# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_exp_11493
_database_code_depnum_ccdc_archive 'CCDC 2203523'
loop_
_audit_author_name
_audit_author_address
'sheng zhang'
;Hainan University
China
;
_audit_update_record             
;
2022-12-07 deposited with the CCDC.	2023-01-02 downloaded from the CCDC.
;
_audit_creation_date             2022-11-22
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C56 H24 Dy2 F24 O16, 2(C6 H15 N)'
_chemical_formula_sum            'C68 H54 Dy2 F24 N2 O16'
_chemical_formula_weight         1936.13
_chemical_melting_point          ?
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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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'
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/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                   19.4037(11)
_cell_length_b                   20.0870(8)
_cell_length_c                   21.2918(11)
_cell_angle_alpha                90
_cell_angle_beta                 114.772(6)
_cell_angle_gamma                90
_cell_volume                     7535.1(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2922
_cell_measurement_temperature    293.0(1)
_cell_measurement_theta_max      61.1860
_cell_measurement_theta_min      3.3260
_shelx_estimated_absorpt_T_max   0.457
_shelx_estimated_absorpt_T_min   0.421
_exptl_absorpt_coefficient_mu    11.610
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.69197
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.707
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3808
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0845
_diffrn_reflns_av_unetI/netI     0.1234
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            28168
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.245
_diffrn_reflns_theta_max         67.245
_diffrn_reflns_theta_min         3.173
_diffrn_ambient_temperature      293.0(1)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.1281
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     14.00  50.00   1.00    2.00    --    0.00  57.00 -90.00   36
  2  ω      1.00  42.00   1.00    2.00    --    0.00 -99.00  60.00   41
  3  ω    -77.00 -32.00   1.00    2.00    --    0.00 178.00 120.00   45
  4  ω    -76.00 -50.00   1.00    2.00    --    0.00 178.00 -90.00   26
  5  ω     42.00  88.00   1.00    6.00    --   54.63-125.00  90.00   46
  6  ω    -18.00  52.00   1.00    6.00    --   54.63 -37.00 150.00   70
  7  ω     34.00 123.00   1.00    6.00    --   54.63  37.00  60.00   89
  8  ω      2.00  68.00   1.00    6.00    --   54.63 -57.00  60.00   66
  9  ω     57.00 129.00   1.00    6.00    --  109.26 -50.00 120.00   72
 10  ω     63.00 126.00   1.00    6.00    --  109.26 178.00  30.00   63
 11  ω     91.00 176.00   1.00    6.00    --  109.26  50.00 -90.00   85
 12  ω     46.00 113.00   1.00    6.00    --  109.26-111.00   0.00   67
 13  ω     41.00 147.00   1.00    6.00    --  109.26 -91.00  30.00  106
 14  ω     51.00  76.00   1.00    6.00    --  109.26-111.00 150.00   25
 15  ω     55.00 106.00   1.00    6.00    --  109.26-111.00 -90.00   51
 16  ω    129.00 172.00   1.00    6.00    --  109.26  50.00 -30.00   43
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0093249000
_diffrn_orient_matrix_UB_12      -0.0476362000
_diffrn_orient_matrix_UB_13      0.0526095000
_diffrn_orient_matrix_UB_21      -0.0869529000
_diffrn_orient_matrix_UB_22      0.0050769000
_diffrn_orient_matrix_UB_23      -0.0392280000
_diffrn_orient_matrix_UB_31      0.0000613000
_diffrn_orient_matrix_UB_32      -0.0598763000
_diffrn_orient_matrix_UB_33      -0.0451907000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_target            Mo
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7071
_reflns_number_total             13494
_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 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/1 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.186
_refine_diff_density_min         -0.988
_refine_diff_density_rms         0.114
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1015
_refine_ls_number_reflns         13494
_refine_ls_number_restraints     3181
_refine_ls_R_factor_all          0.1507
_refine_ls_R_factor_gt           0.0770
_refine_ls_restrained_S_all      1.001
_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)+(0.0878P)²+5.0809P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1766
_refine_ls_wR_factor_ref         0.2294
_refine_special_details          ?
_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
 C1-F1 = C1-F2 = C1-F3
 1.32 with sigma of 0.01
 F1-F2 = F2-F3 = F3-F1
 2.1 with sigma of 0.01
 C1-C2
 1.52 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 3.8A with sigma of 0.02 and sigma
for terminal atoms of 0.04 within 3.8A
4.a Secondary CH2 refined with riding coordinates:
 C57(H57A,H57B), C59(H59A,H59B), C61(H61A,H61B), C63(H63A,H63B), C65(H65A,
 H65B), C67(H67A,H67B)
4.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C6(H6), C7(H7), C8(H8), C10(H10), C12(H12), C17(H17), C20(H20),
 C21(H21), C22(H22), C24(H24), C26(H26), C31(H31), C34(H34), C35(H35), C36(H36),
  C38(H38), C40(H40), C45(H45), C48(H48), C49(H49), C50(H50), C52(H52), C54(H54)
4.c Idealised Me refined as rotating group:
 C58(H58A,H58B,H58C), C60(H60A,H60B,H60C), C62(H62A,H62B,H62C), C64(H64A,H64B,
 H64C), C66(H66A,H66B,H66C), C68(H68A,H68B,H68C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.20036(4) 0.41337(3) 0.32293(3) 0.0497(2) Uani 1 1 d . U . . .
Dy2 Dy -0.19265(4) 0.56269(3) 0.18383(3) 0.0494(2) Uani 1 1 d . U . . .
F1 F -0.2614(5) 0.7949(5) 0.1074(6) 0.150(4) Uani 1 1 d D U . . .
F2 F -0.1645(7) 0.7873(7) 0.0900(7) 0.209(6) Uani 1 1 d D U . . .
F3 F -0.1617(7) 0.8430(5) 0.1727(6) 0.221(6) Uani 1 1 d D U . . .
F4 F 0.3707(7) 0.5224(6) 0.5892(5) 0.166(5) Uani 1 1 d . U . . .
F5 F 0.4292(6) 0.4959(7) 0.5327(6) 0.164(4) Uani 1 1 d . U . . .
F6 F 0.3817(7) 0.4252(5) 0.5674(5) 0.159(5) Uani 1 1 d . U . . .
F7 F -0.3682(5) 0.5947(5) -0.0705(5) 0.118(3) Uani 1 1 d . U . . .
F8 F -0.3571(6) 0.4943(5) -0.0455(5) 0.136(4) Uani 1 1 d . U . . .
F9 F -0.3055(5) 0.5342(6) -0.1061(4) 0.131(4) Uani 1 1 d . U . . .
F10 F 0.3579(6) 0.6261(5) 0.2876(7) 0.147(4) Uani 1 1 d . U . . .
F11 F 0.4065(7) 0.5507(8) 0.2704(8) 0.180(4) Uani 1 1 d . U . . .
F12 F 0.4115(7) 0.5528(7) 0.3590(7) 0.211(6) Uani 1 1 d . U . . .
F13 F -0.4017(5) 0.3464(5) 0.1231(6) 0.134(4) Uani 1 1 d . U . . .
F14 F -0.3943(6) 0.4198(6) 0.1986(6) 0.140(4) Uani 1 1 d . U . . .
F15 F -0.4428(5) 0.4442(5) 0.0917(6) 0.132(4) Uani 1 1 d . U . . .
F16 F 0.1998(7) 0.2729(8) 0.0958(6) 0.181(5) Uani 1 1 d . U . . .
F17 F 0.2588(8) 0.2233(7) 0.1761(7) 0.165(4) Uani 1 1 d . U . . .
F18 F 0.2970(7) 0.3094(7) 0.1675(6) 0.160(4) Uani 1 1 d . U . . .
F19 F -0.2306(5) 0.6383(5) 0.4254(4) 0.122(3) Uani 1 1 d . U . . .
F20 F -0.2071(7) 0.7061(5) 0.3618(6) 0.140(4) Uani 1 1 d . U . . .
F21 F -0.3157(5) 0.6629(6) 0.3279(4) 0.132(4) Uani 1 1 d . U . . .
F22 F 0.1699(5) 0.1693(4) 0.4448(5) 0.103(3) Uani 1 1 d . U . . .
F23 F 0.2672(5) 0.1857(4) 0.4263(5) 0.111(3) Uani 1 1 d . U . . .
F24 F 0.1595(7) 0.1766(5) 0.3424(5) 0.148(4) Uani 1 1 d . U . . .
N1 N 0.4143(7) 0.3328(7) 0.3410(7) 0.091(3) Uani 1 1 d . U . . .
N2 N 0.5997(8) 0.6559(9) 0.1708(7) 0.115(4) Uani 1 1 d . U . . .
O1 O -0.2094(4) 0.6784(4) 0.1638(4) 0.0627(19) Uani 1 1 d . U . . .
O2 O -0.0851(4) 0.6136(4) 0.2666(4) 0.0513(16) Uani 1 1 d . U . . .
O3 O 0.1743(4) 0.5220(4) 0.3448(4) 0.0508(16) Uani 1 1 d . U . . .
O4 O 0.2924(4) 0.4393(4) 0.4336(4) 0.0597(18) Uani 1 1 d . U . . .
O5 O -0.2668(5) 0.5712(4) 0.0648(4) 0.0632(19) Uani 1 1 d . U . . .
O6 O -0.1088(4) 0.5814(4) 0.1332(4) 0.0545(17) Uani 1 1 d . U . . .
O7 O 0.1437(4) 0.4656(4) 0.2161(4) 0.0555(17) Uani 1 1 d . U . . .
O8 O 0.2981(5) 0.4698(4) 0.3076(4) 0.0658(18) Uani 1 1 d . U . . .
O9 O -0.2985(4) 0.4941(4) 0.1619(4) 0.0609(18) Uani 1 1 d . U . . .
O10 O -0.1631(4) 0.4604(4) 0.1511(4) 0.0536(16) Uani 1 1 d . U . . .
O11 O 0.0918(4) 0.3545(4) 0.2555(4) 0.0540(16) Uani 1 1 d . U . . .
O12 O 0.2373(5) 0.3401(4) 0.2535(4) 0.0646(19) Uani 1 1 d . U . . .
O13 O -0.2464(4) 0.6024(4) 0.2595(4) 0.0600(18) Uani 1 1 d . U . . .
O14 O -0.1439(4) 0.4927(4) 0.2815(4) 0.0537(16) Uani 1 1 d . U . . .
O15 O 0.1246(4) 0.4096(4) 0.3840(4) 0.0538(16) Uani 1 1 d . U . . .
O16 O 0.2225(5) 0.3093(4) 0.3797(4) 0.0624(18) Uani 1 1 d . U . . .
C1 C -0.1882(6) 0.7872(5) 0.1408(6) 0.102(4) Uani 1 1 d D U . . .
C2 C -0.1623(7) 0.7253(6) 0.1859(6) 0.063(3) Uani 1 1 d D U . . .
C3 C -0.0913(7) 0.7273(6) 0.2382(6) 0.062(3) Uani 1 1 d . U . . .
H3 H -0.065610 0.767716 0.249299 0.074 Uiso 1 1 calc R U . . .
C4 C -0.0549(6) 0.6691(6) 0.2768(5) 0.050(2) Uani 1 1 d . U . . .
C5 C 0.0244(6) 0.6741(5) 0.3303(5) 0.045(2) Uani 1 1 d . U . . .
C6 C 0.0534(6) 0.7313(6) 0.3707(5) 0.050(2) Uani 1 1 d . U . . .
H6 H 0.023309 0.769050 0.363525 0.060 Uiso 1 1 calc R U . . .
C7 C 0.1270(6) 0.7309(5) 0.4212(5) 0.047(2) Uani 1 1 d . U . . .
H7 H 0.146064 0.768742 0.448162 0.056 Uiso 1 1 calc R U . . .
C8 C 0.1726(6) 0.6759(6) 0.4324(5) 0.051(2) Uani 1 1 d . U . . .
H8 H 0.221334 0.676163 0.467882 0.061 Uiso 1 1 calc R U . . .
C9 C 0.1460(6) 0.6189(5) 0.3904(5) 0.046(2) Uani 1 1 d . U . . .
C10 C 0.0720(6) 0.6203(5) 0.3405(5) 0.047(2) Uani 1 1 d . U . . .
H10 H 0.053445 0.583057 0.312459 0.056 Uiso 1 1 calc R U . . .
C11 C 0.1931(6) 0.5589(6) 0.3976(5) 0.047(2) Uani 1 1 d . U . . .
C12 C 0.2536(7) 0.5430(6) 0.4609(6) 0.060(2) Uani 1 1 d . U . . .
H12 H 0.263922 0.572166 0.497641 0.072 Uiso 1 1 calc R U . . .
C13 C 0.2992(7) 0.4869(7) 0.4728(6) 0.058(2) Uani 1 1 d . U . . .
C14 C 0.3650(10) 0.4804(9) 0.5426(9) 0.091(4) Uani 1 1 d . U . . .
C15 C -0.3214(9) 0.5469(8) -0.0525(7) 0.078(4) Uani 1 1 d . U . . .
C16 C -0.2499(7) 0.5614(6) 0.0156(6) 0.058(3) Uani 1 1 d . U . . .
C17 C -0.1805(7) 0.5614(6) 0.0128(6) 0.062(2) Uani 1 1 d . U . . .
H17 H -0.178126 0.553472 -0.029302 0.074 Uiso 1 1 calc R U . . .
C18 C -0.1112(7) 0.5734(6) 0.0735(6) 0.055(2) Uani 1 1 d . U . . .
C19 C -0.0364(7) 0.5696(5) 0.0682(5) 0.052(2) Uani 1 1 d . U . . .
C20 C -0.0253(7) 0.5912(6) 0.0110(6) 0.060(3) Uani 1 1 d . U . . .
H20 H -0.066126 0.606568 -0.028170 0.072 Uiso 1 1 calc R U . . .
C21 C 0.0466(7) 0.5897(6) 0.0125(6) 0.059(3) Uani 1 1 d . U . . .
H21 H 0.053540 0.603845 -0.026042 0.071 Uiso 1 1 calc R U . . .
C22 C 0.1067(7) 0.5681(6) 0.0687(5) 0.055(2) Uani 1 1 d . U . . .
H22 H 0.154736 0.569404 0.069071 0.066 Uiso 1 1 calc R U . . .
C23 C 0.0983(7) 0.5437(6) 0.1264(5) 0.051(2) Uani 1 1 d . U . . .
C24 C 0.0249(6) 0.5443(5) 0.1243(5) 0.049(2) Uani 1 1 d . U . . .
H24 H 0.017446 0.527157 0.161527 0.059 Uiso 1 1 calc R U . . .
C25 C 0.1593(7) 0.5151(6) 0.1878(6) 0.052(2) Uani 1 1 d . U . . .
C26 C 0.2322(7) 0.5452(6) 0.2150(6) 0.064(3) Uani 1 1 d . U . . .
H26 H 0.239346 0.582264 0.192292 0.077 Uiso 1 1 calc R U . . .
C27 C 0.2926(7) 0.5230(6) 0.2727(6) 0.059(2) Uani 1 1 d . U . . .
C28 C 0.3631(9) 0.5671(9) 0.3042(10) 0.094(4) Uani 1 1 d . U . . .
C29 C -0.3886(10) 0.4092(9) 0.1410(10) 0.096(4) Uani 1 1 d . U . . .
C30 C -0.3085(7) 0.4331(7) 0.1455(7) 0.069(3) Uani 1 1 d . U . . .
C31 C -0.2641(7) 0.3882(6) 0.1342(6) 0.063(3) Uani 1 1 d . U . . .
H31 H -0.282060 0.344964 0.122844 0.076 Uiso 1 1 calc R U . . .
C32 C -0.1908(7) 0.4035(6) 0.1389(6) 0.052(2) Uani 1 1 d . U . . .
C33 C -0.1419(7) 0.3500(6) 0.1318(6) 0.057(2) Uani 1 1 d . U . . .
C34 C -0.1698(8) 0.2932(6) 0.0913(6) 0.064(3) Uani 1 1 d . U . . .
H34 H -0.221847 0.286444 0.068088 0.076 Uiso 1 1 calc R U . . .
C35 C -0.1195(8) 0.2465(6) 0.0857(7) 0.068(3) Uani 1 1 d . U . . .
H35 H -0.138697 0.209210 0.057847 0.081 Uiso 1 1 calc R U . . .
C36 C -0.0427(7) 0.2543(6) 0.1202(6) 0.061(3) Uani 1 1 d . U . . .
H36 H -0.010070 0.222549 0.115798 0.074 Uiso 1 1 calc R U . . .
C37 C -0.0132(7) 0.3107(6) 0.1623(6) 0.054(2) Uani 1 1 d . U . . .
C38 C -0.0627(7) 0.3583(6) 0.1668(6) 0.058(2) Uani 1 1 d . U . . .
H38 H -0.043368 0.396341 0.193311 0.070 Uiso 1 1 calc R U . . .
C39 C 0.0701(7) 0.3227(6) 0.1998(6) 0.056(2) Uani 1 1 d . U . . .
C40 C 0.1204(8) 0.3002(7) 0.1710(7) 0.071(3) Uani 1 1 d . U . . .
H40 H 0.099268 0.277120 0.129330 0.085 Uiso 1 1 calc R U . . .
C41 C 0.1962(8) 0.3099(6) 0.1994(7) 0.062(2) Uani 1 1 d . U . . .
C42 C 0.2336(10) 0.2849(9) 0.1557(9) 0.087(4) Uani 1 1 d . U . . .
C43 C -0.2437(9) 0.6502(9) 0.3599(8) 0.085(4) Uani 1 1 d . U . . .
C44 C -0.2181(7) 0.5956(6) 0.3245(6) 0.060(3) Uani 1 1 d . U . . .
C45 C -0.1691(7) 0.5490(6) 0.3667(6) 0.060(2) Uani 1 1 d . U . . .
H45 H -0.158242 0.550056 0.413543 0.072 Uiso 1 1 calc R U . . .
C46 C -0.1336(6) 0.4988(6) 0.3426(6) 0.053(2) Uani 1 1 d . U . . .
C47 C -0.0782(6) 0.4522(6) 0.3945(6) 0.052(2) Uani 1 1 d . U . . .
C48 C -0.0849(7) 0.4305(6) 0.4536(6) 0.057(2) Uani 1 1 d . U . . .
H48 H -0.124210 0.446463 0.463567 0.068 Uiso 1 1 calc R U . . .
C49 C -0.0343(7) 0.3860(6) 0.4972(6) 0.063(3) Uani 1 1 d . U . . .
H49 H -0.039477 0.371665 0.536530 0.075 Uiso 1 1 calc R U . . .
C50 C 0.0259(7) 0.3614(6) 0.4830(6) 0.057(2) Uani 1 1 d . U . . .
H50 H 0.059267 0.329718 0.511664 0.069 Uiso 1 1 calc R U . . .
C51 C 0.0342(6) 0.3854(6) 0.4256(5) 0.050(2) Uani 1 1 d . U . . .
C52 C -0.0175(6) 0.4311(5) 0.3824(5) 0.050(2) Uani 1 1 d . U . . .
H52 H -0.010917 0.447868 0.344528 0.060 Uiso 1 1 calc R U . . .
C53 C 0.0998(7) 0.3654(6) 0.4094(6) 0.053(2) Uani 1 1 d . U . . .
C54 C 0.1273(7) 0.2987(6) 0.4213(6) 0.056(2) Uani 1 1 d . U . . .
H54 H 0.107949 0.269287 0.443568 0.068 Uiso 1 1 calc R U . . .
C55 C 0.1812(7) 0.2769(6) 0.4007(6) 0.058(3) Uani 1 1 d . U . . .
C56 C 0.1950(9) 0.2013(7) 0.4031(7) 0.071(3) Uani 1 1 d . U . . .
C57 C 0.4629(10) 0.3829(9) 0.3270(10) 0.108(4) Uani 1 1 d . U . . .
H57A H 0.457069 0.425479 0.345692 0.129 Uiso 1 1 calc R U . . .
H57B H 0.515589 0.369556 0.351450 0.129 Uiso 1 1 calc R U . . .
C58 C 0.4463(10) 0.3916(9) 0.2545(9) 0.120(5) Uani 1 1 d . U . . .
H58A H 0.449434 0.349345 0.234757 0.180 Uiso 1 1 calc R U . . .
H58B H 0.482483 0.421746 0.250166 0.180 Uiso 1 1 calc R U . . .
H58C H 0.396121 0.409430 0.230579 0.180 Uiso 1 1 calc R U . . .
C59 C 0.4136(9) 0.3436(9) 0.4110(9) 0.105(4) Uani 1 1 d . U . . .
H59A H 0.378066 0.313140 0.416909 0.126 Uiso 1 1 calc R U . . .
H59B H 0.397528 0.388731 0.414104 0.126 Uiso 1 1 calc R U . . .
C60 C 0.5002(12) 0.3308(12) 0.4726(10) 0.161(7) Uani 1 1 d . U . . .
H60A H 0.516264 0.286416 0.468709 0.241 Uiso 1 1 calc R U . . .
H60B H 0.499460 0.336441 0.517070 0.241 Uiso 1 1 calc R U . . .
H60C H 0.534814 0.362243 0.467539 0.241 Uiso 1 1 calc R U . . .
C61 C 0.4364(11) 0.2661(10) 0.3279(11) 0.124(5) Uani 1 1 d . U . . .
