(12) . . ?
F14_2 C50_2 C47_2 111.5(11) . . ?
F15_2 C50_2 F13_2 101.4(15) . . ?
F15_2 C50_2 F14_2 108.0(15) . . ?
F15_2 C50_2 C47_2 114.6(12) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy1 F1 C11 C12 -82.1(9) . . . . ?
Dy1 F1 C11 C16 98.2(9) . . . . ?
Dy1 F2 C17 C18 93.7(7) . . . . ?
Dy1 F2 C17 C22 -87.6(7) . . . . ?
Dy1 F3 C23 C24 52(2) . . . . ?
Dy1 F3 C23 C28 -128.5(17) . . . . ?
Dy1 F4 C29 C30 86.2(16) . . . . ?
Dy1 F4 C29 C34 -94.1(16) . . . . ?
Dy1 F5 C35 C36 69.6(11) . . . . ?
Dy1 F5 C35 C40 -112.7(9) . . . . ?
Dy1 F6 C41 C42 -69.8(9) . . . . ?
Dy1 F6 C41 C46 110.2(7) . . . . ?
Dy1 C1 C2 C3 -67.5(4) . . . . ?
Dy1 C1 C2 C7 118.8(6) . . . . ?
Dy1 C1 C5 C4 67.2(4) . . . . ?
Dy1 C1 C5 C10 -119.8(6) . . . . ?
Dy1 C2 C3 C4 -67.2(4) . . . . ?
Dy1 C2 C3 C8 117.6(6) . . . . ?
Dy1 C3 C4 C5 -66.0(4) . . . . ?
Dy1 C3 C4 C9 117.9(6) . . . . ?
Dy1 C4 C5 C1 -66.5(4) . . . . ?
Dy1 C4 C5 C10 120.5(6) . . . . ?
Al1 O1_4 C47_4 C48_4 -118(5) . . . . ?
Al1 O1_4 C47_4 C49_4 5(5) . . . . ?
Al1 O1_4 C47_4 C50_4 126(5) . . . . ?
Al1 O1_6 C47_6 C48_6 45(3) . . . . ?
Al1 O1_6 C47_6 C49_6 170(2) . . . . ?
Al1 O1_6 C47_6 C50_6 -74(3) . . . . ?
Al1 O1_18 C47_18 C48_18 166(3) . . . . ?
Al1 O1_18 C47_18 C49_18 -74(3) . . . . ?
Al1 O1_18 C47_18 C50_18 49(3) . . . . ?
Al1 O1_20 C47_20 C48_20 70(4) . . . . ?
Al1 O1_20 C47_20 C49_20 -173(3) . . . . ?
Al1 O1_20 C47_20 C50_20 -52(4) . . . . ?
Al1 O1_21 C47_21 C48_21 89(2) . . . . ?
Al1 O1_21 C47_21 C49_21 -150.1(18) . . . . ?
Al1 O1_21 C47_21 C50_21 -30(2) . . . . ?
Al1 O1_2 C47_2 C48_2 -179.4(18) . . . . ?
Al1 O1_2 C47_2 C49_2 -60(2) . . . . ?
Al1 O1_2 C47_2 C50_2 59(2) . . . . ?
Al2 O1_1 C47_1 C48_1 51.1(17) . . . . ?
Al2 O1_1 C47_1 C49_1 168.8(12) . . . . ?
Al2 O1_1 C47_1 C50_1 -61.0(17) . . . . ?
Al2 O1_3 C47_3 C48_3 -58.5(15) . . . . ?
Al2 O1_3 C47_3 C49_3 61.6(14) . . . . ?
Al2 O1_3 C47_3 C50_3 -178.2(10) . . . . ?
Al2 O1_5 C47_5 C48_5 -36(6) . . . . ?
Al2 O1_5 C47_5 C49_5 93(6) . . . . ?
Al2 O1_5 C47_5 C50_5 -154(5) . . . . ?
Al2 O1_19 C47_19 C48_19 70(4) . . . . ?
Al2 O1_19 C47_19 C49_19 -174(4) . . . . ?
Al2 O1_19 C47_19 C50_19 -48(4) . . . . ?
Al3 O1_7 C47_7 C48_7 66(5) . . . . ?
Al3 O1_7 C47_7 C49_7 -168(5) . . . . ?
Al3 O1_7 C47_7 C50_7 -51(5) . . . . ?
Al3 O1_9 C47_9 C48_9 -174(5) . . . . ?
Al3 O1_9 C47_9 C49_9 -51(6) . . . . ?
Al3 O1_9 C47_9 C50_9 65(6) . . . . ?
Al3 O1_12 C47_12 C48_12 164(3) . . . . ?
Al3 O1_12 C47_12 C49_12 -76(3) . . . . ?
Al3 O1_12 C47_12 C50_12 47(3) . . . . ?
Al3 O1_13 C47_13 C48_13 -75(2) . . . . ?
Al3 O1_13 C47_13 C49_13 48(2) . . . . ?
Al3 O1_13 C47_13 C50_13 165.9(15) . . . . ?
Al3 O1_14 C47_14 C48_14 -72(2) . . . . ?
Al3 O1_14 C47_14 C49_14 46(2) . . . . ?
Al3 O1_14 C47_14 C50_14 172.1(19) . . . . ?
Al3 O1_17 C47_17 C48_17 -69(3) . . . . ?
Al3 O1_17 C47_17 C49_17 49(4) . . . . ?
Al3 O1_17 C47_17 C50_17 169(3) . . . . ?
Al4 O1_8 C47_8 C48_8 -88.9(17) . . . . ?
Al4 O1_8 C47_8 C49_8 31.1(19) . . . . ?
Al4 O1_8 C47_8 C50_8 152.5(15) . . . . ?
Al4 O1_10 C47_10 C48_10 -2(9) . . . . ?
Al4 O1_10 C47_10 C49_10 122(9) . . . . ?
Al4 O1_10 C47_10 C50_10 -119(8) . . . . ?
Al4 O1_11 C47_11 C48_11 -60(4) . . . . ?
Al4 O1_11 C47_11 C49_11 64(4) . . . . ?
Al4 O1_11 C47_11 C50_11 -171(4) . . . . ?
Al4 O1_15 C47_15 C48_15 175(2) . . . . ?
Al4 O1_15 C47_15 C49_15 -63(3) . . . . ?
Al4 O1_15 C47_15 C50_15 58(3) . . . . ?
Al4 O1_16 C47_16 C48_16 102(3) . . . . ?
Al4 O1_16 C47_16 C49_16 -137(3) . . . . ?
Al4 O1_16 C47_16 C50_16 -21(4) . . . . ?
F1 C11 C12 C13 178.4(6) . . . . ?
F1 C11 C16 C15 -177.0(7) . . . . ?
F2 C17 C18 C19 -179.6(7) . . . . ?
F2 C17 C22 C21 179.7(7) . . . . ?
F3 C23 C24 C25 -178.8(7) . . . . ?
F3 C23 C28 C27 178.6(7) . . . . ?
F4 C29 C30 C31 179.7(6) . . . . ?
F4 C29 C34 C33 -179.7(6) . . . . ?
F5 C35 C36 C37 -179.2(8) . . . . ?
F5 C35 C40 C39 179.7(7) . . . . ?
F6 C41 C42 C43 178.0(7) . . . . ?
F6 C41 C46 C45 -178.8(7) . . . . ?
F7 Al1 O1_4 C47_4 83(5) . . . . ?
F7 Al1 O1_6 C47_6 112(3) . . . . ?
F7 Al1 O1_18 C47_18 -86(3) . . . . ?
F7 Al1 O1_20 C47_20 -149(3) . . . . ?
F7 Al1 O1_21 C47_21 -122(2) . . . . ?
F7 Al1 O1_2 C47_2 95(2) . . . . ?
F7 Al2 O1_1 C47_1 -119.3(14) . . . . ?
F7 Al2 O1_3 C47_3 -121.6(12) . . . . ?
F7 Al2 O1_5 C47_5 -56(6) . . . . ?