H61A H 0.488971 0.258239 0.359459 0.148 Uiso 1 1 calc R U . . .
H61B H 0.433180 0.264686 0.281201 0.148 Uiso 1 1 calc R U . . .
C62 C 0.3883(12) 0.2110(10) 0.3363(11) 0.157(7) Uani 1 1 d . U . . .
H62A H 0.395155 0.209103 0.383554 0.236 Uiso 1 1 calc R U . . .
H62B H 0.403280 0.169318 0.323672 0.236 Uiso 1 1 calc R U . . .
H62C H 0.335923 0.219432 0.306863 0.236 Uiso 1 1 calc R U . . .
C63 C 0.5688(12) 0.7104(13) 0.1906(11) 0.154(6) Uani 1 1 d . U . . .
H63A H 0.569077 0.703163 0.235707 0.184 Uiso 1 1 calc R U . . .
H63B H 0.517151 0.718677 0.157227 0.184 Uiso 1 1 calc R U . . .
C64 C 0.6233(12) 0.7709(11) 0.1926(11) 0.150(7) Uani 1 1 d . U . . .
H64A H 0.673615 0.762345 0.227146 0.225 Uiso 1 1 calc R U . . .
H64B H 0.604405 0.811298 0.203638 0.225 Uiso 1 1 calc R U . . .
H64C H 0.624607 0.775289 0.148204 0.225 Uiso 1 1 calc R U . . .
C65 C 0.6050(10) 0.6462(11) 0.1057(9) 0.121(5) Uani 1 1 d . U . . .
H65A H 0.616196 0.599652 0.102263 0.145 Uiso 1 1 calc R U . . .
H65B H 0.647772 0.671896 0.106703 0.145 Uiso 1 1 calc R U . . .
C66 C 0.5356(11) 0.6650(12) 0.0406(9) 0.152(7) Uani 1 1 d . U . . .
H66A H 0.491802 0.642304 0.040103 0.229 Uiso 1 1 calc R U . . .
H66B H 0.543433 0.652288 0.000597 0.229 Uiso 1 1 calc R U . . .
H66C H 0.527646 0.712203 0.039905 0.229 Uiso 1 1 calc R U . . .
C67 C 0.5389(13) 0.5965(13) 0.1711(12) 0.159(6) Uani 1 1 d . U . . .
H67A H 0.487718 0.614216 0.150878 0.191 Uiso 1 1 calc R U . . .
H67B H 0.541088 0.559532 0.142703 0.191 Uiso 1 1 calc R U . . .
C68 C 0.5550(13) 0.5744(13) 0.2354(13) 0.182(8) Uani 1 1 d . U . . .
H68A H 0.608725 0.567750 0.259913 0.273 Uiso 1 1 calc R U . . .
H68B H 0.529123 0.533049 0.232784 0.273 Uiso 1 1 calc R U . . .
H68C H 0.538516 0.606681 0.259504 0.273 Uiso 1 1 calc R U . . .


_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 O3 2.330(7) . ?
Dy1 O4 2.342(8) . ?
Dy1 O7 2.321(7) . ?
Dy1 O8 2.346(8) . ?
Dy1 O11 2.315(8) . ?
Dy1 O12 2.398(7) . ?
Dy1 O15 2.337(7) . ?
Dy1 O16 2.363(8) . ?
Dy2 O1 2.361(8) . ?
Dy2 O2 2.329(7) . ?
Dy2 O5 2.338(8) . ?
Dy2 O6 2.328(7) . ?
Dy2 O9 2.352(8) . ?
Dy2 O10 2.317(8) . ?
Dy2 O13 2.394(7) . ?
Dy2 O14 2.354(7) . ?
F1 C1 1.304(9) . ?
F2 C1 1.341(9) . ?
F3 C1 1.299(9) . ?
F4 C14 1.271(18) . ?
F5 C14 1.38(2) . ?
F6 C14 1.213(18) . ?
F7 C15 1.265(16) . ?
F8 C15 1.304(17) . ?
F9 C15 1.326(16) . ?
F10 C28 1.229(18) . ?
F11 C28 1.36(2) . ?
F12 C28 1.186(17) . ?
F13 C29 1.312(18) . ?
F14 C29 1.29(2) . ?
F15 C29 1.332(18) . ?
F16 C42 1.191(17) . ?
F17 C42 1.335(19) . ?
F18 C42 1.249(18) . ?
F19 C43 1.329(16) . ?
F20 C43 1.320(19) . ?
F21 C43 1.297(16) . ?
F22 C56 1.343(15) . ?
F23 C56 1.314(15) . ?
F24 C56 1.283(15) . ?
N1 C57 1.493(19) . ?
N1 C59 1.509(18) . ?
N1 C61 1.47(2) . ?
N2 C63 1.39(2) . ?
N2 C65 1.446(19) . ?
N2 C67 1.68(3) . ?
O1 C2 1.259(14) . ?
O2 C4 1.235(13) . ?
O3 C11 1.267(12) . ?
O4 C13 1.241(14) . ?
O5 C16 1.237(13) . ?
O6 C18 1.263(12) . ?
O7 C25 1.263(13) . ?
O8 C27 1.280(14) . ?
O9 C30 1.267(15) . ?
O10 C32 1.243(13) . ?
O11 C39 1.255(13) . ?
O12 C41 1.249(14) . ?
O13 C44 1.263(12) . ?
O14 C46 1.237(12) . ?
O15 C53 1.238(12) . ?
O16 C55 1.251(14) . ?
C1 C2 1.522(9) . ?
C2 C3 1.362(16) . ?
C3 H3 0.9300 . ?
C3 C4 1.433(15) . ?
C4 C5 1.484(15) . ?
C5 C6 1.403(14) . ?
C5 C10 1.380(14) . ?
C6 H6 0.9300 . ?
C6 C7 1.383(14) . ?
C7 H7 0.9300 . ?
C7 C8 1.373(14) . ?
C8 H8 0.9300 . ?
C8 C9 1.410(15) . ?
C9 C10 1.384(14) . ?
C9 C11 1.481(14) . ?
C10 H10 0.9300 . ?
C11 C12 1.404(14) . ?
C12 H12 0.9300 . ?
C12 C13 1.388(16) . ?
C13 C14 1.505(18) . ?
C15 C16 1.558(17) . ?
C16 C17 1.374(16) . ?
C17 H17 0.9300 . ?
C17 C18 1.443(16) . ?
C18 C19 1.505(16) . ?
C19 C20 1.392(14) . ?
C19 C24 1.382(15) . ?
C20 H20 0.9300 . ?
C20 C21 1.381(16) . ?
C21 H21 0.9300 . ?
C21 C22 1.346(15) . ?
C22 H22 0.9300 . ?
C22 C23 1.393(14) . ?
C23 C24 1.405(15) . ?
C23 C25 1.465(15) . ?
C24 H24 0.9300 . ?
C25 C26 1.419(15) . ?
C26 H26 0.9300 . ?
C26 C27 1.369(16) . ?
C27 C28 1.529(19) . ?
C29 C30 1.59(2) . ?
C30 C31 1.336(17) . ?
C31 H31 0.9300 . ?
C31 C32 1.416(15) . ?
C32 C33 1.482(16) . ?
C33 C34 1.396(16) . ?
C33 C38 1.409(16) . ?
C34 H34 0.9300 . ?
C34 C35 1.394(16) . ?
C35 H35 0.9300 . ?
C35 C36 1.367(16) . ?
C36 H36 0.9300 . ?
C36 C37 1.409(16) . ?
C37 C38 1.389(15) . ?
C37 C39 1.491(16) . ?
C38 H38 0.9300 . ?
C39 C40 1.426(15) . ?
C40 H40 0.9300 . ?
C40 C41 1.350(16) . ?
C41 C42 1.487(16) . ?
C43 C44 1.527(17) . ?
C44 C45 1.368(16) . ?
C45 H45 0.9300 . ?
C45 C46 1.433(15) . ?
C46 C47 1.503(15) . ?
C47 C48 1.388(14) . ?
C47 C52 1.375(14) . ?
C48 H48 0.9300 . ?
C48 C49 1.365(15) . ?
C49 H49 0.9300 . ?
C49 C50 1.412(15) . ?
C50 H50 0.9300 . ?
C50 C51 1.385(14) . ?
C51 C52 1.387(15) . ?
C51 C53 1.505(15) . ?
C52 H52 0.9300 . ?
C53 C54 1.424(15) . ?
C54 H54 0.9300 . ?
C54 C55 1.364(15) . ?
C55 C56 1.538(17) . ?
C57 H57A 0.9700 . ?
C57 H57B 0.9700 . ?
C57 C58 1.45(2) . ?
C58 H58A 0.9600 . ?
C58 H58B 0.9600 . ?
C58 H58C 0.9600 . ?
C59 H59A 0.9700 . ?
C59 H59B 0.9700 . ?
C59 C60 1.66(2) . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C61 H61A 0.9700 . ?
C61 H61B 0.9700 . ?
C61 C62 1.51(2) . ?
C62 H62A 0.9600 . ?
C62 H62B 0.9600 . ?
C62 H62C 0.9600 . ?
C63 H63A 0.9700 . ?
C63 H63B 0.9700 . ?
C63 C64 1.60(3) . ?
C64 H64A 0.9600 . ?
C64 H64B 0.9600 . ?
C64 H64C 0.9600 . ?
C65 H65A 0.9700 . ?
C65 H65B 0.9700 . ?
C65 C66 1.52(2) . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
C67 H67A 0.9700 . ?
C67 H67B 0.9700 . ?
C67 C68 1.35(3) . ?
C68 H68A 0.9600 . ?
C68 H68B 0.9600 . ?
C68 H68C 0.9600 . ?

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
O3 Dy1 O4 74.3(3) . . ?
O3 Dy1 O8 80.3(3) . . ?
O3 Dy1 O12 147.5(3) . . ?
O3 Dy1 O15 71.3(2) . . ?
O3 Dy1 O16 137.2(2) . . ?
O4 Dy1 O8 73.3(3) . . ?
O4 Dy1 O12 117.2(3) . . ?
O4 Dy1 O16 77.5(3) . . ?
O7 Dy1 O3 73.7(3) . . ?
O7 Dy1 O4 137.2(3) . . ?
O7 Dy1 O8 74.0(3) . . ?
O7 Dy1 O12 79.3(3) . . ?
O7 Dy1 O15 114.2(3) . . ?
O7 Dy1 O16 144.2(3) . . ?
O8 Dy1 O12 75.1(3) . . ?
O8 Dy1 O16 121.0(3) . . ?
O11 Dy1 O3 112.6(3) . . ?
O11 Dy1 O4 148.1(3) . . ?
O11 Dy1 O7 71.9(3) . . ?
O11 Dy1 O8 137.6(3) . . ?
O11 Dy1 O12 74.6(3) . . ?
O11 Dy1 O15 73.0(3) . . ?
O11 Dy1 O16 77.8(3) . . ?
O15 Dy1 O4 80.8(3) . . ?
O15 Dy1 O8 145.7(3) . . ?
O15 Dy1 O12 138.0(3) . . ?
O15 Dy1 O16 73.0(3) . . ?
O16 Dy1 O12 74.7(3) . . ?
O1 Dy2 O13 74.2(3) . . ?
O2 Dy2 O1 73.5(3) . . ?
O2 Dy2 O5 137.5(3) . . ?
O2 Dy2 O9 147.0(3) . . ?
O2 Dy2 O13 81.3(3) . . ?
O2 Dy2 O14 72.1(3) . . ?
O5 Dy2 O1 75.9(3) . . ?
O5 Dy2 O9 74.8(3) . . ?
O5 Dy2 O13 117.5(3) . . ?
O5 Dy2 O14 146.9(3) . . ?
O6 Dy2 O1 80.1(3) . . ?
O6 Dy2 O2 72.6(3) . . ?
O6 Dy2 O5 73.7(3) . . ?
O6 Dy2 O9 136.4(3) . . ?
O6 Dy2 O13 147.5(3) . . ?
O6 Dy2 O14 113.9(3) . . ?
O9 Dy2 O1 119.8(3) . . ?
O9 Dy2 O13 74.8(3) . . ?
O9 Dy2 O14 79.6(3) . . ?
O10 Dy2 O1 148.4(3) . . ?
O10 Dy2 O2 111.1(3) . . ?
O10 Dy2 O5 81.7(3) . . ?
O10 Dy2 O6 72.3(3) . . ?
O10 Dy2 O9 74.1(3) . . ?
O10 Dy2 O13 136.9(3) . . ?
O10 Dy2 O14 71.2(3) . . ?
O14 Dy2 O1 136.1(3) . . ?
O14 Dy2 O13 74.4(3) . . ?
C57 N1 C59 111.6(14) . . ?
C61 N1 C57 108.4(13) . . ?
C61 N1 C59 116.3(14) . . ?
C63 N2 C65 127.4(18) . . ?
C63 N2 C67 99.5(16) . . ?
C65 N2 C67 103.8(16) . . ?
C2 O1 Dy2 130.2(7) . . ?
C4 O2 Dy2 137.6(7) . . ?
C11 O3 Dy1 136.1(7) . . ?
C13 O4 Dy1 132.1(8) . . ?
C16 O5 Dy2 130.2(8) . . ?
C18 O6 Dy2 135.0(7) . . ?
C25 O7 Dy1 135.5(8) . . ?
C27 O8 Dy1 127.5(8) . . ?
C30 O9 Dy2 129.9(8) . . ?
C32 O10 Dy2 137.6(7) . . ?
C39 O11 Dy1 134.8(7) . . ?
C41 O12 Dy1 128.7(8) . . ?
C44 O13 Dy2 126.1(7) . . ?
C46 O14 Dy2 134.3(7) . . ?
C53 O15 Dy1 135.8(7) . . ?
C55 O16 Dy1 129.6(7) . . ?
F1 C1 F2 103.0(8) . . ?
F1 C1 C2 115.8(10) . . ?
F2 C1 C2 112.1(10) . . ?
F3 C1 F1 106.6(9) . . ?
F3 C1 F2 103.1(9) . . ?
F3 C1 C2 114.9(10) . . ?
O1 C2 C1 112.3(10) . . ?
O1 C2 C3 130.9(10) . . ?
C3 C2 C1 116.5(11) . . ?
C2 C3 H3 118.9 . . ?
C2 C3 C4 122.2(11) . . ?
C4 C3 H3 118.9 . . ?
O2 C4 C3 123.4(11) . . ?
O2 C4 C5 117.4(10) . . ?
C3 C4 C5 119.2(11) . . ?
C6 C5 C4 123.1(10) . . ?
C10 C5 C4 118.5(10) . . ?
C10 C5 C6 118.3(10) . . ?
C5 C6 H6 120.3 . . ?
C7 C6 C5 119.4(11) . . ?
C7 C6 H6 120.3 . . ?
C6 C7 H7 119.3 . . ?
C8 C7 C6 121.3(10) . . ?
C8 C7 H7 119.3 . . ?
C7 C8 H8 119.8 . . ?
C7 C8 C9 120.3(11) . . ?
C9 C8 H8 119.8 . . ?
C8 C9 C11 123.3(10) . . ?
C10 C9 C8 117.3(10) . . ?
C10 C9 C11 119.5(10) . . ?
C5 C10 C9 123.2(11) . . ?
C5 C10 H10 118.4 . . ?
C9 C10 H10 118.4 . . ?
O3 C11 C9 116.7(9) . . ?
O3 C11 C12 122.1(11) . . ?
C12 C11 C9 121.1(10) . . ?
C11 C12 H12 117.5 . . ?
C13 C12 C11 125.0(12) . . ?
C13 C12 H12 117.5 . . ?
O4 C13 C12 128.5(12) . . ?
O4 C13 C14 113.8(12) . . ?
C12 C13 C14 117.7(13) . . ?
F4 C14 F5 100.4(15) . . ?
F4 C14 C13 118.1(14) . . ?
F5 C14 C13 106.1(14) . . ?
F6 C14 F4 110.2(16) . . ?
F6 C14 F5 100.3(15) . . ?
F6 C14 C13 118.1(15) . . ?
F7 C15 F8 107.5(15) . . ?
F7 C15 F9 106.3(13) . . ?
F7 C15 C16 112.7(12) . . ?
F8 C15 F9 105.5(13) . . ?
F8 C15 C16 110.7(12) . . ?
F9 C15 C16 113.6(13) . . ?
O5 C16 C15 111.7(12) . . ?
O5 C16 C17 130.6(12) . . ?
C17 C16 C15 117.8(12) . . ?
C16 C17 H17 119.2 . . ?
C16 C17 C18 121.6(11) . . ?
C18 C17 H17 119.2 . . ?
O6 C18 C17 123.5(11) . . ?
O6 C18 C19 116.9(10) . . ?
C17 C18 C19 119.3(10) . . ?
C20 C19 C18 123.9(11) . . ?
C24 C19 C18 117.5(10) . . ?
C24 C19 C20 118.6(11) . . ?
C19 C20 H20 120.1 . . ?
C21 C20 C19 119.8(12) . . ?
C21 C20 H20 120.1 . . ?
C20 C21 H21 119.4 . . ?
C22 C21 C20 121.2(11) . . ?
C22 C21 H21 119.4 . . ?
C21 C22 H22 119.4 . . ?
C21 C22 C23 121.3(12) . . ?
C23 C22 H22 119.4 . . ?
C22 C23 C24 117.4(11) . . ?
C22 C23 C25 125.1(11) . . ?
C24 C23 C25 117.5(10) . . ?
C19 C24 C23 121.6(10) . . ?
C19 C24 H24 119.2 . . ?
C23 C24 H24 119.2 . . ?
O7 C25 C23 118.0(11) . . ?
O7 C25 C26 122.5(11) . . ?
C26 C25 C23 119.5(11) . . ?
C25 C26 H26 118.0 . . ?
C27 C26 C25 124.1(12) . . ?
C27 C26 H26 118.0 . . ?
O8 C27 C26 128.6(12) . . ?
O8 C27 C28 112.8(12) . . ?
C26 C27 C28 118.5(12) . . ?
F10 C28 F11 94.5(14) . . ?
F10 C28 C27 118.8(14) . . ?
F11 C28 C27 105.4(16) . . ?
F12 C28 F10 116.9(18) . . ?
F12 C28 F11 93.0(16) . . ?
F12 C28 C27 119.0(15) . . ?
F13 C29 F15 106.6(15) . . ?
F13 C29 C30 111.9(15) . . ?
F14 C29 F13 110.5(16) . . ?
F14 C29 F15 107.8(17) . . ?
F14 C29 C30 111.3(14) . . ?
F15 C29 C30 108.5(14) . . ?
O9 C30 C29 109.9(13) . . ?
O9 C30 C31 131.8(13) . . ?
C31 C30 C29 118.3(13) . . ?
C30 C31 H31 118.5 . . ?
C30 C31 C32 123.0(12) . . ?
C32 C31 H31 118.5 . . ?
O10 C32 C31 123.2(11) . . ?
O10 C32 C33 116.7(10) . . ?
C31 C32 C33 120.1(11) . . ?
C34 C33 C32 123.9(12) . . ?
C34 C33 C38 118.5(12) . . ?
C38 C33 C32 117.6(11) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 C33 120.0(12) . . ?
C35 C34 H34 120.0 . . ?
C34 C35 H35 119.3 . . ?
C36 C35 C34 121.4(12) . . ?
C36 C35 H35 119.3 . . ?
C35 C36 H36 120.2 . . ?
C35 C36 C37 119.7(12) . . ?
C37 C36 H36 120.2 . . ?
C36 C37 C39 122.1(11) . . ?
C38 C37 C36 119.3(12) . . ?
C38 C37 C39 118.5(11) . . ?
C33 C38 H38 119.5 . . ?
C37 C38 C33 121.0(12) . . ?
C37 C38 H38 119.5 . . ?
O11 C39 C37 116.6(10) . . ?
O11 C39 C40 123.2(12) . . ?
C40 C39 C37 120.1(11) . . ?
C39 C40 H40 117.5 . . ?
C41 C40 C39 125.1(12) . . ?
C41 C40 H40 117.5 . . ?
O12 C41 C40 129.7(11) . . ?
O12 C41 C42 116.8(13) . . ?
C40 C41 C42 113.4(13) . . ?
F16 C42 F17 97.0(14) . . ?
F16 C42 F18 110.4(16) . . ?
F16 C42 C41 123.1(16) . . ?
F17 C42 C41 108.6(15) . . ?
F18 C42 F17 96.0(14) . . ?
F18 C42 C41 116.0(14) . . ?
F19 C43 C44 115.6(13) . . ?
F20 C43 F19 104.8(14) . . ?
F20 C43 C44 110.1(14) . . ?
F21 C43 F19 106.1(13) . . ?
F21 C43 F20 107.2(14) . . ?
F21 C43 C44 112.5(13) . . ?
O13 C44 C43 112.5(11) . . ?
O13 C44 C45 131.0(11) . . ?
C45 C44 C43 116.5(11) . . ?
C44 C45 H45 118.2 . . ?
C44 C45 C46 123.6(11) . . ?
C46 C45 H45 118.2 . . ?
O14 C46 C45 123.7(11) . . ?
O14 C46 C47 117.6(10) . . ?
C45 C46 C47 118.6(10) . . ?
C48 C47 C46 123.6(10) . . ?
C52 C47 C46 117.3(10) . . ?
C52 C47 C48 119.2(11) . . ?
C47 C48 H48 119.7 . . ?