F7 Al2 O1_19 C47_19 -130(4) . . . . ?
F8 Al3 O1_7 C47_7 -102(5) . . . . ?
F8 Al3 O1_9 C47_9 -105(6) . . . . ?
F8 Al3 O1_12 C47_12 -124(3) . . . . ?
F8 Al3 O1_13 C47_13 117.8(18) . . . . ?
F8 Al3 O1_14 C47_14 166(2) . . . . ?
F8 Al3 O1_17 C47_17 40(3) . . . . ?
F8 Al4 O1_8 C47_8 134.7(16) . . . . ?
F8 Al4 O1_10 C47_10 158(9) . . . . ?
F8 Al4 O1_11 C47_11 106(4) . . . . ?
F8 Al4 O1_15 C47_15 20(3) . . . . ?
F8 Al4 O1_16 C47_16 -150(3) . . . . ?
F9 C50 C51 C52 -179.2(9) . . . . ?
C1 C2 C3 Dy1 67.2(4) . . . . ?
C1 C2 C3 C4 0.0(6) . . . . ?
C1 C2 C3 C8 -175.1(5) . . . . ?
C2 C1 C5 Dy1 -67.0(4) . . . . ?
C2 C1 C5 C4 0.2(6) . . . . ?
C2 C1 C5 C10 173.2(5) . . . . ?
C2 C3 C4 Dy1 66.2(4) . . . . ?
C2 C3 C4 C5 0.1(6) . . . . ?
C2 C3 C4 C9 -175.9(6) . . . . ?
C3 C4 C5 Dy1 66.3(4) . . . . ?
C3 C4 C5 C1 -0.2(6) . . . . ?
C3 C4 C5 C10 -173.1(6) . . . . ?
C5 C1 C2 Dy1 67.4(4) . . . . ?
C5 C1 C2 C3 -0.1(6) . . . . ?
C5 C1 C2 C7 -173.8(5) . . . . ?
C6 C1 C2 Dy1 -119.8(6) . . . . ?
C6 C1 C2 C3 172.7(6) . . . . ?
C6 C1 C2 C7 -1.0(9) . . . . ?
C6 C1 C5 Dy1 120.1(6) . . . . ?
C6 C1 C5 C4 -172.7(6) . . . . ?
C6 C1 C5 C10 0.3(9) . . . . ?
C7 C2 C3 Dy1 -118.9(5) . . . . ?
C7 C2 C3 C4 173.8(5) . . . . ?
C7 C2 C3 C8 -1.3(9) . . . . ?
C8 C3 C4 Dy1 -118.6(5) . . . . ?
C8 C3 C4 C5 175.4(5) . . . . ?
C8 C3 C4 C9 -0.7(9) . . . . ?
C9 C4 C5 Dy1 -117.6(6) . . . . ?
C9 C4 C5 C1 175.8(6) . . . . ?
C9 C4 C5 C10 2.9(10) . . . . ?
C11 C12 C13 C14 -0.6(13) . . . . ?
C12 C11 C16 C15 3.2(12) . . . . ?
C12 C13 C14 C15 1.6(17) . . . . ?
C13 C14 C15 C16 -0.1(18) . . . . ?
C14 C15 C16 C11 -2.2(15) . . . . ?
C16 C11 C12 C13 -1.9(11) . . . . ?
C17 C18 C19 C20 -1.7(15) . . . . ?
C18 C17 C22 C21 -1.7(12) . . . . ?
C18 C19 C20 C21 1.6(17) . . . . ?
C19 C20 C21 C22 -1.6(18) . . . . ?
C20 C21 C22 C17 1.5(15) . . . . ?
C22 C17 C18 C19 1.8(12) . . . . ?
C23 C24 C25 C26 0.5(13) . . . . ?
C24 C23 C28 C27 -1.4(12) . . . . ?
C24 C25 C26 C27 -1.9(17) . . . . ?
C25 C26 C27 C28 1.8(19) . . . . ?
C26 C27 C28 C23 -0.1(16) . . . . ?
C28 C23 C24 C25 1.2(13) . . . . ?
C29 C30 C31 C32 0.0 . . . . ?
C30 C29 C34 C33 0.0 . . . . ?
C30 C31 C32 C33 0.0 . . . . ?
C31 C32 C33 C34 0.0 . . . . ?
C32 C33 C34 C29 0.0 . . . . ?
C34 C29 C30 C31 0.0 . . . . ?
C35 C36 C37 C38 -1.9(16) . . . . ?
C36 C35 C40 C39 -2.7(12) . . . . ?
C36 C37 C38 C39 0.2(19) . . . . ?
C37 C38 C39 C40 0.3(18) . . . . ?
C38 C39 C40 C35 0.8(14) . . . . ?
C40 C35 C36 C37 3.3(13) . . . . ?
C41 C42 C43 C44 1.4(14) . . . . ?
C42 C41 C46 C45 1.2(12) . . . . ?
C42 C43 C44 C45 -0.3(18) . . . . ?
C43 C44 C45 C46 -0.4(19) . . . . ?
C44 C45 C46 C41 0.1(16) . . . . ?
C46 C41 C42 C43 -2.0(12) . . . . ?
C47 C48 C49 C50 0.0 . . . . ?
C48 C47 C52 C51 0.0 . . . . ?
C48 C49 C50 F9 179.2(9) . . . . ?
C48 C49 C50 C51 0.0 . . . . ?
C49 C50 C51 C52 0.0 . . . . ?
C50 C51 C52 C47 0.0 . . . . ?
C52 C47 C48 C49 0.0 . . . . ?
C53 C54 C55 C56 -94(5) . . . . ?
C54 C55 C56 C57 -156(4) . . . . ?
C55 C56 C57 C58 173(4) . . . . ?
O1_1 Al2 O1_3 C47_3 125.4(12) . . . . ?
O1_1 Al2 O1_5 C47_5 60(6) . . . . ?
O1_1 Al2 O1_19 C47_19 -19(4) . . . . ?
O1_1 C47_1 C48_1 F7_1 153.2(11) . . . . ?
O1_1 C47_1 C48_1 F8_1 -73.6(11) . . . . ?
O1_1 C47_1 C48_1 F9_1 40.2(12) . . . . ?
O1_1 C47_1 C49_1 F10_1 171.8(10) . . . . ?
O1_1 C47_1 C49_1 F11_1 -70.7(12) . . . . ?
O1_1 C47_1 C49_1 F12_1 50.5(13) . . . . ?
O1_1 C47_1 C50_1 F13_1 159.5(10) . . . . ?
O1_1 C47_1 C50_1 F14_1 -83.8(14) . . . . ?
O1_1 C47_1 C50_1 F15_1 38.7(16) . . . . ?
C48_1 C47_1 C49_1 F10_1 -70.4(13) . . . . ?
C48_1 C47_1 C49_1 F11_1 47.1(12) . . . . ?
C48_1 C47_1 C49_1 F12_1 168.3(12) . . . . ?
C48_1 C47_1 C50_1 F13_1 44.0(12) . . . . ?
C48_1 C47_1 C50_1 F14_1 160.7(13) . . . . ?
C48_1 C47_1 C50_1 F15_1 -76.8(14) . . . . ?
C49_1 C47_1 C48_1 F7_1 31.6(14) . . . . ?
C49_1 C47_1 C48_1 F8_1 164.8(10) . . . . ?
C49_1 C47_1 C48_1 F9_1 -81.4(11) . . . . ?
C49_1 C47_1 C50_1 F13_1 -69.7(13) . . . . ?
C49_1 C47_1 C50_1 F14_1 47.0(15) . . . . ?
C49_1 C47_1 C50_1 F15_1 169.5(13) . . . . ?
C50_1 C47_1 C48_1 F7_1 -85.6(13) . . . . ?
C50_1 C47_1 C48_1 F8_1 47.6(12) . . . . ?
C50_1 C47_1 C48_1 F9_1 161.4(11) . . . . ?
C50_1 C47_1 C49_1 F10_1 39.9(14) . . . . ?
C50_1 C47_1 C49_1 F11_1 157.4(10) . . . . ?
C50_1 C47_1 C49_1 F12_1 -81.4(13) . . . . ?
O1_3 Al2 O1_1 C47_1 -6.5(15) . . . . ?
O1_3 Al2 O1_5 C47_5 -172(6) . . . . ?
O1_3 Al2 O1_19 C47_19 118(4) . . . . ?
O1_3 C47_3 C48_3 F7_3 167.5(10) . . . . ?
O1_3 C47_3 C48_3 F8_3 -76.0(10) . . . . ?
O1_3 C47_3 C48_3 F9_3 34.1(14) . . . . ?
O1_3 C47_3 C49_3 F10_3 164.5(10) . . . . ?
O1_3 C47_3 C49_3 F11_3 43.0(11) . . . . ?
O1_3 C47_3 C49_3 F12_3 -78.5(10) . . . . ?
O1_3 C47_3 C50_3 F13_3 163.9(9) . . . . ?
O1_3 C47_3 C50_3 F14_3 -77.5(11) . . . . ?
O1_3 C47_3 C50_3 F15_3 47.5(12) . . . . ?
C48_3 C47_3 C49_3 F10_3 -74.4(12) . . . . ?
C48_3 C47_3 C49_3 F11_3 164.0(9) . . . . ?
C48_3 C47_3 C49_3 F12_3 42.6(11) . . . . ?
C48_3 C47_3 C50_3 F13_3 43.5(12) . . . . ?
C48_3 C47_3 C50_3 F14_3 162.1(10) . . . . ?
C48_3 C47_3 C50_3 F15_3 -72.8(12) . . . . ?
C49_3 C47_3 C48_3 F7_3 46.4(12) . . . . ?
C49_3 C47_3 C48_3 F8_3 162.9(9) . . . . ?
C49_3 C47_3 C48_3 F9_3 -86.9(12) . . . . ?
C49_3 C47_3 C50_3 F13_3 -75.5(12) . . . . ?
C49_3 C47_3 C50_3 F14_3 43.1(11) . . . . ?
C49_3 C47_3 C50_3 F15_3 168.2(10) . . . . ?
C50_3 C47_3 C48_3 F7_3 -73.2(13) . . . . ?
C50_3 C47_3 C48_3 F8_3 43.3(11) . . . . ?
C50_3 C47_3 C48_3 F9_3 153.5(11) . . . . ?
C50_3 C47_3 C49_3 F10_3 44.9(12) . . . . ?
C50_3 C47_3 C49_3 F11_3 -76.6(11) . . . . ?
C50_3 C47_3 C49_3 F12_3 161.9(9) . . . . ?
O1_4 Al1 O1_6 C47_6 -129(3) . . . . ?
O1_4 Al1 O1_2 C47_2 -28(3) . . . . ?
O1_4 C47_4 C48_4 F7_4 -162(2) . . . . ?
O1_4 C47_4 C48_4 F8_4 -43.7(19) . . . . ?
O1_4 C47_4 C48_4 F9_4 71.2(19) . . . . ?
O1_4 C47_4 C49_4 F10_4 -152.7(18) . . . . ?
O1_4 C47_4 C49_4 F11_4 78.1(19) . . . . ?
O1_4 C47_4 C49_4 F12_4 -36.7(18) . . . . ?
O1_4 C47_4 C50_4 F13_4 -168.6(19) . . . . ?
O1_4 C47_4 C50_4 F14_4 -48(2) . . . . ?
O1_4 C47_4 C50_4 F15_4 75(2) . . . . ?
C48_4 C47_4 C49_4 F10_4 -28.1(18) . . . . ?
C48_4 C47_4 C49_4 F11_4 -157.3(15) . . . . ?
C48_4 C47_4 C49_4 F12_4 87.9(15) . . . . ?
C48_4 C47_4 C50_4 F13_4 71.1(18) . . . . ?
C48_4 C47_4 C50_4 F14_4 -168.6(17) . . . . ?
C48_4 C47_4 C50_4 F15_4 -45.8(19) . . . . ?
C49_4 C47_4 C48_4 F7_4 73(2) . . . . ?
C49_4 C47_4 C48_4 F8_4 -168.6(15) . . . . ?
C49_4 C47_4 C48_4 F9_4 -53.7(17) . . . . ?
C49_4 C47_4 C50_4 F13_4 -45.8(19) . . . . ?
C49_4 C47_4 C50_4 F14_4 74.5(18) . . . . ?
C49_4 C47_4 C50_4 F15_4 -162.7(17) . . . . ?
C50_4 C47_4 C48_4 F7_4 -45(2) . . . . ?
C50_4 C47_4 C48_4 F8_4 73.3(17) . . . . ?
C50_4 C47_4 C48_4 F9_4 -171.8(15) . . . . ?
C50_4 C47_4 C49_4 F10_4 87.9(17) . . . . ?
C50_4 C47_4 C49_4 F11_4 -41.4(18) . . . . ?
C50_4 C47_4 C49_4 F12_4 -156.1(14) . . . . ?
O1_5 Al2 O1_1 C47_1 120.5(17) . . . . ?
O1_5 Al2 O1_3 C47_3 -0.3(17) . . . . ?
O1_5 C47_5 C48_5 F7_5 -170(2) . . . . ?
O1_5 C47_5 C48_5 F8_5 -52(2) . . . . ?
O1_5 C47_5 C48_5 F9_5 63(2) . . . . ?
O1_5 C47_5 C49_5 F10_5 29(2) . . . . ?
O1_5 C47_5 C49_5 F11_5 -112(2) . . . . ?
O1_5 C47_5 C49_5 F12_5 138(2) . . . . ?
O1_5 C47_5 C50_5 F13_5 180(2) . . . . ?
O1_5 C47_5 C50_5 F14_5 -64(2) . . . . ?
O1_5 C47_5 C50_5 F15_5 61(2) . . . . ?
C48_5 C47_5 C49_5 F10_5 155.9(17) . . . . ?
C48_5 C47_5 C49_5 F11_5 15(2) . . . . ?
C48_5 C47_5 C49_5 F12_5 -95(2) . . . . ?
C48_5 C47_5 C50_5 F13_5 59.2(18) . . . . ?
C48_5 C47_5 C50_5 F14_5 175.1(15) . . . . ?
C48_5 C47_5 C50_5 F15_5 -59.8(18) . . . . ?
C49_5 C47_5 C48_5 F7_5 63(3) . . . . ?
C49_5 C47_5 C48_5 F8_5 -179.2(17) . . . . ?
C49_5 C47_5 C48_5 F9_5 -64(2) . . . . ?
C49_5 C47_5 C50_5 F13_5 -61.1(18) . . . . ?
C49_5 C47_5 C50_5 F14_5 54.8(17) . . . . ?
C49_5 C47_5 C50_5 F15_5 179.9(16) . . . . ?
C50_5 C47_5 C48_5 F7_5 -51(2) . . . . ?
C50_5 C47_5 C48_5 F8_5 67.3(18) . . . . ?
C50_5 C47_5 C48_5 F9_5 -177.9(19) . . . . ?
C50_5 C47_5 C49_5 F10_5 -87.7(18) . . . . ?
C50_5 C47_5 C49_5 F11_5 131.2(17) . . . . ?
C50_5 C47_5 C49_5 F12_5 21(2) . . . . ?
O1_6 Al1 O1_4 C47_4 -31(5) . . . . ?
O1_6 Al1 O1_2 C47_2 -154(2) . . . . ?
O1_6 C47_6 C48_6 F7_6 151.9(17) . . . . ?
O1_6 C47_6 C48_6 F8_6 -79.8(15) . . . . ?
O1_6 C47_6 C48_6 F9_6 27.9(17) . . . . ?
O1_6 C47_6 C49_6 F10_6 164.6(17) . . . . ?
O1_6 C47_6 C49_6 F11_6 -71(2) . . . . ?
O1_6 C47_6 C49_6 F12_6 44(2) . . . . ?
O1_6 C47_6 C50_6 F13_6 156.2(15) . . . . ?