C49 C48 C47 120.5(11) . . ?
C49 C48 H48 119.7 . . ?
C48 C49 H49 119.7 . . ?
C48 C49 C50 120.5(10) . . ?
C50 C49 H49 119.7 . . ?
C49 C50 H50 120.7 . . ?
C51 C50 C49 118.7(11) . . ?
C51 C50 H50 120.7 . . ?
C50 C51 C52 119.8(10) . . ?
C50 C51 C53 122.1(11) . . ?
C52 C51 C53 118.1(9) . . ?
C47 C52 C51 121.2(10) . . ?
C47 C52 H52 119.4 . . ?
C51 C52 H52 119.4 . . ?
O15 C53 C51 115.4(10) . . ?
O15 C53 C54 124.6(10) . . ?
C54 C53 C51 120.0(10) . . ?
C53 C54 H54 119.1 . . ?
C55 C54 C53 121.8(11) . . ?
C55 C54 H54 119.1 . . ?
O16 C55 C54 129.7(11) . . ?
O16 C55 C56 113.3(11) . . ?
C54 C55 C56 117.0(12) . . ?
F22 C56 C55 112.7(11) . . ?
F23 C56 F22 105.2(11) . . ?
F23 C56 C55 113.1(13) . . ?
F24 C56 F22 106.9(14) . . ?
F24 C56 F23 108.9(13) . . ?
F24 C56 C55 109.7(11) . . ?
N1 C57 H57A 108.6 . . ?
N1 C57 H57B 108.6 . . ?
H57A C57 H57B 107.6 . . ?
C58 C57 N1 114.7(16) . . ?
C58 C57 H57A 108.6 . . ?
C58 C57 H57B 108.6 . . ?
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 . . ?
N1 C59 H59A 109.8 . . ?
N1 C59 H59B 109.8 . . ?
N1 C59 C60 109.5(14) . . ?
H59A C59 H59B 108.2 . . ?
C60 C59 H59A 109.8 . . ?
C60 C59 H59B 109.8 . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
C59 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
N1 C61 H61A 108.8 . . ?
N1 C61 H61B 108.8 . . ?
N1 C61 C62 113.7(16) . . ?
H61A C61 H61B 107.7 . . ?
C62 C61 H61A 108.8 . . ?
C62 C61 H61B 108.8 . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
N2 C63 H63A 111.0 . . ?
N2 C63 H63B 111.0 . . ?
N2 C63 C64 104.0(18) . . ?
H63A C63 H63B 109.0 . . ?
C64 C63 H63A 111.0 . . ?
C64 C63 H63B 111.0 . . ?
C63 C64 H64A 109.5 . . ?
C63 C64 H64B 109.5 . . ?
C63 C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
N2 C65 H65A 108.1 . . ?
N2 C65 H65B 108.1 . . ?
N2 C65 C66 116.7(15) . . ?
H65A C65 H65B 107.3 . . ?
C66 C65 H65A 108.1 . . ?
C66 C65 H65B 108.1 . . ?
C65 C66 H66A 109.5 . . ?
C65 C66 H66B 109.5 . . ?
C65 C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
N2 C67 H67A 109.2 . . ?
N2 C67 H67B 109.2 . . ?
H67A C67 H67B 107.9 . . ?
C68 C67 N2 112(2) . . ?
C68 C67 H67A 109.2 . . ?
C68 C67 H67B 109.2 . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
C67 C68 H68C 109.5 . . ?
H68A C68 H68B 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 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 O3 C11 C9 -163.3(7) . . . . ?
Dy1 O3 C11 C12 14.3(16) . . . . ?
Dy1 O4 C13 C12 -3(2) . . . . ?
Dy1 O4 C13 C14 175.4(10) . . . . ?
Dy1 O7 C25 C23 -162.9(7) . . . . ?
Dy1 O7 C25 C26 14.4(17) . . . . ?
Dy1 O8 C27 C26 -30.1(18) . . . . ?
Dy1 O8 C27 C28 146.5(10) . . . . ?
Dy1 O11 C39 C37 -160.7(7) . . . . ?
Dy1 O11 C39 C40 17.5(18) . . . . ?
Dy1 O12 C41 C40 -13(2) . . . . ?
Dy1 O12 C41 C42 161.8(10) . . . . ?
Dy1 O15 C53 C51 -162.5(7) . . . . ?
Dy1 O15 C53 C54 15.2(19) . . . . ?
Dy1 O16 C55 C54 -27.4(19) . . . . ?
Dy1 O16 C55 C56 152.7(8) . . . . ?
Dy2 O1 C2 C1 158.5(8) . . . . ?
Dy2 O1 C2 C3 -15(2) . . . . ?
Dy2 O2 C4 C3 11.1(18) . . . . ?
Dy2 O2 C4 C5 -166.6(7) . . . . ?
Dy2 O5 C16 C15 158.5(9) . . . . ?
Dy2 O5 C16 C17 -21(2) . . . . ?
Dy2 O6 C18 C17 14.4(18) . . . . ?
Dy2 O6 C18 C19 -159.4(7) . . . . ?
Dy2 O9 C30 C29 176.5(9) . . . . ?
Dy2 O9 C30 C31 -1(2) . . . . ?
Dy2 O10 C32 C31 8.6(18) . . . . ?
Dy2 O10 C32 C33 -168.9(7) . . . . ?
Dy2 O13 C44 C43 153.9(10) . . . . ?
Dy2 O13 C44 C45 -25(2) . . . . ?
Dy2 O14 C46 C45 17.4(18) . . . . ?
Dy2 O14 C46 C47 -160.2(7) . . . . ?
F1 C1 C2 O1 28.0(16) . . . . ?
F1 C1 C2 C3 -157.8(11) . . . . ?
F2 C1 C2 O1 -89.8(13) . . . . ?
F2 C1 C2 C3 84.5(14) . . . . ?
F3 C1 C2 O1 152.9(12) . . . . ?
F3 C1 C2 C3 -32.8(16) . . . . ?
F7 C15 C16 O5 60.9(17) . . . . ?
F7 C15 C16 C17 -119.3(15) . . . . ?
F8 C15 C16 O5 -59.6(17) . . . . ?
F8 C15 C16 C17 120.3(15) . . . . ?
F9 C15 C16 O5 -178.1(12) . . . . ?
F9 C15 C16 C17 2(2) . . . . ?
F13 C29 C30 O9 179.0(14) . . . . ?
F13 C29 C30 C31 -3(2) . . . . ?
F14 C29 C30 O9 -56.8(18) . . . . ?
F14 C29 C30 C31 121.3(16) . . . . ?
F15 C29 C30 O9 61.7(18) . . . . ?
F15 C29 C30 C31 -120.2(16) . . . . ?
F19 C43 C44 O13 165.4(13) . . . . ?
F19 C43 C44 C45 -15(2) . . . . ?
F20 C43 C44 O13 -76.1(16) . . . . ?
F20 C43 C44 C45 103.2(15) . . . . ?
F21 C43 C44 O13 43(2) . . . . ?
F21 C43 C44 C45 -137.4(14) . . . . ?
O1 C2 C3 C4 4(2) . . . . ?
O2 C4 C5 C6 -148.4(10) . . . . ?
O2 C4 C5 C10 32.0(14) . . . . ?
O3 C11 C12 C13 0.6(19) . . . . ?
O4 C13 C14 F4 -171.0(16) . . . . ?
O4 C13 C14 F5 77.4(17) . . . . ?
O4 C13 C14 F6 -34(2) . . . . ?
O5 C16 C17 C18 1(2) . . . . ?
O6 C18 C19 C20 -149.0(11) . . . . ?
O6 C18 C19 C24 29.7(16) . . . . ?
O7 C25 C26 C27 1.8(19) . . . . ?
O8 C27 C28 F10 -160.5(16) . . . . ?
O8 C27 C28 F11 95.4(15) . . . . ?
O8 C27 C28 F12 -7(3) . . . . ?
O9 C30 C31 C32 -1(2) . . . . ?
O10 C32 C33 C34 -151.6(11) . . . . ?
O10 C32 C33 C38 26.6(15) . . . . ?
O11 C39 C40 C41 0(2) . . . . ?
O12 C41 C42 F16 -158.0(18) . . . . ?
O12 C41 C42 F17 90.1(17) . . . . ?
O12 C41 C42 F18 -17(2) . . . . ?
O13 C44 C45 C46 6(2) . . . . ?
O14 C46 C47 C48 -148.7(12) . . . . ?
O14 C46 C47 C52 32.2(16) . . . . ?
O15 C53 C54 C55 -4(2) . . . . ?
O16 C55 C56 F22 160.2(11) . . . . ?
O16 C55 C56 F23 40.9(16) . . . . ?
O16 C55 C56 F24 -80.9(16) . . . . ?
C1 C2 C3 C4 -168.9(11) . . . . ?
C2 C3 C4 O2 -1.3(19) . . . . ?
C2 C3 C4 C5 176.3(11) . . . . ?
C3 C4 C5 C6 33.8(15) . . . . ?
C3 C4 C5 C10 -145.8(10) . . . . ?
C4 C5 C6 C7 177.5(9) . . . . ?
C4 C5 C10 C9 -177.8(9) . . . . ?
C5 C6 C7 C8 0.4(16) . . . . ?
C6 C5 C10 C9 2.6(15) . . . . ?
C6 C7 C8 C9 2.5(16) . . . . ?
C7 C8 C9 C10 -2.8(15) . . . . ?
C7 C8 C9 C11 177.3(9) . . . . ?
C8 C9 C10 C5 0.2(15) . . . . ?
C8 C9 C11 O3 -156.4(10) . . . . ?
C8 C9 C11 C12 26.0(16) . . . . ?
C9 C11 C12 C13 178.1(11) . . . . ?
C10 C5 C6 C7 -2.9(15) . . . . ?
C10 C9 C11 O3 23.7(14) . . . . ?
C10 C9 C11 C12 -153.9(10) . . . . ?
C11 C9 C10 C5 -179.9(9) . . . . ?
C11 C12 C13 O4 -6(2) . . . . ?
C11 C12 C13 C14 175.7(13) . . . . ?
C12 C13 C14 F4 8(2) . . . . ?
C12 C13 C14 F5 -104.1(16) . . . . ?
C12 C13 C14 F6 144.5(17) . . . . ?
C15 C16 C17 C18 -179.1(12) . . . . ?
C16 C17 C18 O6 3(2) . . . . ?
C16 C17 C18 C19 177.1(11) . . . . ?
C17 C18 C19 C20 36.9(17) . . . . ?
C17 C18 C19 C24 -144.4(11) . . . . ?
C18 C19 C20 C21 175.8(11) . . . . ?
C18 C19 C24 C23 -174.8(10) . . . . ?
C19 C20 C21 C22 -0.5(19) . . . . ?
C20 C19 C24 C23 4.0(17) . . . . ?
C20 C21 C22 C23 2.8(19) . . . . ?
C21 C22 C23 C24 -1.7(17) . . . . ?
C21 C22 C23 C25 175.7(11) . . . . ?
C22 C23 C24 C19 -1.8(17) . . . . ?
C22 C23 C25 O7 -141.6(11) . . . . ?
C22 C23 C25 C26 41.0(17) . . . . ?
C23 C25 C26 C27 179.0(11) . . . . ?
C24 C19 C20 C21 -2.8(18) . . . . ?
C24 C23 C25 O7 35.7(15) . . . . ?
C24 C23 C25 C26 -141.6(11) . . . . ?
C25 C23 C24 C19 -179.3(10) . . . . ?
C25 C26 C27 O8 8(2) . . . . ?
C25 C26 C27 C28 -168.7(13) . . . . ?
C26 C27 C28 F10 16(3) . . . . ?
C26 C27 C28 F11 -87.7(17) . . . . ?
C26 C27 C28 F12 170.0(19) . . . . ?
C29 C30 C31 C32 -178.1(12) . . . . ?
C30 C31 C32 O10 -3(2) . . . . ?
C30 C31 C32 C33 174.6(12) . . . . ?
C31 C32 C33 C34 30.8(17) . . . . ?
C31 C32 C33 C38 -151.0(11) . . . . ?
C32 C33 C34 C35 177.6(11) . . . . ?
C32 C33 C38 C37 -179.5(10) . . . . ?
C33 C34 C35 C36 1.2(19) . . . . ?
C34 C33 C38 C37 -1.2(17) . . . . ?
C34 C35 C36 C37 -0.1(19) . . . . ?
C35 C36 C37 C38 -1.6(17) . . . . ?
C35 C36 C37 C39 -178.4(10) . . . . ?
C36 C37 C38 C33 2.3(17) . . . . ?
C36 C37 C39 O11 -150.5(11) . . . . ?
C36 C37 C39 C40 31.3(17) . . . . ?
C37 C39 C40 C41 178.3(12) . . . . ?
C38 C33 C34 C35 -0.6(18) . . . . ?
C38 C37 C39 O11 32.7(15) . . . . ?
C38 C37 C39 C40 -145.6(12) . . . . ?
C39 C37 C38 C33 179.2(10) . . . . ?
C39 C40 C41 O12 -2(2) . . . . ?
C39 C40 C41 C42 -176.2(13) . . . . ?
C40 C41 C42 F16 17(3) . . . . ?
C40 C41 C42 F17 -94.6(17) . . . . ?
C40 C41 C42 F18 158.8(16) . . . . ?
C43 C44 C45 C46 -173.3(13) . . . . ?
C44 C45 C46 O14 0(2) . . . . ?
C44 C45 C46 C47 177.5(12) . . . . ?
C45 C46 C47 C48 33.6(18) . . . . ?
C45 C46 C47 C52 -145.5(11) . . . . ?
C46 C47 C48 C49 177.3(12) . . . . ?
C46 C47 C52 C51 -176.6(11) . . . . ?
C47 C48 C49 C50 0(2) . . . . ?
C48 C47 C52 C51 4.3(18) . . . . ?
C48 C49 C50 C51 2.5(19) . . . . ?
C49 C50 C51 C52 -1.9(18) . . . . ?
C49 C50 C51 C53 175.8(11) . . . . ?
C50 C51 C52 C47 -1.5(18) . . . . ?
C50 C51 C53 O15 -144.0(12) . . . . ?
C50 C51 C53 C54 38.3(17) . . . . ?
C51 C53 C54 C55 173.1(11) . . . . ?
C52 C47 C48 C49 -3.6(19) . . . . ?
C52 C51 C53 O15 33.8(16) . . . . ?
C52 C51 C53 C54 -144.0(12) . . . . ?
C53 C51 C52 C47 -179.3(11) . . . . ?
C53 C54 C55 O16 12(2) . . . . ?
C53 C54 C55 C56 -168.3(11) . . . . ?
C54 C55 C56 F22 -19.7(18) . . . . ?
C54 C55 C56 F23 -139.0(12) . . . . ?
C54 C55 C56 F24 99.2(15) . . . . ?
C57 N1 C59 C60 -64.7(18) . . . . ?
C57 N1 C61 C62 -176.6(16) . . . . ?
C59 N1 C57 C58 -159.1(15) . . . . ?
C59 N1 C61 C62 57(2) . . . . ?
C61 N1 C57 C58 72(2) . . . . ?
C61 N1 C59 C60 60(2) . . . . ?
C63 N2 C65 C66 -43(3) . . . . ?
C63 N2 C67 C68 -80(2) . . . . ?
C65 N2 C63 C64 -65(2) . . . . ?
C65 N2 C67 C68 148(2) . . . . ?
C67 N2 C63 C64 179.6(15) . . . . ?
C67 N2 C65 C66 71(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 1.394
_oxdiff_exptl_absorpt_empirical_full_min 0.839
####################################################################### 
# 
# 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_exp_11720
_database_code_depnum_ccdc_archive 'CCDC 2203524'
loop_
_audit_author_name
_audit_author_address
'sheng zhang'
;Hainan University
China
;
_audit_update_record             
;
2022-12-07 deposited with the CCDC.	2023-01-02 downloaded from the CCDC.
;
_audit_creation_date             2022-11-22
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C78 H38 Dy2 F18 N8 O12'
_chemical_formula_sum            'C78 H38 Dy2 F18 N8 O12'
_chemical_formula_weight         1946.16
_chemical_melting_point          ?
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'
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'
N N 0.0311 0.0180 '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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   19.5237(5)
_cell_length_b                   20.9359(4)
_cell_length_c                   21.2684(10)
_cell_angle_alpha                90
_cell_angle_beta                 117.146(5)
_cell_angle_gamma                90
_cell_volume                     7735.7(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    10274
_cell_measurement_temperature    293.0(2)
_cell_measurement_theta_max      71.1300
_cell_measurement_theta_min      3.2840
_shelx_estimated_absorpt_T_max   0.553
_shelx_estimated_absorpt_T_min   0.468
_exptl_absorpt_coefficient_mu    11.191
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.22709
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.671
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3808
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0366
_diffrn_reflns_av_unetI/netI     0.0315
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            25535
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.238
_diffrn_reflns_theta_max         67.238
_diffrn_reflns_theta_min         3.306
_diffrn_ambient_temperature      293.0(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.1281
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -29.00  70.00   1.00    4.00    --    0.00  77.00-180.00   99
  2  ω      5.00  42.00   1.00    4.00    --    0.00 -99.00  30.00   37
  3  ω    -67.00 -36.00   1.00    4.00    --    0.00 178.00 -30.00   31
  4  ω     31.00  66.00   1.00    4.00    --    0.00  57.00 -90.00   35
  5  ω    -20.00   8.00   1.00    4.00    --    0.00  57.00 -90.00   28
  6  ω     -3.00  75.00   1.00   14.00    --   54.63 -57.00-180.00   78
  7  ω    -16.00  99.00   1.00   14.00    --   54.63 -19.00 -30.00  115
  8  ω    -16.00  58.00   1.00   14.00    --   54.63 -77.00 -60.00   74
  9  ω    -13.00  20.00   1.00   14.00    --   54.63 -57.00 -60.00   33
 10  ω     16.00  80.00   1.00   14.00    --   54.63 -37.00  60.00   64
 11  ω     37.00 109.00   1.00   14.00    --   54.63-125.00 120.00   72
 12  ω     90.00 123.00   1.00   14.00    --   54.63  57.00 150.00   33
 13  ω     32.00  71.00   1.00   14.00    --   54.63 -57.00 -60.00   39
 14  ω     41.00 130.00   1.00   14.00    --  109.26 -50.00 150.00   89
 15  ω     87.00 178.00   1.00   14.00    --  109.26  50.00-180.00   91
 16  ω     38.00 109.00   1.00   14.00    --  109.26-111.00  60.00   71
 17  ω     38.00  66.00   1.00   14.00    --  109.26 -91.00  60.00   28
 18  ω     37.00 129.00   1.00   14.00    --  109.26 -37.00-120.00   92
 19  ω     88.00 113.00   1.00   14.00    --  109.26-111.00 -30.00   25
 20  ω     57.00 113.00   1.00   14.00    --  109.26-111.00-120.00   56
 21  ω     53.00 138.00   1.00   14.00    --  109.26 -77.00-120.00   85
 22  ω     48.00 171.00   1.00   14.00    --  109.26  12.00 150.00  123
 23  ω     39.00 127.00   1.00   14.00    --  109.26 -50.00  30.00   88
 24  ω     68.00 141.00   1.00   14.00    --  109.26 -91.00  60.00   73
 25  ω    153.00 178.00   1.00   14.00    --  109.26  12.00 -60.00   25
 26  ω     43.00 128.00   1.00   14.00    --  109.26  12.00 -60.00   85
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0820004000
_diffrn_orient_matrix_UB_12      0.0081865000
_diffrn_orient_matrix_UB_13      0.0078874000
_diffrn_orient_matrix_UB_21      0.0319996000
_diffrn_orient_matrix_UB_22      0.0035470000
_diffrn_orient_matrix_UB_23      0.0808710000
_diffrn_orient_matrix_UB_31      0.0107366000
_diffrn_orient_matrix_UB_32      -0.0729841000
_diffrn_orient_matrix_UB_33      0.0047360000
_diffrn_radiation_collimation    ?
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_target            ?
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5803
_reflns_number_total             6936
_reflns_odcompleteness_completeness 99.99
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_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    'SIR2004 (Burla et al.,  2007)'
_refine_diff_density_max         1.355
_refine_diff_density_min         -2.228
_refine_diff_density_rms         0.089
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     561
_refine_ls_number_reflns         6936
_refine_ls_number_restraints     126
_refine_ls_R_factor_all          0.0560
_refine_ls_R_factor_gt           0.0464
_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)+(0.0855P)²+11.1086P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1240
_refine_ls_wR_factor_ref         0.1325
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
F7 \\sim F8 \\sim F9 \\sim F7' \\sim F8' \\sim F9' \\sim C33: within 3.8A with
sigma of 0.02 and sigma for terminal atoms of 0.04
3. Others
 Sof(F7')=Sof(F9')=Sof(F8')=1-FVAR(1)
 Sof(F7)=Sof(F8)=Sof(F9)=FVAR(1)
4.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C8(H8), C9(H9), C10(H10), C14(H14), C15(H15),
 C16(H16), C17(H17), C21(H21), C24(H24), C25(H25), C26(H26), C28(H28), C30(H30),
  C35(H35), C38(H38), C39(H39), C40(H40)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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 0.27180(2) 0.08821(2) 0.20046(2) 0.04115(12) Uani 1 1 d . . . . .
F1 F 0.0790(2) 0.0652(3) -0.0428(3) 0.1177(16) Uani 1 1 d . . . . .