O1_6 C47_6 C50_6 F14_6 -87.3(18) . . . . ?
O1_6 C47_6 C50_6 F15_6 42.6(17) . . . . ?
C48_6 C47_6 C49_6 F10_6 -68.6(18) . . . . ?
C48_6 C47_6 C49_6 F11_6 56(2) . . . . ?
C48_6 C47_6 C49_6 F12_6 171.3(17) . . . . ?
C48_6 C47_6 C50_6 F13_6 33.7(18) . . . . ?
C48_6 C47_6 C50_6 F14_6 150.3(17) . . . . ?
C48_6 C47_6 C50_6 F15_6 -79.9(17) . . . . ?
C49_6 C47_6 C48_6 F7_6 26(2) . . . . ?
C49_6 C47_6 C48_6 F8_6 154.6(13) . . . . ?
C49_6 C47_6 C48_6 F9_6 -97.7(16) . . . . ?
C49_6 C47_6 C50_6 F13_6 -85.1(17) . . . . ?
C49_6 C47_6 C50_6 F14_6 31.5(19) . . . . ?
C49_6 C47_6 C50_6 F15_6 161.3(15) . . . . ?
C50_6 C47_6 C48_6 F7_6 -89.2(18) . . . . ?
C50_6 C47_6 C48_6 F8_6 39.1(16) . . . . ?
C50_6 C47_6 C48_6 F9_6 146.8(14) . . . . ?
C50_6 C47_6 C49_6 F10_6 48.2(19) . . . . ?
C50_6 C47_6 C49_6 F11_6 172.8(19) . . . . ?
C50_6 C47_6 C49_6 F12_6 -72.0(19) . . . . ?
O1_7 Al3 O1_9 C47_9 10(6) . . . . ?
O1_7 Al3 O1_12 C47_12 125(3) . . . . ?
O1_7 C47_7 C48_7 F7_7 -166(2) . . . . ?
O1_7 C47_7 C48_7 F8_7 -48(2) . . . . ?
O1_7 C47_7 C48_7 F9_7 77(2) . . . . ?
O1_7 C47_7 C49_7 F10_7 -171.0(19) . . . . ?
O1_7 C47_7 C49_7 F11_7 66(2) . . . . ?
O1_7 C47_7 C49_7 F12_7 -54(2) . . . . ?
O1_7 C47_7 C50_7 F13_7 -161.2(19) . . . . ?
O1_7 C47_7 C50_7 F14_7 -48.4(19) . . . . ?
O1_7 C47_7 C50_7 F15_7 79(2) . . . . ?
C48_7 C47_7 C49_7 F10_7 -42.0(19) . . . . ?
C48_7 C47_7 C49_7 F11_7 -165.1(17) . . . . ?
C48_7 C47_7 C49_7 F12_7 75(2) . . . . ?
C48_7 C47_7 C50_7 F13_7 76.6(19) . . . . ?
C48_7 C47_7 C50_7 F14_7 -170.6(15) . . . . ?
C48_7 C47_7 C50_7 F15_7 -43.0(19) . . . . ?
C49_7 C47_7 C48_7 F7_7 63(2) . . . . ?
C49_7 C47_7 C48_7 F8_7 -178.1(17) . . . . ?
C49_7 C47_7 C48_7 F9_7 -53.8(19) . . . . ?
C49_7 C47_7 C50_7 F13_7 -36.7(19) . . . . ?
C49_7 C47_7 C50_7 F14_7 76.1(17) . . . . ?
C49_7 C47_7 C50_7 F15_7 -156.3(17) . . . . ?
C50_7 C47_7 C48_7 F7_7 -48(2) . . . . ?
C50_7 C47_7 C48_7 F8_7 70.6(18) . . . . ?
C50_7 C47_7 C48_7 F9_7 -165.1(17) . . . . ?
C50_7 C47_7 C49_7 F10_7 70.4(18) . . . . ?
C50_7 C47_7 C49_7 F11_7 -52.8(18) . . . . ?
C50_7 C47_7 C49_7 F12_7 -172.6(19) . . . . ?
O1_8 Al4 O1_10 C47_10 -90(9) . . . . ?
O1_8 Al4 O1_11 C47_11 -10(5) . . . . ?
O1_8 Al4 O1_15 C47_15 135(2) . . . . ?
O1_8 Al4 O1_16 C47_16 102(3) . . . . ?
O1_8 C47_8 C48_8 F7_8 -179.4(8) . . . . ?
O1_8 C47_8 C48_8 F8_8 -59.1(9) . . . . ?
O1_8 C47_8 C48_8 F9_8 55.4(11) . . . . ?
O1_8 C47_8 C49_8 F10_8 -65.8(9) . . . . ?
O1_8 C47_8 C49_8 F11_8 172.5(7) . . . . ?
O1_8 C47_8 C49_8 F12_8 52.1(10) . . . . ?
O1_8 C47_8 C50_8 F13_8 179.3(8) . . . . ?
O1_8 C47_8 C50_8 F14_8 -61.6(9) . . . . ?
O1_8 C47_8 C50_8 F15_8 61.0(10) . . . . ?
C48_8 C47_8 C49_8 F10_8 56.1(8) . . . . ?
C48_8 C47_8 C49_8 F11_8 -65.6(9) . . . . ?
C48_8 C47_8 C49_8 F12_8 173.9(8) . . . . ?
C48_8 C47_8 C50_8 F13_8 59.2(10) . . . . ?
C48_8 C47_8 C50_8 F14_8 178.3(8) . . . . ?
C48_8 C47_8 C50_8 F15_8 -59.1(10) . . . . ?
C49_8 C47_8 C48_8 F7_8 58.7(10) . . . . ?
C49_8 C47_8 C48_8 F8_8 178.9(8) . . . . ?
C49_8 C47_8 C48_8 F9_8 -66.6(10) . . . . ?
C49_8 C47_8 C50_8 F13_8 -59.1(10) . . . . ?
C49_8 C47_8 C50_8 F14_8 60.0(10) . . . . ?
C49_8 C47_8 C50_8 F15_8 -177.4(8) . . . . ?
C50_8 C47_8 C48_8 F7_8 -61.4(10) . . . . ?
C50_8 C47_8 C48_8 F8_8 58.8(9) . . . . ?
C50_8 C47_8 C48_8 F9_8 173.3(9) . . . . ?
C50_8 C47_8 C49_8 F10_8 174.8(7) . . . . ?
C50_8 C47_8 C49_8 F11_8 53.1(9) . . . . ?
C50_8 C47_8 C49_8 F12_8 -67.4(9) . . . . ?
O1_9 Al3 O1_7 C47_7 141(5) . . . . ?
O1_9 Al3 O1_12 C47_12 -4(3) . . . . ?
O1_9 C47_9 C48_9 F7_9 -165.1(16) . . . . ?
O1_9 C47_9 C48_9 F8_9 -42(2) . . . . ?
O1_9 C47_9 C48_9 F9_9 73.9(18) . . . . ?
O1_9 C47_9 C49_9 F10_9 93(2) . . . . ?
O1_9 C47_9 C49_9 F11_9 -143(2) . . . . ?
O1_9 C47_9 C49_9 F12_9 -23(2) . . . . ?
O1_9 C47_9 C50_9 F13_9 -160(2) . . . . ?
O1_9 C47_9 C50_9 F14_9 -44(2) . . . . ?
O1_9 C47_9 C50_9 F15_9 84(2) . . . . ?
C48_9 C47_9 C49_9 F10_9 -141.7(17) . . . . ?
C48_9 C47_9 C49_9 F11_9 -18(2) . . . . ?
C48_9 C47_9 C49_9 F12_9 102.4(19) . . . . ?
C48_9 C47_9 C50_9 F13_9 77.4(19) . . . . ?
C48_9 C47_9 C50_9 F14_9 -166.4(18) . . . . ?
C48_9 C47_9 C50_9 F15_9 -38.3(19) . . . . ?
C49_9 C47_9 C48_9 F7_9 70.3(17) . . . . ?
C49_9 C47_9 C48_9 F8_9 -166.7(16) . . . . ?
C49_9 C47_9 C48_9 F9_9 -50.7(17) . . . . ?
C49_9 C47_9 C50_9 F13_9 -41(2) . . . . ?
C49_9 C47_9 C50_9 F14_9 75.7(19) . . . . ?
C49_9 C47_9 C50_9 F15_9 -156.2(17) . . . . ?
C50_9 C47_9 C48_9 F7_9 -45.2(18) . . . . ?
C50_9 C47_9 C48_9 F8_9 77.7(18) . . . . ?
C50_9 C47_9 C48_9 F9_9 -166.2(15) . . . . ?
C50_9 C47_9 C49_9 F10_9 -24.1(18) . . . . ?
C50_9 C47_9 C49_9 F11_9 99(2) . . . . ?
C50_9 C47_9 C49_9 F12_9 -139.9(19) . . . . ?
O1_10 Al4 O1_8 C47_8 25.1(19) . . . . ?
O1_10 Al4 O1_11 C47_11 -150(4) . . . . ?
O1_10 C47_10 C48_10 F7_10 177(2) . . . . ?
O1_10 C47_10 C48_10 F8_10 -63(2) . . . . ?
O1_10 C47_10 C48_10 F9_10 46(2) . . . . ?
O1_10 C47_10 C49_10 F10_10 174.8(19) . . . . ?
O1_10 C47_10 C49_10 F11_10 48(2) . . . . ?
O1_10 C47_10 C49_10 F12_10 -64(2) . . . . ?
O1_10 C47_10 C50_10 F13_10 180(2) . . . . ?
O1_10 C47_10 C50_10 F14_10 -57(2) . . . . ?
O1_10 C47_10 C50_10 F15_10 64(2) . . . . ?
C48_10 C47_10 C49_10 F10_10 -61(2) . . . . ?
C48_10 C47_10 C49_10 F11_10 171.9(19) . . . . ?
C48_10 C47_10 C49_10 F12_10 60(2) . . . . ?
C48_10 C47_10 C50_10 F13_10 62(2) . . . . ?
C48_10 C47_10 C50_10 F14_10 -174.7(18) . . . . ?
C48_10 C47_10 C50_10 F15_10 -54(2) . . . . ?
C49_10 C47_10 C48_10 F7_10 49(2) . . . . ?
C49_10 C47_10 C48_10 F8_10 169.5(19) . . . . ?
C49_10 C47_10 C48_10 F9_10 -81(2) . . . . ?
C49_10 C47_10 C50_10 F13_10 -56(2) . . . . ?
C49_10 C47_10 C50_10 F14_10 66.9(19) . . . . ?
C49_10 C47_10 C50_10 F15_10 -172.1(19) . . . . ?
C50_10 C47_10 C48_10 F7_10 -68(2) . . . . ?
C50_10 C47_10 C48_10 F8_10 52(2) . . . . ?
C50_10 C47_10 C48_10 F9_10 161.5(19) . . . . ?
C50_10 C47_10 C49_10 F10_10 57(2) . . . . ?
C50_10 C47_10 C49_10 F11_10 -70(2) . . . . ?
C50_10 C47_10 C49_10 F12_10 178.1(18) . . . . ?
O1_11 Al4 O1_8 C47_8 -108.7(19) . . . . ?
O1_11 Al4 O1_10 C47_10 50(9) . . . . ?
O1_11 C47_11 C48_11 F7_11 168(2) . . . . ?
O1_11 C47_11 C48_11 F8_11 -74(2) . . . . ?
O1_11 C47_11 C48_11 F9_11 38(2) . . . . ?
O1_11 C47_11 C49_11 F10_11 172.1(19) . . . . ?
O1_11 C47_11 C49_11 F11_11 44(2) . . . . ?
O1_11 C47_11 C49_11 F12_11 -78(2) . . . . ?
O1_11 C47_11 C50_11 F13_11 57.7(19) . . . . ?
O1_11 C47_11 C50_11 F14_11 166.2(17) . . . . ?
O1_11 C47_11 C50_11 F15_11 -59(2) . . . . ?
C48_11 C47_11 C49_11 F10_11 -66(2) . . . . ?
C48_11 C47_11 C49_11 F11_11 167(2) . . . . ?
C48_11 C47_11 C49_11 F12_11 44.2(19) . . . . ?
C48_11 C47_11 C50_11 F13_11 -53.9(18) . . . . ?
C48_11 C47_11 C50_11 F14_11 54.5(17) . . . . ?
C48_11 C47_11 C50_11 F15_11 -170.2(19) . . . . ?
C49_11 C47_11 C48_11 F7_11 39(2) . . . . ?
C49_11 C47_11 C48_11 F8_11 157.5(18) . . . . ?
C49_11 C47_11 C48_11 F9_11 -90(2) . . . . ?
C49_11 C47_11 C50_11 F13_11 -174.6(17) . . . . ?
C49_11 C47_11 C50_11 F14_11 -66.2(18) . . . . ?
C49_11 C47_11 C50_11 F15_11 69(2) . . . . ?
C50_11 C47_11 C48_11 F7_11 -83(2) . . . . ?
C50_11 C47_11 C48_11 F8_11 35(2) . . . . ?
C50_11 C47_11 C48_11 F9_11 147.0(18) . . . . ?
C50_11 C47_11 C49_11 F10_11 52(2) . . . . ?
C50_11 C47_11 C49_11 F11_11 -76(2) . . . . ?
C50_11 C47_11 C49_11 F12_11 161.9(16) . . . . ?
O1_12 Al3 O1_7 C47_7 7(5) . . . . ?
O1_12 Al3 O1_9 C47_9 137(6) . . . . ?
O1_12 C47_12 C48_12 F7_12 137.5(19) . . . . ?
O1_12 C47_12 C48_12 F8_12 -95.0(16) . . . . ?
O1_12 C47_12 C48_12 F9_12 16.1(16) . . . . ?
O1_12 C47_12 C49_12 F10_12 159.9(17) . . . . ?
O1_12 C47_12 C49_12 F11_12 29(2) . . . . ?
O1_12 C47_12 C49_12 F12_12 -85.1(19) . . . . ?
O1_12 C47_12 C50_12 F13_12 167.9(17) . . . . ?
O1_12 C47_12 C50_12 F14_12 -78.4(17) . . . . ?
O1_12 C47_12 C50_12 F15_12 47(2) . . . . ?
C48_12 C47_12 C49_12 F10_12 -88.1(18) . . . . ?
C48_12 C47_12 C49_12 F11_12 140.7(17) . . . . ?
C48_12 C47_12 C49_12 F12_12 27(2) . . . . ?
C48_12 C47_12 C50_12 F13_12 58.6(19) . . . . ?
C48_12 C47_12 C50_12 F14_12 172.3(15) . . . . ?
C48_12 C47_12 C50_12 F15_12 -63(2) . . . . ?
C49_12 C47_12 C48_12 F7_12 18(2) . . . . ?
C49_12 C47_12 C48_12 F8_12 145.6(15) . . . . ?
C49_12 C47_12 C48_12 F9_12 -103.3(16) . . . . ?
C49_12 C47_12 C50_12 F13_12 -68.2(19) . . . . ?
C49_12 C47_12 C50_12 F14_12 45.5(18) . . . . ?
C49_12 C47_12 C50_12 F15_12 170.7(18) . . . . ?
C50_12 C47_12 C48_12 F7_12 -107(2) . . . . ?
C50_12 C47_12 C48_12 F8_12 20.4(18) . . . . ?
C50_12 C47_12 C48_12 F9_12 131.5(15) . . . . ?
C50_12 C47_12 C49_12 F10_12 37.5(19) . . . . ?
C50_12 C47_12 C49_12 F11_12 -93.7(19) . . . . ?
C50_12 C47_12 C49_12 F12_12 152.6(18) . . . . ?
O1_13 Al3 O1_14 C47_14 57(2) . . . . ?
O1_13 Al3 O1_17 C47_17 156(3) . . . . ?