F2 F 0.1548(3) 0.0054(2) -0.0548(3) 0.139(2) Uani 1 1 d . . . . .
F3 F 0.1353(4) 0.0995(3) -0.0969(3) 0.165(3) Uani 1 1 d . . . . .
F4 F 0.8591(2) 0.1908(3) 0.1879(3) 0.1195(18) Uani 1 1 d . . . . .
F5 F 0.8150(3) 0.1199(3) 0.1089(3) 0.1243(19) Uani 1 1 d . . . . .
F6 F 0.7722(3) 0.2127(3) 0.0866(3) 0.135(2) Uani 1 1 d . . . . .
F7 F 0.0918(8) -0.0594(7) 0.0759(13) 0.108(4) Uani 0.527(18) 1 d . U . A 1
F8 F 0.1145(11) -0.1187(9) 0.1602(10) 0.127(6) Uani 0.527(18) 1 d . U . A 1
F9 F 0.1535(5) -0.1448(6) 0.0854(9) 0.108(5) Uani 0.527(18) 1 d . U . A 1
F7' F 0.1595(6) -0.1593(4) 0.1425(11) 0.108(5) Uani 0.473(18) 1 d . U . A 2
F9' F 0.1089(13) -0.0826(11) 0.0708(15) 0.138(7) Uani 0.473(18) 1 d . U . A 2
F8' F 0.1015(9) -0.0908(7) 0.1670(14) 0.113(5) Uani 0.473(18) 1 d . U . A 2
N1 N 0.1321(2) 0.1301(2) 0.1476(3) 0.0535(11) Uani 1 1 d . . . . .
N2 N 0.2524(2) 0.20997(19) 0.1814(2) 0.0447(9) Uani 1 1 d . . . . .
N3 N -0.0429(3) 0.3066(2) 0.0782(2) 0.0612(12) Uani 1 1 d . . . . .
N4 N 0.0823(3) 0.3908(2) 0.1128(3) 0.0643(12) Uani 1 1 d . . . . .
O1 O 0.20804(19) 0.06378(19) 0.0794(2) 0.0573(9) Uani 1 1 d . . . . .
O2 O 0.34725(17) 0.12292(16) 0.14797(18) 0.0453(7) Uani 1 1 d . . . . .
O3 O 0.62178(16) 0.12900(16) 0.20395(18) 0.0465(8) Uani 1 1 d . . . . .
O4 O 0.76256(19) 0.1106(2) 0.2110(2) 0.0564(9) Uani 1 1 d . . . . .
O5 O 0.36317(17) 0.00645(15) 0.22875(19) 0.0486(8) Uani 1 1 d . . . . .
O6 O 0.20856(18) -0.00552(16) 0.1929(2) 0.0566(9) Uani 1 1 d . . . . .
C1 C 0.0731(3) 0.0910(3) 0.1306(4) 0.0734(19) Uani 1 1 d . . . . .
H1 H 0.083141 0.047327 0.135578 0.088 Uiso 1 1 calc R . . . .
C2 C -0.0020(3) 0.1103(3) 0.1060(4) 0.082(2) Uani 1 1 d . . . . .
H2 H -0.041171 0.080520 0.095136 0.099 Uiso 1 1 calc R . . . .
C3 C -0.0179(3) 0.1742(3) 0.0979(4) 0.0683(16) Uani 1 1 d . . . . .
H3 H -0.068145 0.188746 0.081556 0.082 Uiso 1 1 calc R . . . .
C4 C 0.0426(3) 0.2173(3) 0.1146(3) 0.0490(11) Uani 1 1 d . . . . .
C5 C 0.0290(3) 0.2860(3) 0.1041(3) 0.0524(12) Uani 1 1 d . . . . .
C6 C 0.0920(3) 0.3282(3) 0.1212(3) 0.0531(12) Uani 1 1 d . . . . .
C7 C 0.1700(3) 0.3025(2) 0.1487(3) 0.0489(11) Uani 1 1 d . . . . .
C8 C 0.2340(3) 0.3417(3) 0.1657(3) 0.0613(14) Uani 1 1 d . . . . .
H8 H 0.228177 0.385752 0.160826 0.074 Uiso 1 1 calc R . . . .
C9 C 0.3047(3) 0.3147(3) 0.1894(3) 0.0605(14) Uani 1 1 d . . . . .
H9 H 0.347731 0.340185 0.200515 0.073 Uiso 1 1 calc R . . . .
C10 C 0.3121(3) 0.2487(2) 0.1968(3) 0.0517(12) Uani 1 1 d . . . . .
H10 H 0.360860 0.230842 0.213164 0.062 Uiso 1 1 calc R . . . .
C11 C 0.1818(3) 0.2364(2) 0.1572(3) 0.0433(10) Uani 1 1 d . . . . .
C12 C 0.1167(3) 0.1934(2) 0.1397(3) 0.0437(10) Uani 1 1 d . . . . .
C13 C -0.0531(4) 0.3704(3) 0.0695(3) 0.0687(17) Uani 1 1 d . . . . .
C14 C -0.1288(4) 0.3953(4) 0.0426(4) 0.088(2) Uani 1 1 d . . . . .
H14 H -0.170627 0.368387 0.031512 0.106 Uiso 1 1 calc R . . . .
C15 C -0.1389(5) 0.4601(5) 0.0333(5) 0.114(3) Uani 1 1 d . . . . .
H15 H -0.188469 0.476770 0.015172 0.137 Uiso 1 1 calc R . . . .
C16 C -0.0773(6) 0.5016(4) 0.0503(5) 0.109(3) Uani 1 1 d . . . . .
H16 H -0.086342 0.545244 0.042713 0.131 Uiso 1 1 calc R . . . .
C17 C -0.0050(5) 0.4793(4) 0.0776(4) 0.095(2) Uani 1 1 d . . . . .
H17 H 0.035921 0.507635 0.090188 0.113 Uiso 1 1 calc R . . . .
C18 C 0.0093(4) 0.4129(3) 0.0874(3) 0.0705(18) Uani 1 1 d . . . . .
C19 C 0.1455(3) 0.0639(3) -0.0437(4) 0.0689(16) Uani 1 1 d . . . . .
C20 C 0.2110(3) 0.0873(2) 0.0272(3) 0.0481(12) Uani 1 1 d . . . . .
C21 C 0.2653(3) 0.1283(2) 0.0254(3) 0.0510(12) Uani 1 1 d . . . . .
H21 H 0.257151 0.146880 -0.017205 0.061 Uiso 1 1 calc R . . . .
C22 C 0.3332(2) 0.1425(2) 0.0876(3) 0.0400(10) Uani 1 1 d . . . . .
C23 C 0.3950(2) 0.1797(2) 0.0811(2) 0.0391(9) Uani 1 1 d . . . . .
C24 C 0.3787(3) 0.2330(2) 0.0379(3) 0.0451(10) Uani 1 1 d . . . . .
H24 H 0.327991 0.246431 0.011693 0.054 Uiso 1 1 calc R . . . .
C25 C 0.4376(3) 0.2660(2) 0.0340(3) 0.0508(12) Uani 1 1 d . . . . .
H25 H 0.426757 0.303354 0.007445 0.061 Uiso 1 1 calc R . . . .
C26 C 0.5121(3) 0.2446(2) 0.0688(3) 0.0467(11) Uani 1 1 d . . . . .
H26 H 0.550849 0.265775 0.063271 0.056 Uiso 1 1 calc R . . . .
C27 C 0.5297(2) 0.1909(2) 0.1124(2) 0.0403(10) Uani 1 1 d . . . . .
C28 C 0.4706(2) 0.1603(2) 0.1202(3) 0.0404(10) Uani 1 1 d . . . . .
H28 H 0.482080 0.126626 0.151971 0.048 Uiso 1 1 calc R . . . .
C29 C 0.6094(2) 0.1648(2) 0.1523(3) 0.0420(10) Uani 1 1 d . . . . .
C30 C 0.6659(3) 0.1794(3) 0.1306(3) 0.0529(12) Uani 1 1 d . . . . .
H30 H 0.654674 0.208645 0.094271 0.063 Uiso 1 1 calc R . . . .
C31 C 0.7371(3) 0.1511(3) 0.1619(3) 0.0527(13) Uani 1 1 d . . . . .
C32 C 0.7960(3) 0.1689(4) 0.1355(4) 0.0721(17) Uani 1 1 d . . . . .
C33 C 0.1464(4) -0.0968(4) 0.1283(6) 0.089(2) Uani 1 1 d . U . . .
C34 C 0.2194(3) -0.0581(3) 0.1697(3) 0.0575(14) Uani 1 1 d . . . . .
C35 C 0.2872(3) -0.0835(2) 0.1762(4) 0.0619(16) Uani 1 1 d . . . . .
H35 H 0.286324 -0.123409 0.156577 0.074 Uiso 1 1 calc R . . . .
C36 C 0.3584(3) -0.0511(2) 0.2118(3) 0.0447(11) Uani 1 1 d . . . . .
C37 C 0.4314(3) -0.0871(2) 0.2309(3) 0.0408(10) Uani 1 1 d . . . . .
C38 C 0.4325(3) -0.1536(2) 0.2312(3) 0.0472(11) Uani 1 1 d . . . . .
H38 H 0.387003 -0.176067 0.218426 0.057 Uiso 1 1 calc R . . . .
C39 C 0.500000 -0.1865(3) 0.250000 0.0483(16) Uani 1 2 d S T P . .
H39 H 0.500000 -0.230927 0.250000 0.058 Uiso 1 2 calc RS T P . .
C40 C 0.500000 -0.0541(3) 0.250000 0.0427(14) Uani 1 2 d S T P . .
H40 H 0.499999 -0.009714 0.249997 0.051 Uiso 1 2 calc RS T P . .


_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 N1 2.583(4) . ?
Dy1 N2 2.582(4) . ?
Dy1 O1 2.348(4) . ?
Dy1 O2 2.333(3) . ?
Dy1 O3 2.308(3) 2_655 ?
Dy1 O4 2.316(4) 2_655 ?
Dy1 O5 2.344(3) . ?
Dy1 O6 2.285(3) . ?
F1 C19 1.307(7) . ?
F2 C19 1.274(8) . ?
F3 C19 1.292(8) . ?
F4 C32 1.310(8) . ?
F5 C32 1.305(8) . ?
F6 C32 1.304(8) . ?
F7 C33 1.38(2) . ?
F8 C33 1.204(19) . ?
F9 C33 1.406(13) . ?
F7' C33 1.340(13) . ?
F9' C33 1.14(3) . ?
F8' C33 1.46(3) . ?
N1 C1 1.322(7) . ?
N1 C12 1.354(6) . ?
N2 C10 1.333(6) . ?
N2 C11 1.350(6) . ?
N3 C5 1.325(6) . ?
N3 C13 1.349(8) . ?
N4 C6 1.324(7) . ?
N4 C18 1.355(8) . ?
O1 C20 1.241(6) . ?
O2 C22 1.253(6) . ?
O3 C29 1.258(6) . ?
O4 C31 1.260(7) . ?
O5 C36 1.249(5) . ?
O6 C34 1.263(7) . ?
C1 C2 1.374(8) . ?
C2 C3 1.366(9) . ?
C3 C4 1.399(8) . ?
C4 C5 1.461(7) . ?
C4 C12 1.386(6) . ?
C5 C6 1.421(8) . ?
C6 C7 1.461(7) . ?
C7 C8 1.398(7) . ?
C7 C11 1.402(7) . ?
C8 C9 1.357(8) . ?
C9 C10 1.391(7) . ?
C11 C12 1.459(6) . ?
C13 C14 1.419(8) . ?
C13 C18 1.414(10) . ?
C14 C15 1.371(11) . ?
C15 C16 1.392(13) . ?
C16 C17 1.342(11) . ?
C17 C18 1.416(9) . ?
C19 C20 1.547(8) . ?
C20 C21 1.378(7) . ?
C21 C22 1.413(7) . ?
C22 C23 1.495(6) . ?
C23 C24 1.386(7) . ?
C23 C28 1.384(6) . ?
C24 C25 1.377(7) . ?
C25 C26 1.372(8) . ?
C26 C27 1.397(7) . ?
C27 C28 1.395(6) . ?
C27 C29 1.494(6) . ?
C29 C30 1.412(6) . ?
C30 C31 1.371(7) . ?
C31 C32 1.537(7) . ?
C33 C34 1.523(8) . ?
C34 C35 1.375(8) . ?
C35 C36 1.416(7) . ?
C36 C37 1.495(6) . ?
C37 C38 1.393(6) . ?
C37 C40 1.391(6) . ?
C38 C39 1.374(6) . ?

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
N2 Dy1 N1 63.03(12) . . ?
O1 Dy1 N1 70.77(14) . . ?
O1 Dy1 N2 94.40(14) . . ?
O2 Dy1 N1 117.26(13) . . ?
O2 Dy1 N2 72.37(11) . . ?
O2 Dy1 O1 71.22(12) . . ?
O2 Dy1 O5 77.15(11) . . ?
O3 Dy1 N1 127.24(13) 2_655 . ?
O3 Dy1 N2 77.38(13) 2_655 . ?
O3 Dy1 O1 149.36(11) 2_655 . ?
O3 Dy1 O2 78.18(11) 2_655 . ?
O3 Dy1 O4 71.78(12) 2_655 2_655 ?
O3 Dy1 O5 76.72(11) 2_655 . ?
O4 Dy1 N1 69.21(14) 2_655 . ?
O4 Dy1 N2 81.47(13) 2_655 . ?
O4 Dy1 O1 136.86(12) 2_655 . ?
O4 Dy1 O2 143.71(13) 2_655 . ?
O4 Dy1 O5 114.05(13) 2_655 . ?
O5 Dy1 N1 152.65(12) . . ?
O5 Dy1 N2 143.26(11) . . ?
O5 Dy1 O1 94.76(13) . . ?
O6 Dy1 N1 80.29(12) . . ?
O6 Dy1 N2 143.23(12) . . ?
O6 Dy1 O1 74.75(14) . . ?
O6 Dy1 O2 132.30(13) . . ?
O6 Dy1 O3 128.31(13) . 2_655 ?
O6 Dy1 O4 83.26(14) . 2_655 ?
O6 Dy1 O5 73.41(11) . . ?
C1 N1 Dy1 121.6(4) . . ?
C1 N1 C12 117.2(4) . . ?
C12 N1 Dy1 121.1(3) . . ?
C10 N2 Dy1 120.9(3) . . ?
C10 N2 C11 118.1(4) . . ?
C11 N2 Dy1 121.0(3) . . ?
C5 N3 C13 116.2(5) . . ?
C6 N4 C18 116.8(6) . . ?
C20 O1 Dy1 132.6(3) . . ?
C22 O2 Dy1 134.5(3) . . ?
C29 O3 Dy1 136.6(3) . 2_655 ?
C31 O4 Dy1 131.3(3) . 2_655 ?
C36 O5 Dy1 133.1(3) . . ?
C34 O6 Dy1 126.4(3) . . ?
N1 C1 C2 124.5(6) . . ?
C3 C2 C1 118.5(6) . . ?
C2 C3 C4 118.9(5) . . ?
C3 C4 C5 121.5(5) . . ?
C12 C4 C3 118.5(5) . . ?
C12 C4 C5 119.9(5) . . ?
N3 C5 C4 118.0(5) . . ?
N3 C5 C6 122.3(5) . . ?
C6 C5 C4 119.8(4) . . ?
N4 C6 C5 121.8(5) . . ?
N4 C6 C7 118.5(5) . . ?
C5 C6 C7 119.7(5) . . ?
C8 C7 C6 122.1(5) . . ?
C8 C7 C11 118.1(5) . . ?
C11 C7 C6 119.8(5) . . ?
C9 C8 C7 119.4(5) . . ?
C8 C9 C10 119.4(5) . . ?
N2 C10 C9 122.9(5) . . ?
N2 C11 C7 122.3(4) . . ?
N2 C11 C12 117.6(4) . . ?
C7 C11 C12 120.1(4) . . ?
N1 C12 C4 122.3(4) . . ?
N1 C12 C11 117.0(4) . . ?
C4 C12 C11 120.7(4) . . ?
N3 C13 C14 118.8(7) . . ?
N3 C13 C18 122.0(5) . . ?
C18 C13 C14 119.2(7) . . ?
C15 C14 C13 118.6(8) . . ?
C14 C15 C16 121.9(7) . . ?
C17 C16 C15 120.6(8) . . ?
C16 C17 C18 120.2(9) . . ?
N4 C18 C13 120.9(5) . . ?
N4 C18 C17 119.7(7) . . ?
C13 C18 C17 119.4(6) . . ?
F1 C19 C20 111.4(6) . . ?
F2 C19 F1 104.4(6) . . ?
F2 C19 F3 111.7(7) . . ?
F2 C19 C20 111.1(5) . . ?
F3 C19 F1 104.1(6) . . ?
F3 C19 C20 113.5(5) . . ?
O1 C20 C19 113.1(5) . . ?
O1 C20 C21 128.5(5) . . ?
C21 C20 C19 118.4(5) . . ?
C20 C21 C22 120.6(5) . . ?
O2 C22 C21 124.3(4) . . ?
O2 C22 C23 117.2(4) . . ?
C21 C22 C23 118.3(4) . . ?
C24 C23 C22 121.9(4) . . ?
C28 C23 C22 118.4(4) . . ?
C28 C23 C24 119.7(4) . . ?
C25 C24 C23 119.8(4) . . ?
C26 C25 C24 120.8(5) . . ?
C25 C26 C27 120.1(4) . . ?
C26 C27 C29 123.3(4) . . ?
C28 C27 C26 118.8(4) . . ?
C28 C27 C29 117.9(4) . . ?
C23 C28 C27 120.4(4) . . ?
O3 C29 C27 116.7(4) . . ?
O3 C29 C30 123.2(4) . . ?
C30 C29 C27 120.1(4) . . ?
C31 C30 C29 121.2(5) . . ?
O4 C31 C30 128.5(4) . . ?
O4 C31 C32 112.9(5) . . ?
C30 C31 C32 118.6(5) . . ?
F4 C32 C31 110.2(5) . . ?
F5 C32 F4 107.4(6) . . ?
F5 C32 C31 112.1(6) . . ?
F6 C32 F4 106.7(6) . . ?
F6 C32 F5 105.9(6) . . ?
F6 C32 C31 114.1(5) . . ?
F7 C33 F9 98.6(12) . . ?
F7 C33 C34 109.8(8) . . ?
F8 C33 F7 105.3(15) . . ?
F8 C33 F9 108.9(11) . . ?
F8 C33 C34 117.7(12) . . ?
F9 C33 C34 114.4(7) . . ?
F7' C33 F8' 93.3(12) . . ?
F7' C33 C34 110.9(7) . . ?
F9' C33 F7' 117.4(14) . . ?
F9' C33 F8' 109.0(18) . . ?
F9' C33 C34 117.1(14) . . ?
F8' C33 C34 105.8(10) . . ?
O6 C34 C33 114.3(5) . . ?
O6 C34 C35 128.7(5) . . ?
C35 C34 C33 117.1(6) . . ?
C34 C35 C36 122.2(5) . . ?
O5 C36 C35 122.8(4) . . ?
O5 C36 C37 118.1(4) . . ?
C35 C36 C37 119.1(4) . . ?
C38 C37 C36 121.0(4) . . ?
C40 C37 C36 120.1(4) . . ?
C40 C37 C38 118.9(4) . . ?
C39 C38 C37 120.9(5) . . ?
C38 C39 C38 119.8(6) 2_655 . ?
C37 C40 C37 120.6(6) 2_655 . ?

_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 2.901
_oxdiff_exptl_absorpt_empirical_full_min 0.583
####################################################################### 
# 
# 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_11490
_database_code_depnum_ccdc_archive 'CCDC 2203529'
loop_
_audit_author_name
_audit_author_address
'sheng zhang'
;Hainan University
China
;
_audit_update_record             
;
2022-12-07 deposited with the CCDC.	2023-01-02 downloaded from the CCDC.
;
_audit_creation_date             2022-11-22
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C66 H34 Dy2 F18 N4 O12'
_chemical_formula_sum            'C66 H34 Dy2 F18 N4 O12'
_chemical_formula_weight         1741.97
_chemical_absolute_configuration ?
_chemical_melting_point          ?
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'
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'
N N 0.0311 0.0180 '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      orthorhombic
_space_group_IT_number           45
_space_group_name_H-M_alt        'I b a 2'
_space_group_name_Hall           'I 2 -2c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'x+1, -y+1, z+1/2'
'-x+1, y+1, z+1/2'

_cell_length_a                   17.5572(5)
_cell_length_b                   18.9503(6)
_cell_length_c                   21.1019(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     7020.9(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1854
_cell_measurement_temperature    293.0(2)
_cell_measurement_theta_max      26.482
_cell_measurement_theta_min      2.156
_shelx_estimated_absorpt_T_max   0.346
_shelx_estimated_absorpt_T_min   0.322
_exptl_absorpt_coefficient_mu    12.230
_exptl_absorpt_correction_T_max  0.84230
_exptl_absorpt_correction_T_min  0.68197
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            white
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    1.648
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3392
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0384
_diffrn_reflns_av_unetI/netI     0.0395
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            12424
_diffrn_reflns_point_group_measured_fraction_full 0.752
_diffrn_reflns_point_group_measured_fraction_max 0.752
_diffrn_reflns_theta_full        67.177
_diffrn_reflns_theta_max         67.177
_diffrn_reflns_theta_min         3.432
_diffrn_ambient_temperature      293.0(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_radiation_collimation    ?
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_target            ?
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.459
_reflns_Friedel_fraction_full    0.489
_reflns_Friedel_fraction_max     0.489
_reflns_number_gt                3927
_reflns_number_total             4712
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_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    'SIR2004  (Burla et al.,  2007)'
_refine_diff_density_max         0.644
_refine_diff_density_min         -0.496
_refine_diff_density_rms         0.082
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.014(8)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     459
_refine_ls_number_reflns         4712
_refine_ls_number_restraints     174
_refine_ls_R_factor_all          0.0589
_refine_ls_R_factor_gt           0.0485
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0926P)²+3.8417P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1284
_refine_ls_wR_factor_ref         0.1383
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.986(8)
 0.014(8)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
3. Restrained distances
 C15-F7 = C15-F8 = C15-F9
 1.32 with sigma of 0.01
 F7-F8 = F8-F9 = F9-F7
 2.28 with sigma of 0.01
 C14-F4 = C14-F5 = C14-F6
 1.32 with sigma of 0.01
 F4-F5 = F5-F6 = F6-F4
 2.28 with sigma of 0.01
 C1-F1 = C1-F2 = C1-F3
 1.32 with sigma of 0.01
 F1-F2 = F2-F3 = F3-F1
 2.28 with sigma of 0.01
4. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Others
 Fixed X: Dy1(0.075089)
 Fixed Y: Dy1(0.20322)
 Fixed Z: Dy1(-0.003851)
6.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C6(H6), C7(H7), C8(H8), C10(H10), C12(H12), C17(H17), C20(H20),
 C21(H21), C22(H22), C23(H23), C24(H24), C25(H25), C27(H27), C28(H28), C30(H30),
  C31(H31), C32(H32)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.075089 0.203220 -0.003851 0.0564(2) Uani 1 1 d . U . . .
F1 F 0.1007(14) 0.3152(7) -0.1971(8) 0.293(11) Uani 1 1 d D U . . .
F2 F 0.1940(7) 0.2513(10) -0.2379(7) 0.255(9) Uani 1 1 d D U . . .
F3 F 0.0742(8) 0.2252(7) -0.2599(6) 0.212(8) Uani 1 1 d D U . . .
F4 F 0.1683(7) -0.3746(6) -0.0891(10) 0.275(11) Uani 1 1 d D U . . .
F5 F 0.0843(10) -0.4131(6) -0.0203(7) 0.236(8) Uani 1 1 d D U . . .
F6 F 0.0517(10) -0.3989(6) -0.1216(8) 0.276(11) Uani 1 1 d D U . . .
F7 F 0.1686(7) 0.3433(7) 0.1637(5) 0.191(6) Uani 1 1 d D U . . .
F8 F 0.0484(7) 0.3556(6) 0.1939(6) 0.181(5) Uani 1 1 d D U . . .
F9 F 0.1270(9) 0.2864(6) 0.2496(5) 0.180(6) Uani 1 1 d D U . . .
N1 N 0.1662(5) 0.3067(4) -0.0074(9) 0.075(2) Uani 1 1 d . U . . .
N2 N 0.2061(5) 0.1800(5) 0.0440(6) 0.072(2) Uani 1 1 d . U . . .
O1 O 0.0988(5) 0.2351(4) -0.1082(5) 0.077(2) Uani 1 1 d . U . . .
O2 O 0.1216(4) 0.1008(4) -0.0549(4) 0.0597(16) Uani 1 1 d . U . . .
O3 O 0.0316(4) -0.1505(4) -0.0470(4) 0.0624(18) Uani 1 1 d . U . . .
O4 O 0.0115(5) -0.2933(4) -0.0243(4) 0.074(3) Uani 1 1 d . U . . .
O5 O 0.0695(4) 0.2659(4) 0.0902(4) 0.0666(19) Uani 1 1 d . U . . .
O6 O 0.0436(4) 0.1227(4) 0.0775(4) 0.0559(15) Uani 1 1 d . U . . .
C1 C 0.1216(8) 0.2498(7) -0.2163(6) 0.107(4) Uani 1 1 d D U . . .
C2 C 0.1193(7) 0.2042(6) -0.1554(6) 0.065(3) Uani 1 1 d . U . . .
C3 C 0.1397(7) 0.1326(6) -0.1610(6) 0.074(3) Uani 1 1 d . U . . .
H3 H 0.153765 0.115737 -0.200665 0.088 Uiso 1 1 calc R . . . .
C4 C 0.1399(5) 0.0858(6) -0.1101(5) 0.056(2) Uani 1 1 d . U . . .
C5 C 0.1588(6) 0.0111(6) -0.1245(6) 0.063(2) Uani 1 1 d . U . . .
C6 C 0.2157(8) -0.0047(8) -0.1683(8) 0.095(5) Uani 1 1 d . U . . .
H6 H 0.241423 0.031420 -0.189112 0.114 Uiso 1 1 calc R . . . .
C7 C 0.2335(9) -0.0741(8) -0.1805(9) 0.105(5) Uani 1 1 d . U . . .
H7 H 0.275994 -0.084818 -0.205048 0.126 Uiso 1 1 calc R . . . .
C8 C 0.1896(8) -0.1273(7) -0.1572(7) 0.087(4) Uani 1 1 d . U . . .
H8 H 0.196901 -0.173095 -0.171786 0.104 Uiso 1 1 calc R . . . .
C9 C 0.1336(6) -0.1140(6) -0.1114(6) 0.063(2) Uani 1 1 d . U . . .
C10 C 0.1191(6) -0.0449(6) -0.0969(5) 0.057(2) Uani 1 1 d . U . . .
H10 H 0.081315 -0.034862 -0.067384 0.068 Uiso 1 1 calc R . . . .
C11 C 0.0876(6) -0.1691(7) -0.0805(6) 0.063(3) Uani 1 1 d . U . . .
C12 C 0.1067(9) -0.2420(7) -0.0885(7) 0.079(3) Uani 1 1 d . U . . .
H12 H 0.148127 -0.253602 -0.113965 0.095 Uiso 1 1 calc R . . . .
C13 C 0.0661(8) -0.2960(6) -0.0598(7) 0.070(3) Uani 1 1 d . U . . .
C14 C 0.0938(8) -0.3743(7) -0.0733(7) 0.118(5) Uani 1 1 d D U . . .
C15 C 0.1102(7) 0.3126(7) 0.1926(6) 0.111(5) Uani 1 1 d D U . . .
C16 C 0.0845(7) 0.2478(7) 0.1452(7) 0.069(3) Uani 1 1 d . U . . .
C17 C 0.0814(8) 0.1807(7) 0.1708(7) 0.079(4) Uani 1 1 d . U . . .
H17 H 0.100009 0.173418 0.211583 0.095 Uiso 1 1 calc R . . . .
C18 C 0.0512(5) 0.1232(6) 0.1372(6) 0.056(2) Uani 1 1 d . U . . .
C19 C 0.0257(5) 0.0594(5) 0.1726(5) 0.054(2) Uani 1 1 d . U . . .
C20 C 0.0247(6) 0.0580(7) 0.2387(5) 0.068(3) Uani 1 1 d . U . . .
H20 H 0.041294 0.097376 0.261075 0.082 Uiso 1 1 calc R . . . .
C21 C 0.000000 0.000000 0.2714(8) 0.083(5) Uani 1 2 d S TU P . .
H21 H 0.000001 -0.000001 0.315486 0.099 Uiso 1 2 calc RS T P . .
C22 C 0.000000 0.000000 0.1401(7) 0.052(3) Uani 1 2 d S TU P . .
H22 H -0.000001 0.000002 0.096041 0.062 Uiso 1 2 calc RS T P . .
C23 C 0.2257(7) 0.1182(6) 0.0667(7) 0.076(3) Uani 1 1 d . U . . .
H23 H 0.192586 0.080505 0.060303 0.092 Uiso 1 1 calc R . . . .
C24 C 0.2935(8) 0.1052(8) 0.1002(8) 0.093(4) Uani 1 1 d . U . . .
H24 H 0.304602 0.060446 0.115685 0.112 Uiso 1 1 calc R . . . .
C25 C 0.3425(8) 0.1602(10) 0.1094(8) 0.095(4) Uani 1 1 d . U . . .
H25 H 0.387791 0.153034 0.131444 0.114 Uiso 1 1 calc R . . . .
C26 C 0.3247(7) 0.2281(9) 0.0856(7) 0.083(3) Uani 1 1 d . U . . .
C27 C 0.3720(9) 0.2861(11) 0.0916(9) 0.103(4) Uani 1 1 d . U . . .
H27 H 0.419444 0.280651 0.110458 0.123 Uiso 1 1 calc R . . . .
C28 C 0.3509(9) 0.3499(10) 0.0709(9) 0.106(4) Uani 1 1 d . U . . .
H28 H 0.383514 0.387828 0.077737 0.128 Uiso 1 1 calc R . . . .
C29 C 0.2793(9) 0.3626(8) 0.0380(8) 0.092(3) Uani 1 1 d . U . . .
C30 C 0.2565(9) 0.4244(8) 0.0146(9) 0.107(5) Uani 1 1 d . U . . .
H30 H 0.286400 0.464208 0.021123 0.128 Uiso 1 1 calc R . . . .
C31 C 0.1889(9) 0.4307(7) -0.0194(10) 0.108(5) Uani 1 1 d . U . . .
H31 H 0.172865 0.474451 -0.034219 0.129 Uiso 1 1 calc R . . . .
C32 C 0.1459(9) 0.3705(7) -0.0308(8) 0.099(5) Uani 1 1 d . U . . .
H32 H 0.101967 0.374093 -0.055238 0.119 Uiso 1 1 calc R . . . .
C33 C 0.2333(7) 0.3023(6) 0.0279(7) 0.072(3) Uani 1 1 d . U . . .
C34 C 0.2542(6) 0.2356(7) 0.0523(6) 0.068(3) Uani 1 1 d . U . . .


_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 N1 2.533(8) . ?
Dy1 N2 2.551(10) . ?
Dy1 O1 2.321(9) . ?
Dy1 O2 2.366(7) . ?
Dy1 O3 2.311(7) 2 ?
Dy1 O4 2.327(8) 2 ?
Dy1 O5 2.315(9) . ?
Dy1 O6 2.362(7) . ?
F1 C1 1.353(11) . ?
F2 C1 1.351(11) . ?
F3 C1 1.324(10) . ?
F4 C14 1.349(11) . ?
F5 C14 1.348(11) . ?
F6 C14 1.343(11) . ?
F7 C15 1.327(10) . ?
F8 C15 1.357(11) . ?
F9 C15 1.334(11) . ?
N1 C32 1.353(17) . ?
N1 C33 1.397(19) . ?
N2 C23 1.311(15) . ?
N2 C34 1.363(15) . ?
O1 C2 1.210(15) . ?
O2 C4 1.241(12) . ?
O3 C11 1.262(14) . ?
O4 C13 1.217(16) . ?
O5 C16 1.239(17) . ?
O6 C18 1.267(13) . ?
C1 C2 1.549(17) . ?
C2 C3 1.409(17) . ?
C3 H3 0.9300 . ?
C3 C4 1.392(16) . ?
C4 C5 1.486(15) . ?
C5 C6 1.393(17) . ?
C5 C10 1.397(15) . ?
C6 H6 0.9300 . ?
C6 C7 1.38(2) . ?
C7 H7 0.9300 . ?
C7 C8 1.361(19) . ?
C8 H8 0.9300 . ?
C8 C9 1.401(17) . ?
C9 C10 1.367(15) . ?
C9 C11 1.473(17) . ?
C10 H10 0.9300 . ?
C11 C12 1.431(18) . ?
C12 H12 0.9300 . ?
C12 C13 1.39(2) . ?
C13 C14 1.588(17) . ?
C15 C16 1.647(18) . ?
C16 C17 1.38(2) . ?
C17 H17 0.9300 . ?
C17 C18 1.404(17) . ?
C18 C19 1.490(15) . ?
C19 C20 1.396(15) . ?
C19 C22 1.393(12) . ?
C20 H20 0.9300 . ?
C20 C21 1.368(14) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?
C23 C24 1.406(18) . ?
C24 H24 0.9300 . ?
C24 C25 1.37(2) . ?
C25 H25 0.9300 . ?
C25 C26 1.42(2) . ?
C26 C27 1.38(2) . ?
C26 C34 1.430(19) . ?
C27 H27 0.9300 . ?
C27 C28 1.34(2) . ?
C28 H28 0.9300 . ?
C28 C29 1.46(2) . ?
C29 C30 1.33(2) . ?
C29 C33 1.415(17) . ?
C30 H30 0.9300 . ?
C30 C31 1.39(2) . ?
C31 H31 0.9300 . ?
C31 C32 1.390(19) . ?
C32 H32 0.9300 . ?
C33 C34 1.413(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
N1 Dy1 N2 64.9(4) . . ?
O1 Dy1 N1 69.9(5) . . ?
O1 Dy1 N2 105.0(3) . . ?
O1 Dy1 O2 73.7(3) . . ?
O1 Dy1 O4 75.6(3) . 2 ?
O1 Dy1 O6 154.1(3) . . ?
O2 Dy1 N1 113.8(3) . . ?
O2 Dy1 N2 74.2(3) . . ?
O3 Dy1 N1 146.7(4) 2 . ?
O3 Dy1 N2 144.3(3) 2 . ?
O3 Dy1 O1 83.3(3) 2 . ?
O3 Dy1 O2 75.2(2) 2 . ?
O3 Dy1 O4 73.4(3) 2 2 ?
O3 Dy1 O5 121.7(3) 2 . ?
O3 Dy1 O6 79.5(3) 2 . ?
O4 Dy1 N1 80.7(3) 2 . ?
O4 Dy1 N2 142.2(3) 2 . ?
O4 Dy1 O2 138.0(3) 2 . ?
O4 Dy1 O6 117.1(3) 2 . ?
O5 Dy1 N1 69.8(5) . . ?
O5 Dy1 N2 77.7(3) . . ?
O5 Dy1 O1 133.4(3) . . ?
O5 Dy1 O2 145.7(3) . . ?
O5 Dy1 O4 75.8(3) . 2 ?
O5 Dy1 O6 72.4(3) . . ?
O6 Dy1 N1 132.1(5) . . ?
O6 Dy1 N2 79.2(3) . . ?
O6 Dy1 O2 83.2(2) . . ?
C32 N1 Dy1 122.4(9) . . ?
C32 N1 C33 118.1(11) . . ?
C33 N1 Dy1 118.1(8) . . ?
C23 N2 Dy1 122.4(8) . . ?
C23 N2 C34 118.8(11) . . ?
C34 N2 Dy1 118.4(8) . . ?
C2 O1 Dy1 135.1(8) . . ?
C4 O2 Dy1 134.8(7) . . ?
C11 O3 Dy1 137.0(7) . 2 ?
C13 O4 Dy1 131.2(8) . 2 ?
C16 O5 Dy1 130.7(8) . . ?
C18 O6 Dy1 133.9(7) . . ?
F1 C1 C2 104.8(12) . . ?
F2 C1 F1 109.6(11) . . ?
F2 C1 C2 108.4(10) . . ?
F3 C1 F1 111.1(11) . . ?
F3 C1 F2 111.3(11) . . ?
F3 C1 C2 111.3(10) . . ?
O1 C2 C1 114.9(11) . . ?
O1 C2 C3 127.6(11) . . ?
C3 C2 C1 117.4(12) . . ?
C2 C3 H3 118.3 . . ?
C4 C3 C2 123.4(12) . . ?
C4 C3 H3 118.3 . . ?
O2 C4 C3 125.2(11) . . ?
O2 C4 C5 117.8(10) . . ?
C3 C4 C5 116.8(10) . . ?
C6 C5 C4 120.0(11) . . ?
C6 C5 C10 118.2(11) . . ?
C10 C5 C4 121.8(10) . . ?
C5 C6 H6 120.3 . . ?
C7 C6 C5 119.5(13) . . ?
C7 C6 H6 120.3 . . ?
C6 C7 H7 119.6 . . ?
C8 C7 C6 120.7(12) . . ?
C8 C7 H7 119.6 . . ?
C7 C8 H8 119.6 . . ?
C7 C8 C9 120.9(12) . . ?
C9 C8 H8 119.6 . . ?
C8 C9 C11 124.2(11) . . ?
C10 C9 C8 117.2(11) . . ?
C10 C9 C11 118.5(10) . . ?
C5 C10 H10 118.6 . . ?
C9 C10 C5 122.7(10) . . ?
C9 C10 H10 118.6 . . ?
O3 C11 C9 118.4(10) . . ?
O3 C11 C12 121.3(12) . . ?
C12 C11 C9 120.3(10) . . ?
C11 C12 H12 118.7 . . ?
C13 C12 C11 122.7(12) . . ?
C13 C12 H12 118.7 . . ?
O4 C13 C12 130.0(11) . . ?
O4 C13 C14 113.0(11) . . ?
C12 C13 C14 117.0(12) . . ?
F4 C14 C13 110.2(11) . . ?
F5 C14 F4 108.8(11) . . ?
F5 C14 C13 108.9(11) . . ?
F6 C14 F4 110.1(11) . . ?
F6 C14 F5 111.9(11) . . ?
F6 C14 C13 106.9(11) . . ?
F7 C15 F8 111.5(10) . . ?
F7 C15 F9 114.0(11) . . ?
F7 C15 C16 105.0(10) . . ?
F8 C15 C16 103.9(10) . . ?
F9 C15 F8 112.5(11) . . ?
F9 C15 C16 109.2(11) . . ?
O5 C16 C15 114.9(11) . . ?
O5 C16 C17 127.8(12) . . ?
C17 C16 C15 117.4(12) . . ?
C16 C17 H17 119.0 . . ?
C16 C17 C18 122.1(12) . . ?
C18 C17 H17 119.0 . . ?
O6 C18 C17 123.2(11) . . ?
O6 C18 C19 117.4(9) . . ?
C17 C18 C19 119.4(11) . . ?
C20 C19 C18 121.3(10) . . ?
C22 C19 C18 120.5(10) . . ?
C22 C19 C20 118.2(11) . . ?
C19 C20 H20 119.2 . . ?
C21 C20 C19 121.6(12) . . ?
C21 C20 H20 119.2 . . ?
C20 C21 C20 119.4(16) 2 . ?
C20 C21 H21 120.3 2 . ?
C20 C21 H21 120.3 . . ?
C19 C22 C19 121.1(14) 2 . ?
C19 C22 H22 119.5 2 . ?
C19 C22 H22 119.5 . . ?
N2 C23 H23 117.9 . . ?
N2 C23 C24 124.1(12) . . ?
C24 C23 H23 117.9 . . ?
C23 C24 H24 120.9 . . ?
C25 C24 C23 118.2(15) . . ?
C25 C24 H24 120.9 . . ?
C24 C25 H25 119.9 . . ?
C24 C25 C26 120.2(14) . . ?
C26 C25 H25 119.9 . . ?
C25 C26 C34 117.2(13) . . ?
C27 C26 C25 123.8(15) . . ?
C27 C26 C34 119.0(16) . . ?
C26 C27 H27 119.2 . . ?
C28 C27 C26 121.5(17) . . ?
C28 C27 H27 119.2 . . ?
C27 C28 H28 118.6 . . ?
C27 C28 C29 122.9(14) . . ?
C29 C28 H28 118.6 . . ?
C30 C29 C28 125.6(14) . . ?
C30 C29 C33 118.7(16) . . ?
C33 C29 C28 115.6(15) . . ?
C29 C30 H30 119.2 . . ?
C29 C30 C31 121.6(14) . . ?
C31 C30 H30 119.2 . . ?
C30 C31 H31 120.6 . . ?
C32 C31 C30 118.8(15) . . ?
C32 C31 H31 120.6 . . ?
N1 C32 C31 121.8(16) . . ?
N1 C32 H32 119.1 . . ?
C31 C32 H32 119.1 . . ?
N1 C33 C29 120.9(13) . . ?
N1 C33 C34 117.9(10) . . ?
C34 C33 C29 121.2(14) . . ?
N2 C34 C26 121.4(13) . . ?
N2 C34 C33 119.0(12) . . ?
C33 C34 C26 119.6(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 N1 C32 C31 164.6(12) . . . . ?
Dy1 N1 C33 C29 -167.6(10) . . . . ?
Dy1 N1 C33 C34 13.3(17) . . . . ?
Dy1 N2 C23 C24 -172.0(11) . . . . ?
Dy1 N2 C34 C26 172.5(9) . . . . ?
Dy1 N2 C34 C33 -6.8(15) . . . . ?
Dy1 O1 C2 C1 176.0(8) . . . . ?
Dy1 O1 C2 C3 -3(2) . . . . ?
Dy1 O2 C4 C3 2.6(16) . . . . ?
Dy1 O2 C4 C5 -173.2(7) . . . . ?
Dy1 O3 C11 C9 164.5(8) 2 . . . ?
Dy1 O3 C11 C12 -15.7(18) 2 . . . ?
Dy1 O4 C13 C12 18(2) 2 . . . ?
Dy1 O4 C13 C14 -163.0(8) 2 . . . ?
Dy1 O5 C16 C15 153.8(8) . . . . ?