O1_13 C47_13 C48_13 F7_13 -166.3(14) . . . . ?
O1_13 C47_13 C48_13 F8_13 -48.5(16) . . . . ?
O1_13 C47_13 C48_13 F9_13 69.7(15) . . . . ?
O1_13 C47_13 C49_13 F10_13 58.1(15) . . . . ?
O1_13 C47_13 C49_13 F11_13 -75.6(13) . . . . ?
O1_13 C47_13 C49_13 F12_13 171.8(12) . . . . ?
O1_13 C47_13 C50_13 F13_13 170.8(11) . . . . ?
O1_13 C47_13 C50_13 F14_13 -74.9(13) . . . . ?
O1_13 C47_13 C50_13 F15_13 47.8(14) . . . . ?
C48_13 C47_13 C49_13 F10_13 -172.5(14) . . . . ?
C48_13 C47_13 C49_13 F11_13 53.8(13) . . . . ?
C48_13 C47_13 C49_13 F12_13 -58.8(14) . . . . ?
C48_13 C47_13 C50_13 F13_13 44.1(13) . . . . ?
C48_13 C47_13 C50_13 F14_13 158.4(12) . . . . ?
C48_13 C47_13 C50_13 F15_13 -79.0(13) . . . . ?
C49_13 C47_13 C48_13 F7_13 68.4(16) . . . . ?
C49_13 C47_13 C48_13 F8_13 -173.9(14) . . . . ?
C49_13 C47_13 C48_13 F9_13 -55.7(15) . . . . ?
C49_13 C47_13 C50_13 F13_13 -69.1(12) . . . . ?
C49_13 C47_13 C50_13 F14_13 45.2(13) . . . . ?
C49_13 C47_13 C50_13 F15_13 167.9(12) . . . . ?
C50_13 C47_13 C48_13 F7_13 -46.2(16) . . . . ?
C50_13 C47_13 C48_13 F8_13 71.6(15) . . . . ?
C50_13 C47_13 C48_13 F9_13 -170.3(13) . . . . ?
C50_13 C47_13 C49_13 F10_13 -59.6(15) . . . . ?
C50_13 C47_13 C49_13 F11_13 166.6(11) . . . . ?
C50_13 C47_13 C49_13 F12_13 54.0(14) . . . . ?
O1_14 Al3 O1_13 C47_13 -138.2(18) . . . . ?
O1_14 Al3 O1_17 C47_17 -72(3) . . . . ?
O1_14 C47_14 C48_14 F7_14 -155.8(12) . . . . ?
O1_14 C47_14 C48_14 F8_14 -34.7(14) . . . . ?
O1_14 C47_14 C48_14 F9_14 82.3(12) . . . . ?
O1_14 C47_14 C49_14 F10_14 -177.0(15) . . . . ?
O1_14 C47_14 C49_14 F11_14 -53.0(15) . . . . ?
O1_14 C47_14 C49_14 F12_14 62.8(15) . . . . ?
O1_14 C47_14 C50_14 F13_14 -166.3(13) . . . . ?
O1_14 C47_14 C50_14 F14_14 -48.1(14) . . . . ?
O1_14 C47_14 C50_14 F15_14 74.6(14) . . . . ?
C48_14 C47_14 C49_14 F10_14 -56.3(16) . . . . ?
C48_14 C47_14 C49_14 F11_14 67.8(14) . . . . ?
C48_14 C47_14 C49_14 F12_14 -176.5(12) . . . . ?
C48_14 C47_14 C50_14 F13_14 74.8(14) . . . . ?
C48_14 C47_14 C50_14 F14_14 -167.0(11) . . . . ?
C48_14 C47_14 C50_14 F15_14 -44.3(13) . . . . ?
C49_14 C47_14 C48_14 F7_14 83.6(14) . . . . ?
C49_14 C47_14 C48_14 F8_14 -155.3(11) . . . . ?
C49_14 C47_14 C48_14 F9_14 -38.2(12) . . . . ?
C49_14 C47_14 C50_14 F13_14 -43.1(16) . . . . ?
C49_14 C47_14 C50_14 F14_14 75.2(14) . . . . ?
C49_14 C47_14 C50_14 F15_14 -162.2(12) . . . . ?
C50_14 C47_14 C48_14 F7_14 -39.9(14) . . . . ?
C50_14 C47_14 C48_14 F8_14 81.2(12) . . . . ?
C50_14 C47_14 C48_14 F9_14 -161.8(10) . . . . ?
C50_14 C47_14 C49_14 F10_14 62.0(17) . . . . ?
C50_14 C47_14 C49_14 F11_14 -173.9(13) . . . . ?
C50_14 C47_14 C49_14 F12_14 -58.2(15) . . . . ?
O1_15 Al4 O1_8 C47_8 13.5(18) . . . . ?
O1_15 Al4 O1_16 C47_16 -24(4) . . . . ?
O1_15 C47_15 C48_15 F7_15 -163.5(13) . . . . ?
O1_15 C47_15 C48_15 F8_15 -36.6(14) . . . . ?
O1_15 C47_15 C48_15 F9_15 77.7(13) . . . . ?
O1_15 C47_15 C49_15 F10_15 -160.1(10) . . . . ?
O1_15 C47_15 C49_15 F11_15 76.5(11) . . . . ?
O1_15 C47_15 C49_15 F12_15 -39.3(14) . . . . ?
O1_15 C47_15 C50_15 F13_15 77.4(13) . . . . ?
O1_15 C47_15 C50_15 F14_15 -156.8(11) . . . . ?
O1_15 C47_15 C50_15 F15_15 -41.8(13) . . . . ?
C48_15 C47_15 C49_15 F10_15 -39.6(13) . . . . ?
C48_15 C47_15 C49_15 F11_15 -163.0(9) . . . . ?
C48_15 C47_15 C49_15 F12_15 81.1(13) . . . . ?
C48_15 C47_15 C50_15 F13_15 -40.0(13) . . . . ?
C48_15 C47_15 C50_15 F14_15 85.7(12) . . . . ?
C48_15 C47_15 C50_15 F15_15 -159.3(10) . . . . ?
C49_15 C47_15 C48_15 F7_15 74.2(14) . . . . ?
C49_15 C47_15 C48_15 F8_15 -159.0(11) . . . . ?
C49_15 C47_15 C48_15 F9_15 -44.6(13) . . . . ?
C49_15 C47_15 C50_15 F13_15 -160.2(11) . . . . ?
C49_15 C47_15 C50_15 F14_15 -34.5(13) . . . . ?
C49_15 C47_15 C50_15 F15_15 80.5(12) . . . . ?
C50_15 C47_15 C48_15 F7_15 -44.3(14) . . . . ?
C50_15 C47_15 C48_15 F8_15 82.6(12) . . . . ?
C50_15 C47_15 C48_15 F9_15 -163.1(11) . . . . ?
C50_15 C47_15 C49_15 F10_15 77.9(12) . . . . ?
C50_15 C47_15 C49_15 F11_15 -45.5(11) . . . . ?
C50_15 C47_15 C49_15 F12_15 -161.4(12) . . . . ?
O1_16 Al4 O1_8 C47_8 -117.7(17) . . . . ?
O1_16 Al4 O1_15 C47_15 -100(2) . . . . ?
O1_16 C47_16 C48_16 F7_16 74.9(16) . . . . ?
O1_16 C47_16 C48_16 F8_16 -163.8(14) . . . . ?
O1_16 C47_16 C48_16 F9_16 -55.4(17) . . . . ?
O1_16 C47_16 C49_16 F10_16 -178.5(14) . . . . ?
O1_16 C47_16 C49_16 F11_16 51.9(16) . . . . ?
O1_16 C47_16 C49_16 F12_16 -63.0(14) . . . . ?
O1_16 C47_16 C50_16 F13_16 61.8(14) . . . . ?
O1_16 C47_16 C50_16 F14_16 177.1(12) . . . . ?
O1_16 C47_16 C50_16 F15_16 -56.5(18) . . . . ?