Dy1 O5 C16 C17 -26.7(19) . . . . ?
Dy1 O6 C18 C17 2.8(16) . . . . ?
Dy1 O6 C18 C19 -177.9(6) . . . . ?
F1 C1 C2 O1 1.8(15) . . . . ?
F1 C1 C2 C3 -179.2(13) . . . . ?
F2 C1 C2 O1 118.8(13) . . . . ?
F2 C1 C2 C3 -62.2(15) . . . . ?
F3 C1 C2 O1 -118.4(13) . . . . ?
F3 C1 C2 C3 60.6(16) . . . . ?
F7 C15 C16 O5 -55.4(14) . . . . ?
F7 C15 C16 C17 125.0(13) . . . . ?
F8 C15 C16 O5 61.7(13) . . . . ?
F8 C15 C16 C17 -117.8(13) . . . . ?
F9 C15 C16 O5 -178.1(11) . . . . ?
F9 C15 C16 C17 2.4(16) . . . . ?
N1 C33 C34 N2 -4.3(18) . . . . ?
N1 C33 C34 C26 176.4(13) . . . . ?
N2 C23 C24 C25 0(2) . . . . ?
O1 C2 C3 C4 -1(2) . . . . ?
O2 C4 C5 C6 -144.6(13) . . . . ?
O2 C4 C5 C10 37.7(15) . . . . ?
O3 C11 C12 C13 -1(2) . . . . ?
O4 C13 C14 F4 -154.5(13) . . . . ?
O4 C13 C14 F5 -35.2(16) . . . . ?
O4 C13 C14 F6 85.8(16) . . . . ?
O5 C16 C17 C18 -8(2) . . . . ?
O6 C18 C19 C20 -173.4(10) . . . . ?
O6 C18 C19 C22 4.7(13) . . . . ?
C1 C2 C3 C4 -179.8(11) . . . . ?
C2 C3 C4 O2 1.0(19) . . . . ?
C2 C3 C4 C5 176.8(11) . . . . ?
C3 C4 C5 C6 39.3(17) . . . . ?
C3 C4 C5 C10 -138.4(11) . . . . ?
C4 C5 C6 C7 179.0(14) . . . . ?
C4 C5 C10 C9 177.3(11) . . . . ?
C5 C6 C7 C8 9(3) . . . . ?
C6 C5 C10 C9 -0.4(18) . . . . ?
C6 C7 C8 C9 -11(3) . . . . ?
C7 C8 C9 C10 7(2) . . . . ?
C7 C8 C9 C11 -175.5(15) . . . . ?
C8 C9 C10 C5 -1.6(17) . . . . ?
C8 C9 C11 O3 -169.8(12) . . . . ?
C8 C9 C11 C12 10.4(19) . . . . ?
C9 C11 C12 C13 179.0(13) . . . . ?
C10 C5 C6 C7 -3(2) . . . . ?
C10 C9 C11 O3 7.2(17) . . . . ?
C10 C9 C11 C12 -172.6(11) . . . . ?
C11 C9 C10 C5 -178.8(11) . . . . ?
C11 C12 C13 O4 -1(2) . . . . ?
C11 C12 C13 C14 179.8(12) . . . . ?
C12 C13 C14 F4 24.6(18) . . . . ?
C12 C13 C14 F5 143.9(14) . . . . ?
C12 C13 C14 F6 -95.1(16) . . . . ?
C15 C16 C17 C18 171.8(11) . . . . ?
C16 C17 C18 O6 19.4(19) . . . . ?
C16 C17 C18 C19 -159.9(12) . . . . ?
C17 C18 C19 C20 5.9(15) . . . . ?
C17 C18 C19 C22 -176.0(9) . . . . ?
C18 C19 C20 C21 178.7(8) . . . . ?
C18 C19 C22 C19 -178.4(10) . . . 2 ?
C19 C20 C21 C20 -0.3(7) . . . 2 ?
C20 C19 C22 C19 -0.3(7) . . . 2 ?
C22 C19 C20 C21 0.6(14) . . . . ?
C23 N2 C34 C26 -0.7(18) . . . . ?
C23 N2 C34 C33 -179.9(12) . . . . ?
C23 C24 C25 C26 0(2) . . . . ?
C24 C25 C26 C27 -178.5(16) . . . . ?
C24 C25 C26 C34 0(2) . . . . ?
C25 C26 C27 C28 -176.8(16) . . . . ?
C25 C26 C34 N2 0.2(19) . . . . ?
C25 C26 C34 C33 179.5(12) . . . . ?
C26 C27 C28 C29 -3(3) . . . . ?
C27 C26 C34 N2 178.9(13) . . . . ?
C27 C26 C34 C33 -1.8(19) . . . . ?
C27 C28 C29 C30 -177.7(17) . . . . ?
C27 C28 C29 C33 -1(2) . . . . ?
C28 C29 C30 C31 176.2(15) . . . . ?
C28 C29 C33 N1 -174.9(14) . . . . ?
C28 C29 C33 C34 4(2) . . . . ?
C29 C30 C31 C32 -2(2) . . . . ?
C29 C33 C34 N2 176.7(12) . . . . ?
C29 C33 C34 C26 -2.6(19) . . . . ?
C30 C29 C33 N1 2(2) . . . . ?
C30 C29 C33 C34 -179.2(13) . . . . ?
C30 C31 C32 N1 3(2) . . . . ?
C32 N1 C33 C29 -1(2) . . . . ?
C32 N1 C33 C34 179.9(13) . . . . ?
C33 N1 C32 C31 -1(2) . . . . ?
C33 C29 C30 C31 0(2) . . . . ?
C34 N2 C23 C24 1(2) . . . . ?
C34 C26 C27 C28 5(2) . . . . ?

_platon_squeeze_details          
;

;
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.500 0.193 238 17 'H2O '
2 0.000 0.500 0.693 238 17 'H2O '
3 0.500 0.000 0.693 238 17 'H2O '
4 0.500 1.000 0.193 238 17 'H2O '

_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
;
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.986(8)
2 0.014(8)

####################################################################### 
# 
# 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_exp_11817
_database_code_depnum_ccdc_archive 'CCDC 2203525'
loop_
_audit_author_name
_audit_author_address
'sheng zhang'
;Hainan University
China
;
_audit_update_record             
;
2022-12-07 deposited with the CCDC.	2023-01-02 downloaded from the CCDC.
;
_audit_creation_date             2022-11-22
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C66 H42 Dy2 F18 N4 O12'
_chemical_formula_sum            'C66 H42 Dy2 F18 N4 O12'
_chemical_formula_weight         1750.03
_chemical_melting_point          ?
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'
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'
N N 0.0311 0.0180 '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                   19.5484(6)
_cell_length_b                   21.4427(6)
_cell_length_c                   18.8657(7)
_cell_angle_alpha                90
_cell_angle_beta                 118.708(4)
_cell_angle_gamma                90
_cell_volume                     6935.9(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7918
_cell_measurement_temperature    293.0(2)
_cell_measurement_theta_max      70.6350
_cell_measurement_theta_min      3.3080
_shelx_estimated_absorpt_T_max   0.438
_shelx_estimated_absorpt_T_min   0.402
_exptl_absorpt_coefficient_mu    12.380
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.11073
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.676
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3424
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0397
_diffrn_reflns_av_unetI/netI     0.0495
_diffrn_reflns_Laue_measured_fraction_full 0.940
_diffrn_reflns_Laue_measured_fraction_max 0.940
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            24322
_diffrn_reflns_point_group_measured_fraction_full 0.940
_diffrn_reflns_point_group_measured_fraction_max 0.940
_diffrn_reflns_theta_full        64.998
_diffrn_reflns_theta_max         64.998
_diffrn_reflns_theta_min         3.300
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.1281
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.940
_diffrn_measured_fraction_theta_max 0.940
_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  36.00   1.00    2.03    --    0.00 -99.00  60.00   35
  2  ω    -70.00  -8.00   1.00    2.03    --    0.00 -77.00-180.00   62
  3  ω    -59.00 -34.00   1.00    2.03    --    0.00 178.00 -60.00   25
  4  ω     34.00 107.00   1.00   42.50    --   54.63-128.00 158.00   73
  5  ω     15.00  59.00   1.00   42.50    --   54.63 -57.00-180.00   44
  6  ω     91.00 118.00   1.00   42.50    --   54.63  57.00-150.00   27
  7  ω     41.00 112.00   1.00   42.50    --   54.63  57.00-180.00   71
  8  ω     48.00 120.00   1.00   42.50    --   54.63  57.00  90.00   72
  9  ω     39.00 105.00   1.00   42.50    --  109.26-111.00 -90.00   66
 10  ω    100.00 161.00   1.00   42.50    --  109.26  63.00 150.00   61
 11  ω     50.00 123.00   1.00   42.50    --  109.26 -63.00-120.00   73
 12  ω    133.00 174.00   1.00   42.50    --  109.26 111.00 150.00   41
 13  ω     37.00 133.00   1.00   42.50    --  109.26 -37.00-150.00   96
 14  ω     60.00  85.00   1.00   42.50    --  109.26-111.00   0.00   25
 15  ω     49.00 177.00   1.00   42.50    --  109.26   0.00 -60.00  128
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0864956000
_diffrn_orient_matrix_UB_12      0.0195856000
_diffrn_orient_matrix_UB_13      0.0418704000
_diffrn_orient_matrix_UB_21      0.0239175000
_diffrn_orient_matrix_UB_22      -0.0667342000
_diffrn_orient_matrix_UB_23      0.0332042000
_diffrn_orient_matrix_UB_31      0.0051217000
_diffrn_orient_matrix_UB_32      -0.0182984000
_diffrn_orient_matrix_UB_33      -0.0761581000
_diffrn_radiation_collimation    ?
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_target            ?
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8228
_reflns_number_total             11085
_reflns_odcompleteness_completeness 93.54
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_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    'SIR2004 (Burla et al.,  2007)'
_refine_diff_density_max         1.105
_refine_diff_density_min         -0.585
_refine_diff_density_rms         0.081
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     923
_refine_ls_number_reflns         11085
_refine_ls_number_restraints     108
_refine_ls_R_factor_all          0.0746
_refine_ls_R_factor_gt           0.0532
_refine_ls_restrained_S_all      1.057
_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)+(0.0899P)²+2.7876P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1374
_refine_ls_wR_factor_ref         0.1544
_refine_special_details          ?
_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. Uiso/Uaniso restraints and constraints
F1 \\sim F2 \\sim F3 \\sim F4 \\sim F5 \\sim F6 \\sim F7 \\sim F8 \\sim F9
\\sim F10 \\sim F11 \\sim F12 \\sim F13 \\sim F14 \\sim F15 \\sim F16 \\sim F17
\\sim F18: within 3.8A with sigma of 0.02 and sigma for terminal atoms of 0.04
3.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C6(H6), C8(H8), C9(H9), C10(H10), C12(H12), C17(H17), C20(H20),
 C21(H21), C22(H22), C24(H24), C26(H26), C31(H31), C34(H34), C35(H35), C36(H36),
  C38(H38), C40(H40), C43(H43), C45(H45), C46(H46), C49(H49), C50(H50),
 C52(H52), C55(H55), C57(H57), C58(H58), C61(H61), C62(H62), C64(H64)
3.b Idealised Me refined as rotating group:
 C53(H53A,H53B,H53C), C54(H54A,H54B,H54C), C65(H65A,H65B,H65C), C66(H66A,H66B,
 H66C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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 0.39029(2) 0.66615(2) 0.33248(2) 0.06281(14) Uani 1 1 d . . . . .
Dy2 Dy -0.02249(2) 0.64180(2) 0.32248(2) 0.06529(14) Uani 1 1 d . . . . .
F1 F 0.5478(5) 0.8577(5) 0.4475(6) 0.202(4) Uani 1 1 d . U . . .
F2 F 0.5436(6) 0.8237(5) 0.5421(5) 0.247(6) Uani 1 1 d . U . . .
F3 F 0.4844(4) 0.8989(5) 0.4924(8) 0.243(6) Uani 1 1 d . U . . .
F4 F -0.1961(4) 0.8653(4) 0.2162(5) 0.160(3) Uani 1 1 d . U . . .
F5 F -0.2471(5) 0.7825(5) 0.1618(10) 0.301(8) Uani 1 1 d . U . . .
F6 F -0.2156(7) 0.8000(6) 0.2800(10) 0.268(6) Uani 1 1 d . U . . .
F7 F 0.6487(3) 0.6206(5) 0.5478(6) 0.207(4) Uani 1 1 d . U . . .
F8 F 0.6298(4) 0.5873(6) 0.6294(5) 0.227(5) Uani 1 1 d . U . . .
F9 F 0.6108(4) 0.5329(4) 0.5350(9) 0.315(8) Uani 1 1 d . U . . .
F10 F 0.0463(5) 0.7826(4) 0.6072(5) 0.178(3) Uani 1 1 d . U . . .
F11 F -0.0355(5) 0.8079(3) 0.4949(5) 0.171(3) Uani 1 1 d . U . . .
F12 F -0.0561(6) 0.7351(3) 0.5526(7) 0.206(4) Uani 1 1 d . U . . .
F13 F 0.5242(5) 0.4982(4) 0.2623(7) 0.208(4) Uani 1 1 d . U . . .
F14 F 0.4746(7) 0.5478(5) 0.1616(7) 0.216(4) Uani 1 1 d . U . . .
F15 F 0.4328(6) 0.4599(5) 0.1715(9) 0.281(6) Uani 1 1 d . U . . .
F16 F -0.2570(4) 0.5443(7) 0.0965(6) 0.247(6) Uani 1 1 d . U . . .
F17 F -0.2525(6) 0.6244(7) 0.0558(8) 0.267(7) Uani 1 1 d . U . . .
F18 F -0.2255(4) 0.5560(9) 0.0098(6) 0.290(7) Uani 1 1 d . U . . .
N1 N 0.4780(3) 0.7174(3) 0.2847(4) 0.0814(17) Uani 1 1 d . . . . .
N2 N 0.3286(3) 0.6899(2) 0.1820(3) 0.0621(12) Uani 1 1 d . . . . .
N3 N 0.0149(3) 0.5319(3) 0.3770(3) 0.0684(13) Uani 1 1 d . . . . .
N4 N -0.1184(3) 0.5836(3) 0.3517(4) 0.0753(15) Uani 1 1 d . . . . .
O1 O 0.4528(3) 0.7515(3) 0.4161(3) 0.0866(15) Uani 1 1 d . . . . .
O2 O 0.2928(2) 0.7428(2) 0.3075(2) 0.0627(10) Uani 1 1 d . . . . .
O3 O 0.0324(2) 0.7261(2) 0.2935(3) 0.0743(12) Uani 1 1 d . . . . .
O4 O -0.1170(3) 0.7171(3) 0.2692(4) 0.1030(19) Uani 1 1 d . . . . .
O5 O 0.4995(3) 0.6233(3) 0.4371(3) 0.0855(15) Uani 1 1 d . . . . .
O6 O 0.3591(2) 0.6452(2) 0.4334(3) 0.0739(13) Uani 1 1 d . . . . .
O7 O 0.1055(2) 0.6458(2) 0.4304(3) 0.0635(10) Uani 1 1 d . . . . .
O8 O -0.0247(3) 0.6937(3) 0.4306(4) 0.0863(14) Uani 1 1 d . . . . .
O9 O 0.4361(3) 0.5889(3) 0.2778(3) 0.0783(13) Uani 1 1 d . . . . .
O10 O 0.2937(2) 0.5910(2) 0.2765(3) 0.0639(10) Uani 1 1 d . . . . .
O11 O 0.0304(3) 0.5957(2) 0.2473(3) 0.0738(12) Uani 1 1 d . . . . .
O12 O -0.1248(3) 0.6049(4) 0.2039(4) 0.109(2) Uani 1 1 d . . . . .
C1 C 0.5014(6) 0.8479(6) 0.4735(7) 0.108(3) Uani 1 1 d . . . . .
C2 C 0.4336(4) 0.8056(5) 0.4203(4) 0.079(2) Uani 1 1 d . . . . .
C3 C 0.3590(4) 0.8320(4) 0.3819(4) 0.0710(18) Uani 1 1 d . . . . .
H3 H 0.353500 0.873870 0.390813 0.085 Uiso 1 1 calc R . . . .
C4 C 0.2926(3) 0.7980(3) 0.3306(3) 0.0583(15) Uani 1 1 d . . . . .
C5 C 0.2148(4) 0.8285(3) 0.3046(3) 0.0567(14) Uani 1 1 d . . . . .
C6 C 0.1514(3) 0.7937(3) 0.2939(3) 0.0558(14) Uani 1 1 d . . . . .
H6 H 0.155295 0.750428 0.296578 0.067 Uiso 1 1 calc R . . . .
C7 C 0.0812(4) 0.8218(3) 0.2792(4) 0.0605(15) Uani 1 1 d . . . . .
C8 C 0.0761(4) 0.8864(4) 0.2738(4) 0.0767(19) Uani 1 1 d . . . . .
H8 H 0.030035 0.906209 0.264066 0.092 Uiso 1 1 calc R . . . .
C9 C 0.1389(5) 0.9212(3) 0.2829(4) 0.081(2) Uani 1 1 d . . . . .
H9 H 0.134696 0.964445 0.279085 0.097 Uiso 1 1 calc R . . . .
C10 C 0.2072(4) 0.8935(3) 0.2975(4) 0.0721(18) Uani 1 1 d . . . . .
H10 H 0.248773 0.917809 0.302796 0.087 Uiso 1 1 calc R . . . .
C11 C 0.0167(4) 0.7816(3) 0.2751(4) 0.0662(16) Uani 1 1 d . . . . .
C12 C -0.0569(4) 0.8069(4) 0.2534(5) 0.090(2) Uani 1 1 d . . . . .
H12 H -0.065540 0.848897 0.239719 0.108 Uiso 1 1 calc R . . . .
C13 C -0.1167(4) 0.7722(5) 0.2516(5) 0.092(2) Uani 1 1 d . . . . .
C14 C -0.1954(7) 0.8032(7) 0.2231(10) 0.144(5) Uani 1 1 d . . . . .
C15 C 0.5982(6) 0.5815(7) 0.5526(7) 0.122(4) Uani 1 1 d . . . . .
C16 C 0.5159(4) 0.6059(4) 0.5066(5) 0.0747(19) Uani 1 1 d . . . . .
C17 C 0.4704(4) 0.6059(4) 0.5430(4) 0.082(2) Uani 1 1 d . . . . .
H17 H 0.491387 0.590622 0.595432 0.098 Uiso 1 1 calc R . . . .
C18 C 0.3935(4) 0.6277(3) 0.5053(4) 0.0619(15) Uani 1 1 d . . . . .
C19 C 0.3481(3) 0.6311(3) 0.5504(3) 0.0569(14) Uani 1 1 d . . . . .
C20 C 0.3839(4) 0.6270(3) 0.6349(4) 0.0691(17) Uani 1 1 d . . . . .
H20 H 0.436514 0.616733 0.663947 0.083 Uiso 1 1 calc R . . . .
C21 C 0.3431(5) 0.6378(4) 0.6747(4) 0.0774(19) Uani 1 1 d . . . . .
H21 H 0.368077 0.635240 0.730845 0.093 Uiso 1 1 calc R . . . .
C22 C 0.2643(4) 0.6525(3) 0.6328(4) 0.0676(17) Uani 1 1 d . . . . .
H22 H 0.236911 0.660665 0.660671 0.081 Uiso 1 1 calc R . . . .
C23 C 0.2262(4) 0.6550(3) 0.5478(4) 0.0569(14) Uani 1 1 d . . . . .
C24 C 0.2690(4) 0.6441(3) 0.5085(3) 0.0568(14) Uani 1 1 d . . . . .
H24 H 0.244124 0.645549 0.452317 0.068 Uiso 1 1 calc R . . . .
C25 C 0.1416(4) 0.6674(3) 0.5007(4) 0.0604(15) Uani 1 1 d . . . . .
C26 C 0.1049(4) 0.7043(3) 0.5360(4) 0.0713(17) Uani 1 1 d . . . . .
H26 H 0.135200 0.720943 0.587307 0.086 Uiso 1 1 calc R . . . .
C27 C 0.0264(5) 0.7158(3) 0.4965(5) 0.0747(19) Uani 1 1 d . . . . .
C28 C -0.0058(6) 0.7594(4) 0.5369(7) 0.092(2) Uani 1 1 d . . . . .
C29 C 0.4563(7) 0.5118(6) 0.2054(10) 0.134(4) Uani 1 1 d . . . . .
C30 C 0.4043(4) 0.5435(4) 0.2331(5) 0.080(2) Uani 1 1 d . . . . .
C31 C 0.3306(5) 0.5203(4) 0.2068(5) 0.086(2) Uani 1 1 d . . . . .
H31 H 0.315071 0.485976 0.172568 0.103 Uiso 1 1 calc R . . . .
C32 C 0.2776(4) 0.5455(3) 0.2288(4) 0.0678(16) Uani 1 1 d . . . . .
C33 C 0.1967(4) 0.5205(3) 0.1915(4) 0.0740(18) Uani 1 1 d . . . . .
C34 C 0.1745(6) 0.4679(4) 0.1424(6) 0.111(3) Uani 1 1 d . . . . .
H34 H 0.211273 0.445716 0.134767 0.134 Uiso 1 1 calc R . . . .
C35 C 0.0980(7) 0.4487(5) 0.1053(8) 0.141(5) Uani 1 1 d . . . . .