C48_16 C47_16 C49_16 F10_16 -57.3(15) . . . . ?
C48_16 C47_16 C49_16 F11_16 173.1(13) . . . . ?
C48_16 C47_16 C49_16 F12_16 58.2(13) . . . . ?
C48_16 C47_16 C50_16 F13_16 -62.3(13) . . . . ?
C48_16 C47_16 C50_16 F14_16 53.1(14) . . . . ?
C48_16 C47_16 C50_16 F15_16 179.4(15) . . . . ?
C49_16 C47_16 C48_16 F7_16 -42.6(16) . . . . ?
C49_16 C47_16 C48_16 F8_16 78.8(15) . . . . ?
C49_16 C47_16 C48_16 F9_16 -172.8(14) . . . . ?
C49_16 C47_16 C50_16 F13_16 176.9(11) . . . . ?
C49_16 C47_16 C50_16 F14_16 -67.7(13) . . . . ?
C49_16 C47_16 C50_16 F15_16 58.6(16) . . . . ?
C50_16 C47_16 C48_16 F7_16 -161.6(14) . . . . ?
C50_16 C47_16 C48_16 F8_16 -40.3(16) . . . . ?
C50_16 C47_16 C48_16 F9_16 68.1(16) . . . . ?
C50_16 C47_16 C49_16 F10_16 63.2(14) . . . . ?
C50_16 C47_16 C49_16 F11_16 -66.5(14) . . . . ?
C50_16 C47_16 C49_16 F12_16 178.6(11) . . . . ?
O1_17 Al3 O1_13 C47_13 -2(2) . . . . ?
O1_17 Al3 O1_14 C47_14 -74(2) . . . . ?
O1_17 C47_17 C48_17 F7_17 -154.4(14) . . . . ?
O1_17 C47_17 C48_17 F8_17 -36.4(14) . . . . ?
O1_17 C47_17 C48_17 F9_17 78.6(13) . . . . ?
O1_17 C47_17 C49_17 F10_17 -157.2(14) . . . . ?
O1_17 C47_17 C49_17 F11_17 76.0(15) . . . . ?
O1_17 C47_17 C49_17 F12_17 -42.2(15) . . . . ?
O1_17 C47_17 C50_17 F13_17 -164.3(13) . . . . ?
O1_17 C47_17 C50_17 F14_17 -46.0(16) . . . . ?
O1_17 C47_17 C50_17 F15_17 76.3(13) . . . . ?
C48_17 C47_17 C49_17 F10_17 -39.0(14) . . . . ?
C48_17 C47_17 C49_17 F11_17 -165.8(11) . . . . ?
C48_17 C47_17 C49_17 F12_17 76.0(13) . . . . ?
C48_17 C47_17 C50_17 F13_17 77.2(14) . . . . ?
C48_17 C47_17 C50_17 F14_17 -164.6(11) . . . . ?
C48_17 C47_17 C50_17 F15_17 -42.2(13) . . . . ?
C49_17 C47_17 C48_17 F7_17 84.2(15) . . . . ?
C49_17 C47_17 C48_17 F8_17 -157.8(11) . . . . ?
C49_17 C47_17 C48_17 F9_17 -42.8(13) . . . . ?
C49_17 C47_17 C50_17 F13_17 -41.7(14) . . . . ?
C49_17 C47_17 C50_17 F14_17 76.6(13) . . . . ?
C49_17 C47_17 C50_17 F15_17 -161.1(10) . . . . ?
C50_17 C47_17 C48_17 F7_17 -36.3(17) . . . . ?
C50_17 C47_17 C48_17 F8_17 81.7(13) . . . . ?
C50_17 C47_17 C48_17 F9_17 -163.3(10) . . . . ?
C50_17 C47_17 C49_17 F10_17 83.7(14) . . . . ?
C50_17 C47_17 C49_17 F11_17 -43.1(14) . . . . ?
C50_17 C47_17 C49_17 F12_17 -161.2(11) . . . . ?
O1_18 Al1 O1_20 C47_20 95(3) . . . . ?
O1_18 Al1 O1_21 C47_21 -5(2) . . . . ?
O1_18 C47_18 C48_18 F7_18 82.6(14) . . . . ?
O1_18 C47_18 C48_18 F8_18 -156.3(12) . . . . ?
O1_18 C47_18 C48_18 F9_18 -46.3(16) . . . . ?
O1_18 C47_18 C49_18 F10_18 -39.6(16) . . . . ?
O1_18 C47_18 C49_18 F11_18 77.2(18) . . . . ?
O1_18 C47_18 C49_18 F12_18 -160.2(16) . . . . ?
O1_18 C47_18 C50_18 F13_18 -171.6(14) . . . . ?
O1_18 C47_18 C50_18 F14_18 -61.9(13) . . . . ?
O1_18 C47_18 C50_18 F15_18 82.7(14) . . . . ?
C48_18 C47_18 C49_18 F10_18 80.8(14) . . . . ?
C48_18 C47_18 C49_18 F11_18 -162.3(15) . . . . ?
C48_18 C47_18 C49_18 F12_18 -39.7(18) . . . . ?
C48_18 C47_18 C50_18 F13_18 73.5(15) . . . . ?
C48_18 C47_18 C50_18 F14_18 -176.8(11) . . . . ?
C48_18 C47_18 C50_18 F15_18 -32.2(16) . . . . ?
C49_18 C47_18 C48_18 F7_18 -41.7(16) . . . . ?
C49_18 C47_18 C48_18 F8_18 79.3(13) . . . . ?
C49_18 C47_18 C48_18 F9_18 -170.7(14) . . . . ?
C49_18 C47_18 C50_18 F13_18 -47.9(16) . . . . ?
C49_18 C47_18 C50_18 F14_18 61.8(14) . . . . ?
C49_18 C47_18 C50_18 F15_18 -153.6(13) . . . . ?
C50_18 C47_18 C48_18 F7_18 -166.3(13) . . . . ?
C50_18 C47_18 C48_18 F8_18 -45.2(14) . . . . ?
C50_18 C47_18 C48_18 F9_18 64.8(16) . . . . ?
C50_18 C47_18 C49_18 F10_18 -156.3(12) . . . . ?
C50_18 C47_18 C49_18 F11_18 -39.5(18) . . . . ?
C50_18 C47_18 C49_18 F12_18 83.1(17) . . . . ?
O1_19 Al2 O1_1 C47_1 131.2(16) . . . . ?
O1_19 Al2 O1_3 C47_3 -11.8(15) . . . . ?
O1_19 C47_19 C48_19 F7_19 144.1(15) . . . . ?
O1_19 C47_19 C48_19 F8_19 -99.2(17) . . . . ?
O1_19 C47_19 C48_19 F9_19 16.4(19) . . . . ?
O1_19 C47_19 C49_19 F10_19 -67.6(19) . . . . ?
O1_19 C47_19 C49_19 F11_19 167.9(16) . . . . ?
O1_19 C47_19 C49_19 F12_19 43.4(18) . . . . ?
O1_19 C47_19 C50_19 F13_19 157.3(16) . . . . ?
O1_19 C47_19 C50_19 F14_19 -83.4(17) . . . . ?
O1_19 C47_19 C50_19 F15_19 34(2) . . . . ?
C48_19 C47_19 C49_19 F10_19 50.7(16) . . . . ?
C48_19 C47_19 C49_19 F11_19 -73.8(15) . . . . ?
C48_19 C47_19 C49_19 F12_19 161.6(13) . . . . ?
C48_19 C47_19 C50_19 F13_19 39.2(17) . . . . ?
C48_19 C47_19 C50_19 F14_19 158.5(13) . . . . ?
C48_19 C47_19 C50_19 F15_19 -84.5(16) . . . . ?
C49_19 C47_19 C48_19 F7_19 21.2(16) . . . . ?
C49_19 C47_19 C48_19 F8_19 137.8(15) . . . . ?
C49_19 C47_19 C48_19 F9_19 -106.5(16) . . . . ?
C49_19 C47_19 C50_19 F13_19 -74.3(17) . . . . ?