H35 H 0.082684 0.414429 0.070778 0.170 Uiso 1 1 calc R . . . .
C36 C 0.0439(6) 0.4799(5) 0.1190(7) 0.119(3) Uani 1 1 d . . . . .
H36 H -0.007274 0.465612 0.095206 0.143 Uiso 1 1 calc R . . . .
C37 C 0.0645(4) 0.5317(3) 0.1673(4) 0.0756(19) Uani 1 1 d . . . . .
C38 C 0.1416(4) 0.5510(3) 0.2050(4) 0.0655(16) Uani 1 1 d . . . . .
H38 H 0.156518 0.584936 0.239960 0.079 Uiso 1 1 calc R . . . .
C39 C 0.0060(4) 0.5654(4) 0.1823(4) 0.0727(18) Uani 1 1 d . . . . .
C40 C -0.0738(5) 0.5614(5) 0.1255(5) 0.094(2) Uani 1 1 d . . . . .
H40 H -0.087816 0.543936 0.075247 0.113 Uiso 1 1 calc R . . . .
C41 C -0.1314(5) 0.5820(4) 0.1407(5) 0.094(3) Uani 1 1 d . . . . .
C42 C -0.2154(7) 0.5752(10) 0.0761(8) 0.150(6) Uani 1 1 d . . . . .
C43 C 0.5507(5) 0.7365(5) 0.3380(6) 0.113(3) Uani 1 1 d . . . . .
H43 H 0.567343 0.731093 0.392739 0.136 Uiso 1 1 calc R . . . .
C44 C 0.6014(6) 0.7634(6) 0.3164(9) 0.131(4) Uani 1 1 d . . . . .
C45 C 0.5773(7) 0.7681(5) 0.2352(10) 0.135(4) Uani 1 1 d . . . . .
H45 H 0.610505 0.784874 0.217707 0.162 Uiso 1 1 calc R . . . .
C46 C 0.5053(6) 0.7483(4) 0.1806(7) 0.106(3) Uani 1 1 d . . . . .
H46 H 0.489132 0.751581 0.125612 0.128 Uiso 1 1 calc R . . . .
C47 C 0.4554(4) 0.7232(3) 0.2062(5) 0.0761(19) Uani 1 1 d . . . . .
C48 C 0.3759(4) 0.7026(3) 0.1504(4) 0.0676(17) Uani 1 1 d . . . . .
C49 C 0.3483(6) 0.6962(5) 0.0680(5) 0.106(3) Uani 1 1 d . . . . .
H49 H 0.379803 0.706623 0.045339 0.128 Uiso 1 1 calc R . . . .
C50 C 0.2734(7) 0.6741(6) 0.0199(5) 0.117(4) Uani 1 1 d . . . . .
H50 H 0.256038 0.667689 -0.034919 0.141 Uiso 1 1 calc R . . . .
C51 C 0.2248(5) 0.6616(4) 0.0505(4) 0.083(2) Uani 1 1 d . . . . .
C52 C 0.2560(4) 0.6714(3) 0.1331(4) 0.0634(15) Uani 1 1 d . . . . .
H52 H 0.223712 0.664527 0.155760 0.076 Uiso 1 1 calc R . . . .
C53 C 0.6810(7) 0.7853(9) 0.3807(11) 0.220(9) Uani 1 1 d . . . . .
H53A H 0.703656 0.811828 0.356552 0.330 Uiso 1 1 calc GR . . . .
H53B H 0.714182 0.749779 0.404682 0.330 Uiso 1 1 calc GR . . . .
H53C H 0.675640 0.807978 0.421586 0.330 Uiso 1 1 calc GR . . . .
C54 C 0.1444(6) 0.6356(5) 0.0016(5) 0.113(3) Uani 1 1 d . . . . .
H54A H 0.111222 0.666588 -0.035883 0.169 Uiso 1 1 calc GR . . . .
H54B H 0.123960 0.623905 0.036921 0.169 Uiso 1 1 calc GR . . . .
H54C H 0.146334 0.599571 -0.027617 0.169 Uiso 1 1 calc GR . . . .
C55 C -0.1866(4) 0.6085(4) 0.3313(6) 0.100(3) Uani 1 1 d . . . . .
H55 H -0.194194 0.649820 0.314236 0.120 Uiso 1 1 calc R . . . .
C56 C -0.2487(5) 0.5778(5) 0.3332(7) 0.117(3) Uani 1 1 d . . . . .
C57 C -0.2358(5) 0.5168(5) 0.3573(7) 0.115(3) Uani 1 1 d . . . . .
H57 H -0.275065 0.493697 0.359238 0.138 Uiso 1 1 calc R . . . .
C58 C -0.1659(5) 0.4901(4) 0.3783(5) 0.089(2) Uani 1 1 d . . . . .
H58 H -0.157518 0.448744 0.395361 0.106 Uiso 1 1 calc R . . . .
C59 C -0.1068(4) 0.5230(3) 0.3747(4) 0.0710(17) Uani 1 1 d . . . . .
C60 C -0.0306(4) 0.4964(3) 0.3949(4) 0.0695(17) Uani 1 1 d . . . . .
C61 C -0.0069(5) 0.4371(4) 0.4275(5) 0.086(2) Uani 1 1 d . . . . .
H61 H -0.039678 0.412259 0.438430 0.103 Uiso 1 1 calc R . . . .
C62 C 0.0644(6) 0.4159(4) 0.4433(5) 0.099(3) Uani 1 1 d . . . . .
H62 H 0.080914 0.376673 0.466345 0.118 Uiso 1 1 calc R . . . .
C63 C 0.1123(5) 0.4515(4) 0.4257(5) 0.087(2) Uani 1 1 d . . . . .
C64 C 0.0847(4) 0.5098(4) 0.3925(5) 0.082(2) Uani 1 1 d . . . . .
H64 H 0.116485 0.534865 0.380430 0.098 Uiso 1 1 calc R . . . .
C65 C -0.3240(6) 0.6123(7) 0.3095(12) 0.202(8) Uani 1 1 d . . . . .
H65A H -0.358220 0.607418 0.252627 0.303 Uiso 1 1 calc GR . . . .
H65B H -0.313064 0.655829 0.321934 0.303 Uiso 1 1 calc GR . . . .
H65C H -0.348474 0.595743 0.339028 0.303 Uiso 1 1 calc GR . . . .
C66 C 0.1930(6) 0.4305(5) 0.4416(7) 0.127(4) Uani 1 1 d . . . . .
H66A H 0.225849 0.424263 0.498550 0.190 Uiso 1 1 calc GR . . . .
H66B H 0.215433 0.461847 0.422722 0.190 Uiso 1 1 calc GR . . . .
H66C H 0.188544 0.392067 0.413526 0.190 Uiso 1 1 calc GR . . . .


_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 N1 2.538(6) . ?
Dy1 N2 2.547(5) . ?
Dy1 O1 2.340(5) . ?
Dy1 O2 2.385(4) . ?
Dy1 O5 2.290(5) . ?
Dy1 O6 2.305(4) . ?
Dy1 O9 2.345(5) . ?
Dy1 O10 2.315(4) . ?
Dy2 N3 2.534(5) . ?
Dy2 N4 2.523(6) . ?
Dy2 O3 2.298(5) . ?
Dy2 O4 2.291(5) . ?
Dy2 O7 2.349(4) . ?
Dy2 O8 2.342(6) . ?
Dy2 O11 2.338(5) . ?
Dy2 O12 2.309(6) . ?
F1 C1 1.240(11) . ?
F2 C1 1.264(14) . ?
F3 C1 1.243(13) . ?
F4 C14 1.337(15) . ?
F5 C14 1.198(18) . ?
F6 C14 1.312(17) . ?
F7 C15 1.329(15) . ?
F8 C15 1.279(13) . ?
F9 C15 1.157(14) . ?
F10 C28 1.321(11) . ?
F11 C28 1.266(10) . ?
F12 C28 1.266(10) . ?
F13 C29 1.276(15) . ?
F14 C29 1.300(16) . ?
F15 C29 1.256(13) . ?
F16 C42 1.245(16) . ?
F17 C42 1.23(2) . ?
F18 C42 1.239(16) . ?
N1 C43 1.352(10) . ?
N1 C47 1.332(9) . ?
N2 C48 1.347(8) . ?
N2 C52 1.327(8) . ?
N3 C60 1.332(9) . ?
N3 C64 1.337(8) . ?
N4 C55 1.310(10) . ?
N4 C59 1.356(9) . ?
O1 C2 1.235(10) . ?
O2 C4 1.264(8) . ?
O3 C11 1.237(8) . ?
O4 C13 1.229(10) . ?
O5 C16 1.249(9) . ?
O6 C18 1.248(7) . ?
O7 C25 1.253(7) . ?
O8 C27 1.255(9) . ?
O9 C30 1.241(9) . ?
O10 C32 1.262(7) . ?
O11 C39 1.262(8) . ?
O12 C41 1.237(11) . ?
C1 C2 1.519(11) . ?
C2 C3 1.399(11) . ?
C3 C4 1.394(9) . ?
C4 C5 1.503(9) . ?
C5 C6 1.377(8) . ?
C5 C10 1.402(9) . ?
C6 C7 1.398(9) . ?
C7 C8 1.390(10) . ?
C7 C11 1.499(9) . ?
C8 C9 1.375(11) . ?
C9 C10 1.363(11) . ?
C11 C12 1.401(9) . ?
C12 C13 1.371(11) . ?
C13 C14 1.518(11) . ?
C15 C16 1.507(11) . ?
C16 C17 1.361(10) . ?
C17 C18 1.400(9) . ?
C18 C19 1.497(8) . ?
C19 C20 1.403(8) . ?
C19 C24 1.385(9) . ?
C20 C21 1.354(10) . ?
C21 C22 1.388(11) . ?
C22 C23 1.407(9) . ?
C23 C24 1.380(9) . ?
C23 C25 1.477(9) . ?
C25 C26 1.430(9) . ?
C26 C27 1.368(10) . ?
C27 C28 1.521(10) . ?
C29 C30 1.511(11) . ?
C30 C31 1.372(11) . ?
C31 C32 1.394(10) . ?
C32 C33 1.489(10) . ?
C33 C34 1.391(10) . ?
C33 C38 1.384(10) . ?
C34 C35 1.375(14) . ?
C35 C36 1.377(14) . ?
C36 C37 1.369(11) . ?
C37 C38 1.385(9) . ?
C37 C39 1.490(10) . ?
C39 C40 1.408(10) . ?
C40 C41 1.362(12) . ?
C41 C42 1.511(13) . ?
C43 C44 1.366(14) . ?
C44 C45 1.373(17) . ?
C44 C53 1.517(15) . ?
C45 C46 1.352(15) . ?
C46 C47 1.390(10) . ?
C47 C48 1.464(10) . ?
C48 C49 1.386(11) . ?
C49 C50 1.384(14) . ?
C50 C51 1.355(14) . ?
C51 C52 1.389(9) . ?
C51 C54 1.498(13) . ?
C55 C56 1.397(12) . ?
C56 C57 1.367(14) . ?
C56 C65 1.511(13) . ?
C57 C58 1.353(12) . ?
C58 C59 1.382(10) . ?
C59 C60 1.464(10) . ?
C60 C61 1.391(10) . ?
C61 C62 1.357(12) . ?
C62 C63 1.366(13) . ?
C63 C64 1.385(11) . ?
C63 C66 1.527(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
N1 Dy1 N2 63.68(19) . . ?
O1 Dy1 N1 71.20(19) . . ?
O1 Dy1 N2 114.18(19) . . ?
O1 Dy1 O2 72.79(17) . . ?
O1 Dy1 O9 131.49(18) . . ?
O2 Dy1 N1 104.13(19) . . ?
O2 Dy1 N2 74.73(15) . . ?
O5 Dy1 N1 88.3(2) . . ?
O5 Dy1 N2 141.89(17) . . ?
O5 Dy1 O1 76.3(2) . . ?
O5 Dy1 O2 140.51(16) . . ?
O5 Dy1 O6 73.56(16) . . ?
O5 Dy1 O9 72.60(18) . . ?
O5 Dy1 O10 109.43(18) . . ?
O6 Dy1 N1 150.40(18) . . ?
O6 Dy1 N2 142.03(15) . . ?
O6 Dy1 O1 81.71(18) . . ?
O6 Dy1 O2 78.13(15) . . ?
O6 Dy1 O9 122.26(18) . . ?
O6 Dy1 O10 76.08(16) . . ?
O9 Dy1 N1 71.6(2) . . ?
O9 Dy1 N2 74.16(17) . . ?
O9 Dy1 O2 146.87(15) . . ?
O10 Dy1 N1 132.94(17) . . ?
O10 Dy1 N2 77.57(16) . . ?
O10 Dy1 O1 154.01(16) . . ?
O10 Dy1 O2 89.41(15) . . ?
O10 Dy1 O9 73.02(16) . . ?
N4 Dy2 N3 63.35(18) . . ?
O3 Dy2 N3 138.71(16) . . ?
O3 Dy2 N4 157.16(18) . . ?
O3 Dy2 O7 75.73(15) . . ?
O3 Dy2 O8 92.31(19) . . ?
O3 Dy2 O11 78.19(17) . . ?
O3 Dy2 O12 108.9(2) . . ?
O4 Dy2 N3 147.98(18) . . ?
O4 Dy2 N4 85.22(19) . . ?
O4 Dy2 O3 73.25(17) . . ?
O4 Dy2 O7 130.8(2) . . ?
O4 Dy2 O8 72.5(2) . . ?
O4 Dy2 O11 122.1(2) . . ?
O4 Dy2 O12 71.1(3) . . ?
O7 Dy2 N3 72.71(16) . . ?
O7 Dy2 N4 114.95(17) . . ?
O8 Dy2 N3 102.15(19) . . ?
O8 Dy2 N4 73.6(2) . . ?
O8 Dy2 O7 71.63(16) . . ?
O11 Dy2 N3 74.17(17) . . ?
O11 Dy2 N4 120.98(19) . . ?
O11 Dy2 O7 86.81(15) . . ?
O11 Dy2 O8 158.08(17) . . ?
O12 Dy2 N3 91.2(2) . . ?
O12 Dy2 N4 69.8(2) . . ?
O12 Dy2 O7 156.7(2) . . ?
O12 Dy2 O8 129.6(2) . . ?
O12 Dy2 O11 72.33(19) . . ?
C43 N1 Dy1 121.1(6) . . ?
C47 N1 Dy1 121.0(5) . . ?
C47 N1 C43 117.8(7) . . ?
C48 N2 Dy1 118.3(4) . . ?
C52 N2 Dy1 119.4(4) . . ?
C52 N2 C48 119.0(6) . . ?
C60 N3 Dy2 122.5(4) . . ?
C60 N3 C64 118.5(6) . . ?
C64 N3 Dy2 119.0(5) . . ?
C55 N4 Dy2 119.5(5) . . ?
C55 N4 C59 118.2(7) . . ?
C59 N4 Dy2 121.2(4) . . ?
C2 O1 Dy1 134.6(5) . . ?
C4 O2 Dy1 135.4(4) . . ?
C11 O3 Dy2 137.9(4) . . ?
C13 O4 Dy2 133.5(5) . . ?
C16 O5 Dy1 133.5(4) . . ?
C18 O6 Dy1 137.6(4) . . ?
C25 O7 Dy2 139.0(4) . . ?
C27 O8 Dy2 134.7(4) . . ?
C30 O9 Dy1 132.9(4) . . ?
C32 O10 Dy1 137.1(4) . . ?
C39 O11 Dy2 137.4(4) . . ?
C41 O12 Dy2 135.3(6) . . ?
F1 C1 F2 103.5(11) . . ?
F1 C1 F3 108.1(12) . . ?
F1 C1 C2 114.3(8) . . ?
F2 C1 C2 111.4(10) . . ?
F3 C1 F2 101.6(10) . . ?
F3 C1 C2 116.5(9) . . ?
O1 C2 C1 114.1(8) . . ?
O1 C2 C3 128.4(7) . . ?
C3 C2 C1 117.5(9) . . ?
C4 C3 C2 122.7(7) . . ?
O2 C4 C3 124.9(6) . . ?
O2 C4 C5 117.7(5) . . ?
C3 C4 C5 117.3(6) . . ?
C6 C5 C4 120.7(6) . . ?
C6 C5 C10 118.5(6) . . ?
C10 C5 C4 120.5(6) . . ?
C5 C6 C7 121.6(6) . . ?
C6 C7 C11 118.9(6) . . ?
C8 C7 C6 118.3(6) . . ?
C8 C7 C11 122.7(6) . . ?
C9 C8 C7 120.2(7) . . ?
C10 C9 C8 121.2(7) . . ?
C9 C10 C5 120.2(7) . . ?
O3 C11 C7 116.7(6) . . ?
O3 C11 C12 122.4(7) . . ?
C12 C11 C7 120.9(6) . . ?
C13 C12 C11 122.7(7) . . ?
O4 C13 C12 129.1(7) . . ?
O4 C13 C14 112.4(8) . . ?
C12 C13 C14 118.5(9) . . ?
F4 C14 C13 115.6(10) . . ?
F5 C14 F4 108.1(11) . . ?
F5 C14 F6 108.9(13) . . ?
F5 C14 C13 114.9(14) . . ?
F6 C14 F4 98.0(14) . . ?
F6 C14 C13 109.9(11) . . ?
F7 C15 C16 111.4(10) . . ?
F8 C15 F7 92.6(11) . . ?
F8 C15 C16 114.8(9) . . ?
F9 C15 F7 106.4(12) . . ?
F9 C15 F8 111.1(13) . . ?
F9 C15 C16 117.5(11) . . ?
O5 C16 C15 112.0(8) . . ?
O5 C16 C17 129.0(6) . . ?
C17 C16 C15 119.0(8) . . ?
C16 C17 C18 123.2(7) . . ?
O6 C18 C17 122.6(6) . . ?
O6 C18 C19 116.5(5) . . ?
C17 C18 C19 120.9(6) . . ?
C20 C19 C18 122.3(6) . . ?
C24 C19 C18 119.3(5) . . ?
C24 C19 C20 118.2(6) . . ?
C21 C20 C19 121.0(6) . . ?
C20 C21 C22 120.7(6) . . ?
C21 C22 C23 119.6(6) . . ?
C22 C23 C25 121.3(6) . . ?
C24 C23 C22 118.7(6) . . ?
C24 C23 C25 120.0(5) . . ?
C23 C24 C19 121.8(5) . . ?
O7 C25 C23 118.0(5) . . ?
O7 C25 C26 122.9(6) . . ?
C26 C25 C23 119.1(6) . . ?
C27 C26 C25 121.9(7) . . ?
O8 C27 C26 128.5(7) . . ?
O8 C27 C28 113.9(7) . . ?
C26 C27 C28 117.6(8) . . ?
F10 C28 C27 115.4(8) . . ?
F11 C28 F10 102.7(8) . . ?
F11 C28 C27 111.4(8) . . ?
F12 C28 F10 103.4(9) . . ?
F12 C28 F11 108.1(9) . . ?
F12 C28 C27 114.8(7) . . ?
F13 C29 F14 100.3(11) . . ?
F13 C29 C30 114.4(11) . . ?
F14 C29 C30 112.8(11) . . ?
F15 C29 F13 101.8(12) . . ?
F15 C29 F14 110.5(13) . . ?
F15 C29 C30 115.6(10) . . ?
O9 C30 C29 112.8(8) . . ?
O9 C30 C31 128.7(7) . . ?
C31 C30 C29 118.5(8) . . ?
C30 C31 C32 123.6(7) . . ?
O10 C32 C31 123.1(7) . . ?
O10 C32 C33 117.3(6) . . ?
C31 C32 C33 119.6(7) . . ?
C34 C33 C32 121.8(7) . . ?
C38 C33 C32 119.3(6) . . ?
C38 C33 C34 118.9(7) . . ?
C35 C34 C33 119.9(9) . . ?
C34 C35 C36 120.2(9) . . ?
C37 C36 C35 120.9(9) . . ?
C36 C37 C38 118.9(8) . . ?
C36 C37 C39 120.9(7) . . ?
C38 C37 C39 120.2(6) . . ?
C33 C38 C37 121.0(6) . . ?
O11 C39 C37 117.8(6) . . ?
O11 C39 C40 122.4(8) . . ?
C40 C39 C37 119.8(7) . . ?
C41 C40 C39 123.1(8) . . ?
O12 C41 C40 128.1(8) . . ?
O12 C41 C42 112.7(11) . . ?
C40 C41 C42 119.2(11) . . ?
F16 C42 C41 114.8(12) . . ?
F17 C42 F16 100.2(15) . . ?
F17 C42 F18 100.8(13) . . ?
F17 C42 C41 114.7(16) . . ?
F18 C42 F16 108.9(17) . . ?
F18 C42 C41 115.5(14) . . ?
N1 C43 C44 124.1(10) . . ?
C43 C44 C45 117.0(9) . . ?
C43 C44 C53 120.3(13) . . ?
C45 C44 C53 122.7(12) . . ?
C46 C45 C44 120.1(9) . . ?
C45 C46 C47 120.3(10) . . ?
N1 C47 C46 120.6(8) . . ?
N1 C47 C48 116.3(6) . . ?
C46 C47 C48 123.1(8) . . ?
N2 C48 C47 117.4(6) . . ?
N2 C48 C49 119.7(7) . . ?