C49_19 C47_19 C50_19 F14_19 45.1(16) . . . . ?
C49_19 C47_19 C50_19 F15_19 162.0(15) . . . . ?
C50_19 C47_19 C48_19 F7_19 -95.7(15) . . . . ?
C50_19 C47_19 C48_19 F8_19 21.0(16) . . . . ?
C50_19 C47_19 C48_19 F9_19 136.7(16) . . . . ?
C50_19 C47_19 C49_19 F10_19 166.1(14) . . . . ?
C50_19 C47_19 C49_19 F11_19 41.6(16) . . . . ?
C50_19 C47_19 C49_19 F12_19 -83.0(15) . . . . ?
O1_20 Al1 O1_18 C47_18 26(3) . . . . ?
O1_20 Al1 O1_21 C47_21 131(2) . . . . ?
O1_20 C47_20 C48_20 F7_20 159.9(14) . . . . ?
O1_20 C47_20 C48_20 F8_20 -77.7(15) . . . . ?
O1_20 C47_20 C48_20 F9_20 32.5(17) . . . . ?
O1_20 C47_20 C49_20 F10_20 161.2(16) . . . . ?
O1_20 C47_20 C49_20 F11_20 44.2(16) . . . . ?
O1_20 C47_20 C49_20 F12_20 -79.3(17) . . . . ?
O1_20 C47_20 C50_20 F13_20 163.1(15) . . . . ?
O1_20 C47_20 C50_20 F14_20 -81.5(14) . . . . ?
O1_20 C47_20 C50_20 F15_20 37.2(17) . . . . ?
C48_20 C47_20 C49_20 F10_20 -78.6(15) . . . . ?
C48_20 C47_20 C49_20 F11_20 164.4(13) . . . . ?
C48_20 C47_20 C49_20 F12_20 40.9(16) . . . . ?
C48_20 C47_20 C50_20 F13_20 39.6(17) . . . . ?
C48_20 C47_20 C50_20 F14_20 155.0(13) . . . . ?
C48_20 C47_20 C50_20 F15_20 -86.3(15) . . . . ?
C49_20 C47_20 C48_20 F7_20 42.0(16) . . . . ?
C49_20 C47_20 C48_20 F8_20 164.4(12) . . . . ?
C49_20 C47_20 C48_20 F9_20 -85.4(15) . . . . ?
C49_20 C47_20 C50_20 F13_20 -77.1(17) . . . . ?
C49_20 C47_20 C50_20 F14_20 38.3(15) . . . . ?
C49_20 C47_20 C50_20 F15_20 157.0(14) . . . . ?
C50_20 C47_20 C48_20 F7_20 -77.5(16) . . . . ?
C50_20 C47_20 C48_20 F8_20 44.9(14) . . . . ?
C50_20 C47_20 C48_20 F9_20 155.1(13) . . . . ?
C50_20 C47_20 C49_20 F10_20 40.2(17) . . . . ?
C50_20 C47_20 C49_20 F11_20 -76.8(15) . . . . ?
C50_20 C47_20 C49_20 F12_20 159.6(15) . . . . ?
O1_21 Al1 O1_18 C47_18 158(3) . . . . ?
O1_21 Al1 O1_20 C47_20 -38(4) . . . . ?
O1_21 C47_21 C48_21 F7_21 -158.6(14) . . . . ?
O1_21 C47_21 C48_21 F8_21 -41.1(15) . . . . ?
O1_21 C47_21 C48_21 F9_21 75.5(16) . . . . ?
O1_21 C47_21 C49_21 F10_21 -160.1(14) . . . . ?
O1_21 C47_21 C49_21 F11_21 -40.5(16) . . . . ?
O1_21 C47_21 C49_21 F12_21 75.9(17) . . . . ?
O1_21 C47_21 C50_21 F13_21 79.3(12) . . . . ?
O1_21 C47_21 C50_21 F14_21 -161.5(14) . . . . ?
O1_21 C47_21 C50_21 F15_21 -39.4(15) . . . . ?
C48_21 C47_21 C49_21 F10_21 -36.5(17) . . . . ?
C48_21 C47_21 C49_21 F11_21 83.1(14) . . . . ?
C48_21 C47_21 C49_21 F12_21 -160.5(16) . . . . ?
C48_21 C47_21 C50_21 F13_21 -43.4(13) . . . . ?
C48_21 C47_21 C50_21 F14_21 75.8(15) . . . . ?
C48_21 C47_21 C50_21 F15_21 -162.1(13) . . . . ?
C49_21 C47_21 C48_21 F7_21 77.3(16) . . . . ?
C49_21 C47_21 C48_21 F8_21 -165.2(13) . . . . ?
C49_21 C47_21 C48_21 F9_21 -48.6(16) . . . . ?
C49_21 C47_21 C50_21 F13_21 -157.3(11) . . . . ?
C49_21 C47_21 C50_21 F14_21 -38.1(16) . . . . ?
C49_21 C47_21 C50_21 F15_21 84.0(14) . . . . ?
C50_21 C47_21 C48_21 F7_21 -36.9(17) . . . . ?
C50_21 C47_21 C48_21 F8_21 80.6(14) . . . . ?
C50_21 C47_21 C48_21 F9_21 -162.7(14) . . . . ?
C50_21 C47_21 C49_21 F10_21 78.0(16) . . . . ?
C50_21 C47_21 C49_21 F11_21 -162.4(13) . . . . ?
C50_21 C47_21 C49_21 F12_21 -46.0(17) . . . . ?
O1_2 Al1 O1_4 C47_4 -158(4) . . . . ?
O1_2 Al1 O1_6 C47_6 0(3) . . . . ?
O1_2 C47_2 C48_2 F7_2 166.4(15) . . . . ?
O1_2 C47_2 C48_2 F8_2 -76.9(15) . . . . ?
O1_2 C47_2 C48_2 F9_2 41.9(17) . . . . ?
O1_2 C47_2 C49_2 F10_2 166.6(15) . . . . ?
O1_2 C47_2 C49_2 F11_2 -71.7(16) . . . . ?
O1_2 C47_2 C49_2 F12_2 49.3(15) . . . . ?
O1_2 C47_2 C50_2 F13_2 157.2(16) . . . . ?
O1_2 C47_2 C50_2 F14_2 -81.2(16) . . . . ?
O1_2 C47_2 C50_2 F15_2 41.9(18) . . . . ?
C48_2 C47_2 C49_2 F10_2 -74.8(16) . . . . ?
C48_2 C47_2 C49_2 F11_2 46.8(16) . . . . ?
C48_2 C47_2 C49_2 F12_2 167.8(12) . . . . ?
C48_2 C47_2 C50_2 F13_2 36.5(19) . . . . ?
C48_2 C47_2 C50_2 F14_2 158.2(14) . . . . ?
C48_2 C47_2 C50_2 F15_2 -78.8(17) . . . . ?
C49_2 C47_2 C48_2 F7_2 47.9(17) . . . . ?
C49_2 C47_2 C48_2 F8_2 164.7(13) . . . . ?
C49_2 C47_2 C48_2 F9_2 -76.5(16) . . . . ?
C49_2 C47_2 C50_2 F13_2 -83.3(17) . . . . ?
C49_2 C47_2 C50_2 F14_2 38.3(17) . . . . ?
C49_2 C47_2 C50_2 F15_2 161.4(15) . . . . ?
C50_2 C47_2 C48_2 F7_2 -71.5(17) . . . . ?
C50_2 C47_2 C48_2 F8_2 45.2(16) . . . . ?
C50_2 C47_2 C48_2 F9_2 164.1(14) . . . . ?
C50_2 C47_2 C49_2 F10_2 45.6(17) . . . . ?
C50_2 C47_2 C49_2 F11_2 167.2(14) . . . . ?
C50_2 C47_2 C49_2 F12_2 -71.8(14) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 4.281
_oxdiff_exptl_absorpt_empirical_full_min 0.428
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Fluorobenzene layered with n-hexane'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_exptl_crystal_preparation       'Magnetic properties'