C49 C48 C47 122.9(7) . . ?
C50 C49 C48 119.3(8) . . ?
C51 C50 C49 121.7(8) . . ?
C50 C51 C52 115.3(9) . . ?
C50 C51 C54 123.7(8) . . ?
C52 C51 C54 120.8(8) . . ?
N2 C52 C51 124.9(7) . . ?
N4 C55 C56 125.1(9) . . ?
C55 C56 C65 119.8(10) . . ?
C57 C56 C55 115.8(8) . . ?
C57 C56 C65 124.4(9) . . ?
C58 C57 C56 120.1(8) . . ?
C57 C58 C59 121.2(8) . . ?
N4 C59 C58 119.5(7) . . ?
N4 C59 C60 116.6(6) . . ?
C58 C59 C60 123.9(7) . . ?
N3 C60 C59 115.6(6) . . ?
N3 C60 C61 120.8(7) . . ?
C61 C60 C59 123.5(7) . . ?
C62 C61 C60 119.6(8) . . ?
C61 C62 C63 120.6(8) . . ?
C62 C63 C64 116.8(8) . . ?
C62 C63 C66 123.4(8) . . ?
C64 C63 C66 119.8(9) . . ?
N3 C64 C63 123.7(8) . . ?

_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 5.574
_oxdiff_exptl_absorpt_empirical_full_min 0.465

# start Validation Reply Form
_vrf_PLAT029_exp_11817           
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low .      0.940 Why?  
RESPONSE: Probably, the reflections are very weak at the high angle.
;
# end Validation Reply Form
####################################################################### 
# 
# 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_exp_11728
_database_code_depnum_ccdc_archive 'CCDC 2203527'
loop_
_audit_author_name
_audit_author_address
'sheng zhang'
;Hainan University
China
;
_audit_update_record             
;
2022-12-07 deposited with the CCDC.	2023-01-02 downloaded from the CCDC.
;
_audit_creation_date             2022-11-22
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C78 H38 Dy2 F18 N8 O12'
_chemical_formula_sum            'C78 H38 Dy2 F18 N8 O12'
_chemical_formula_weight         1946.16
_chemical_absolute_configuration ?
_chemical_melting_point          ?
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'
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'
N N 0.0311 0.0180 '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           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   11.7990(5)
_cell_length_b                   27.8502(8)
_cell_length_c                   11.8914(4)
_cell_angle_alpha                90
_cell_angle_beta                 102.167(4)
_cell_angle_gamma                90
_cell_volume                     3819.8(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7114
_cell_measurement_temperature    293.0(2)
_cell_measurement_theta_max      68.7120
_cell_measurement_theta_min      3.8490
_shelx_estimated_absorpt_T_max   0.504
_shelx_estimated_absorpt_T_min   0.464
_exptl_absorpt_coefficient_mu    11.332
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.37987
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'light yellow'
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.692
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1904
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0469
_diffrn_reflns_av_unetI/netI     0.0749
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            25329
_diffrn_reflns_point_group_measured_fraction_full 0.823
_diffrn_reflns_point_group_measured_fraction_max 0.823
_diffrn_reflns_theta_full        67.249
_diffrn_reflns_theta_max         67.249
_diffrn_reflns_theta_min         3.174
_diffrn_ambient_temperature      293.0(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.1281
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -58.00  15.00   1.00    7.50    --    0.00 -37.00-150.00   73
  2  ω    -77.00 -52.00   1.00    7.50    --    0.00 178.00  60.00   25
  3  ω    -15.00  69.00   1.00    7.50    --    0.00  57.00   0.00   84
  4  ω     13.00  70.00   1.00   30.00    --   54.63 -57.00 -30.00   57
  5  ω     62.00 112.00   1.00   30.00    --   54.63-125.00 150.00   50
  6  ω    -11.00  73.00   1.00   30.00    --   54.63 -57.00 150.00   84
  7  ω     -2.00  76.00   1.00   30.00    --   54.63 -57.00  60.00   78
  8  ω     82.00 123.00   1.00   30.00    --   54.63  77.00 -90.00   41
  9  ω     14.00 125.00   1.00   30.00    --   54.63  19.00  60.00  111
 10  ω    -11.00  73.00   1.00   30.00    --   54.63 -57.00-120.00   84
 11  ω     89.00 176.00   1.00   30.00    --  109.26  63.00-150.00   87
 12  ω    124.00 151.00   1.00   30.00    --  109.26 111.00-150.00   27
 13  ω     39.00 111.00   1.00   30.00    --  109.26-111.00  90.00   72
 14  ω     46.00 130.00   1.00   30.00    --  109.26 -50.00-180.00   84
 15  ω     97.00 137.00   1.00   30.00    --  109.26 -77.00 -90.00   40
 16  ω     41.00 134.00   1.00   30.00    --  109.26 -37.00 -90.00   93
 17  ω     59.00 108.00   1.00   30.00    --  109.26-111.00   0.00   49
 18  ω     51.00 133.00   1.00   30.00    --  109.26 -37.00  60.00   82
 19  ω     67.00 112.00   1.00   30.00    --  109.26-111.00 -90.00   45
 20  ω    101.00 127.00   1.00   30.00    --  109.26 111.00 150.00   26
 21  ω     87.00 112.00   1.00   30.00    --  109.26-111.00-180.00   25
 22  ω    108.00 151.00   1.00   30.00    --  109.26 111.00-120.00   43
 23  ω     43.00 134.00   1.00   30.00    --  109.26 -77.00  90.00   91
 24  ω     55.00  87.00   1.00   30.00    --  109.26 -77.00 -90.00   32
 25  ω     50.00 177.00   1.00   30.00    --  109.26  12.00 -30.00  127
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1114060000
_diffrn_orient_matrix_UB_12      -0.0233791000
_diffrn_orient_matrix_UB_13      -0.0693730000
_diffrn_orient_matrix_UB_21      0.0734728000
_diffrn_orient_matrix_UB_22      -0.0382759000
_diffrn_orient_matrix_UB_23      -0.0450094000
_diffrn_orient_matrix_UB_31      -0.0065368000
_diffrn_orient_matrix_UB_32      -0.0323355000
_diffrn_orient_matrix_UB_33      0.1036090000
_diffrn_radiation_collimation    ?
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_target            ?
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.609
_reflns_Friedel_fraction_full    0.637
_reflns_Friedel_fraction_max     0.637
_reflns_number_gt                8894
_reflns_number_total             11240
_reflns_odcompleteness_completeness 99.99
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_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    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         0.517
_refine_diff_density_min         -0.382
_refine_diff_density_rms         0.053
_refine_ls_abs_structure_details 
;
 Flack x determined using 2544 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.010(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.881
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1144
_refine_ls_number_reflns         11240
_refine_ls_number_restraints     384
_refine_ls_R_factor_all          0.0541
_refine_ls_R_factor_gt           0.0386
_refine_ls_restrained_S_all      0.894
_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)+(0.0064P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0602
_refine_ls_wR_factor_ref         0.0664
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 C1-F1 = C1-F2 = C1-F3 = C14-F4 = C14-F5 = C14-F6
 1.32 with sigma of 0.01
 C1-F1' = C1-F2' = C1-F3'
 1.32 with sigma of 0.01
 C15-F7 = C15-F8 = C15-F9 = C28-F10 = C28-F11 = C28-F12
 1.32 with sigma of 0.01
 C28-F10' = C28-F11' = C28-F12' = C29-F13' = C29-F14' = C29-F15'
 1.32 with sigma of 0.01
 C29-F13 = C29-F14 = C29-F15 = C42-F16 = C42-F17 = C42-F18
 1.32 with sigma of 0.01
 F1-F2 = F2-F3 = F3-F1 = F4-F5 = F5-F6 = F6-F4
 2.1 with sigma of 0.01
 F1'-F2' = F2'-F3' = F3'-F1'
 2.1 with sigma of 0.01
 F7-F8 = F8-F9 = F9-F7 = F10-F11 = F11-F12 = F12-F10
 2.1 with sigma of 0.01
 F13-F14 = F14-F15 = F15-F13 = F16-F17 = F17-F18 = F18-F16
 2.1 with sigma of 0.01
 F10'-F11' = F11'-F12' = F12'-F10' = F13'-F14' = F14'-F15' = F15'-F13'
 2.1 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
F1 \\sim F2 \\sim F3 \\sim F2' \\sim F3' \\sim F1' \\sim F4 \\sim F5 \\sim F6
\\sim F7 \\sim F8 \\sim F9 \\sim F10 \\sim F11 \\sim F12 \\sim F13 \\sim F14
\\sim F15 \\sim F12' \\sim F10' \\sim F11' \\sim F13' \\sim F14' \\sim F15'
\\sim F16 \\sim F17 \\sim F18: within 3.8A with sigma of 0.02 and sigma for
terminal atoms of 0.04
4. Others
 Sof(F12')=Sof(F10')=Sof(F11')=1-FVAR(1)
 Sof(F10)=Sof(F11)=Sof(F12)=FVAR(1)
 Sof(F13')=Sof(F14')=Sof(F15')=1-FVAR(2)
 Sof(F13)=Sof(F14)=Sof(F15)=FVAR(2)
 Sof(F2')=Sof(F3')=Sof(F1')=1-FVAR(3)
 Sof(F1)=Sof(F2)=Sof(F3)=FVAR(3)
 Fixed X: Dy2(0.80564)
 Fixed Y: Dy2(0.84202)
 Fixed Z: Dy2(0.510409)
5.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C6(H6), C7(H7), C8(H8), C10(H10), C12(H12), C17(H17), C20(H20),
 C21(H21), C22(H22), C24(H24), C26(H26), C31(H31), C34(H34), C35(H35), C36(H36),
  C38(H38), C40(H40), C43(H43), C44(H44), C45(H45), C49(H49), C50(H50),
 C51(H51), C56(H56), C57(H57), C58(H58), C59(H59), C61(H61), C62(H62), C63(H63),
  C67(H67), C68(H68), C69(H69), C75(H75), C76(H76), C77(H77), C78(H78)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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 0.50848(4) 1.07377(3) 0.19565(4) 0.05082(12) Uani 1 1 d . . . . .
Dy2 Dy 0.805640 0.842020 0.510409 0.0758(2) Uani 1 1 d . . . . .
F1 F 0.4847(15) 1.2353(8) 0.3029(18) 0.121(7) Uani 0.55(2) 1 d D U P A 1
F2 F 0.577(2) 1.2339(5) 0.4726(9) 0.103(5) Uani 0.55(2) 1 d D U P A 1
F3 F 0.6688(16) 1.2377(5) 0.339(2) 0.123(6) Uani 0.55(2) 1 d D U P A 1
F2' F 0.649(2) 1.2407(7) 0.449(2) 0.147(9) Uani 0.45(2) 1 d D U P A 2
F3' F 0.607(3) 1.2338(7) 0.2698(17) 0.120(7) Uani 0.45(2) 1 d D U P A 2
F1' F 0.4746(13) 1.2349(9) 0.363(3) 0.107(7) Uani 0.45(2) 1 d D U P A 2
F4 F 1.1659(7) 0.8905(3) 0.8812(6) 0.157(3) Uani 1 1 d D U . . .
F5 F 1.1057(8) 0.8217(3) 0.8402(8) 0.213(5) Uani 1 1 d D U . . .
F6 F 1.2194(7) 0.8536(4) 0.7497(8) 0.196(5) Uani 1 1 d D U . . .
F7 F 0.7027(6) 1.1902(2) 0.0074(7) 0.142(3) Uani 1 1 d D U . . .
F8 F 0.8371(8) 1.1501(2) -0.0345(7) 0.158(4) Uani 1 1 d D U . . .
F9 F 0.8532(7) 1.1783(3) 0.1293(6) 0.154(4) Uani 1 1 d D U . . .
F10 F 1.107(3) 0.7556(10) 0.246(2) 0.172(9) Uani 0.494(16) 1 d D U P B 1
F11 F 1.134(2) 0.7508(9) 0.4265(17) 0.161(8) Uani 0.494(16) 1 d D U P B 1
F12 F 1.0000(15) 0.7115(5) 0.324(3) 0.150(8) Uani 0.494(16) 1 d D U P B 1
F13 F 0.0606(10) 1.0977(5) 0.1445(9) 0.095(4) Uani 0.643(15) 1 d D U P C 1
F14 F 0.1289(10) 1.1025(7) -0.0043(13) 0.125(6) Uani 0.643(15) 1 d D U P C 1
F15 F 0.0379(10) 1.0410(4) 0.0279(16) 0.128(6) Uani 0.643(15) 1 d D U P C 1
F12' F 1.018(2) 0.7295(9) 0.2314(18) 0.159(8) Uani 0.506(16) 1 d D U P B 2
F10' F 1.1580(14) 0.7680(6) 0.326(3) 0.148(8) Uani 0.506(16) 1 d D U P B 2
F11' F 1.066(3) 0.7194(8) 0.410(2) 0.171(8) Uani 0.506(16) 1 d D U P B 2
F13' F 0.115(2) 1.1190(4) 0.071(3) 0.127(9) Uani 0.357(15) 1 d D U P C 2
F14' F 0.104(2) 1.0569(10) -0.0295(12) 0.106(8) Uani 0.357(15) 1 d D U P C 2
F15' F 0.0286(14) 1.0580(12) 0.117(2) 0.120(8) Uani 0.357(15) 1 d D U P C 2
F16 F 0.6583(8) 0.8748(3) 0.8964(6) 0.167(4) Uani 1 1 d D U . . .
F17 F 0.5440(8) 0.8192(3) 0.8562(6) 0.188(5) Uani 1 1 d D U . . .
F18 F 0.7219(10) 0.8056(4) 0.8850(7) 0.223(6) Uani 1 1 d D U . . .
N1 N 0.4165(7) 1.1241(3) 0.0194(6) 0.065(2) Uani 1 1 d . . . . .
N2 N 0.4403(6) 1.0289(2) 0.0043(6) 0.0566(19) Uani 1 1 d . . . . .
N3 N 0.1529(7) 1.1262(3) -0.3514(6) 0.079(3) Uani 1 1 d . . . . .
N4 N 0.1873(7) 1.0259(3) -0.3692(6) 0.077(3) Uani 1 1 d . . . . .
N5 N 0.6646(7) 0.7895(3) 0.3696(6) 0.078(2) Uani 1 1 d . . . . .
N6 N 0.7840(7) 0.7574(3) 0.5735(6) 0.069(2) Uani 1 1 d . . . . .
N7 N 0.4827(6) 0.6370(3) 0.2826(5) 0.0603(19) Uani 1 1 d . . . . .
N8 N 0.6149(6) 0.6008(2) 0.4915(5) 0.0568(18) Uani 1 1 d . . . . .
O1 O 0.5044(5) 1.14486(18) 0.2902(4) 0.0531(14) Uani 1 1 d . . . . .
O2 O 0.6265(4) 1.06342(18) 0.3776(4) 0.0522(14) Uani 1 1 d . . . . .
O3 O 0.8390(6) 0.9234(2) 0.5517(5) 0.075(2) Uani 1 1 d . . . . .
O4 O 0.9753(6) 0.8459(2) 0.6416(6) 0.089(2) Uani 1 1 d . . . . .
O5 O 0.6505(6) 1.1218(2) 0.1444(5) 0.0636(17) Uani 1 1 d . . . . .
O6 O 0.6570(5) 1.0248(2) 0.1664(5) 0.0543(15) Uani 1 1 d . . . . .
O7 O 0.8231(6) 0.8750(2) 0.3381(6) 0.0755(19) Uani 1 1 d . . . . .
O8 O 0.9344(8) 0.7938(3) 0.4344(7) 0.102(3) Uani 1 1 d . . . . .
O9 O 0.3083(4) 1.0821(2) 0.1695(4) 0.0577(15) Uani 1 1 d . . . . .
O10 O 0.4322(5) 1.0028(2) 0.2553(5) 0.0604(15) Uani 1 1 d . . . . .
O11 O 0.6223(7) 0.8722(2) 0.4793(6) 0.082(2) Uani 1 1 d . . . . .
O12 O 0.7463(8) 0.8442(3) 0.6903(6) 0.094(2) Uani 1 1 d . . . . .
C1 C 0.5790(8) 1.2183(3) 0.3670(7) 0.077(3) Uani 1 1 d D . . . .
C2 C 0.5835(8) 1.1632(3) 0.3663(8) 0.059(2) Uani 1 1 d . . . . .
C3 C 0.6680(7) 1.1410(3) 0.4459(7) 0.061(2) Uani 1 1 d . . . . .
H3 H 0.719024 1.159877 0.498029 0.074 Uiso 1 1 calc R . . . .
C4 C 0.6808(7) 1.0907(3) 0.4520(7) 0.055(2) Uani 1 1 d . . . . .
C5 C 0.7673(6) 1.0693(3) 0.5505(5) 0.0460(16) Uani 1 1 d . . . . .
C6 C 0.8191(7) 1.0961(3) 0.6460(7) 0.061(2) Uani 1 1 d . . . . .
H6 H 0.799433 1.128269 0.650844 0.073 Uiso 1 1 calc R . . . .
C7 C 0.8999(7) 1.0753(4) 0.7340(6) 0.064(2) Uani 1 1 d . . . . .
H7 H 0.935485 1.093770 0.796730 0.077 Uiso 1 1 calc R . . . .
C8 C 0.9279(8) 1.0273(3) 0.7289(7) 0.061(2) Uani 1 1 d . . . . .
H8 H 0.981803 1.013605 0.788702 0.074 Uiso 1 1 calc R . . . .
C9 C 0.8762(7) 0.9992(3) 0.6349(7) 0.052(2) Uani 1 1 d . . . . .
C10 C 0.7966(7) 1.0213(3) 0.5481(6) 0.054(2) Uani 1 1 d . . . . .
H10 H 0.761193 1.002962 0.485143 0.065 Uiso 1 1 calc R . . . .
C11 C 0.9030(8) 0.9468(3) 0.6261(7) 0.059(2) Uani 1 1 d . . . . .
C12 C 1.0002(8) 0.9264(4) 0.7043(8) 0.071(3) Uani 1 1 d . . . . .
H12 H 1.048090 0.946187 0.756686 0.085 Uiso 1 1 calc R . . . .
C13 C 1.0242(8) 0.8778(4) 0.7034(9) 0.073(3) Uani 1 1 d . . . . .
C14 C 1.1305(9) 0.8613(4) 0.7939(10) 0.110(5) Uani 1 1 d D . . . .
C15 C 0.7797(8) 1.1580(3) 0.0468(8) 0.076(3) Uani 1 1 d D . . . .
C16 C 0.7257(8) 1.1133(3) 0.0878(7) 0.055(2) Uani 1 1 d . . . . .
C17 C 0.7681(6) 1.0695(4) 0.0640(6) 0.0572(19) Uani 1 1 d . . . . .
H17 H 0.821207 1.068193 0.016395 0.069 Uiso 1 1 calc R . . . .
C18 C 0.7341(8) 1.0265(3) 0.1091(7) 0.052(2) Uani 1 1 d . . . . .
C19 C 0.7949(7) 0.9810(3) 0.0919(7) 0.053(2) Uani 1 1 d . . . . .
C20 C 0.8420(10) 0.9735(4) -0.0028(9) 0.077(3) Uani 1 1 d . . . . .
H20 H 0.835535 0.997282 -0.058627 0.092 Uiso 1 1 calc R . . . .
C21 C 0.8984(10) 0.9316(4) -0.0167(9) 0.096(4) Uani 1 1 d . . . . .
H21 H 0.927350 0.926767 -0.082775 0.115 Uiso 1 1 calc R . . . .
C22 C 0.9124(10) 0.8965(4) 0.0680(9) 0.090(3) Uani 1 1 d . . . . .
H22 H 0.954195 0.868688 0.061183 0.108 Uiso 1 1 calc R . . . .
C23 C 0.8634(8) 0.9033(3) 0.1626(7) 0.060(2) Uani 1 1 d . . . . .
C24 C 0.8047(7) 0.9447(3) 0.1728(7) 0.057(2) Uani 1 1 d . . . . .
H24 H 0.770388 0.948703 0.235774 0.069 Uiso 1 1 calc R . . . .
C25 C 0.8739(9) 0.8664(3) 0.2583(9) 0.071(3) Uani 1 1 d . . . . .
C26 C 0.9446(10) 0.8253(3) 0.2540(10) 0.090(4) Uani 1 1 d . . . . .
H26 H 0.975971 0.820349 0.189414 0.108 Uiso 1 1 calc R . . . .
C27 C 0.9678(10) 0.7925(4) 0.3434(12) 0.087(3) Uani 1 1 d . . . . .
C28 C 1.0529(10) 0.7528(4) 0.3305(10) 0.119(5) Uani 1 1 d D . . . .
C29 C 0.1150(6) 1.0727(3) 0.0767(7) 0.073(2) Uani 1 1 d D . . . .
C30 C 0.2304(8) 1.0520(3) 0.1448(7) 0.059(2) Uani 1 1 d . . . . .
C31 C 0.2316(8) 1.0052(4) 0.1732(7) 0.075(3) Uani 1 1 d . . . . .
H31 H 0.166329 0.986358 0.146762 0.090 Uiso 1 1 calc R . . . .
C32 C 0.3319(8) 0.9843(3) 0.2433(8) 0.063(2) Uani 1 1 d . . . . .
C33 C 0.3229(9) 0.9402(3) 0.3118(8) 0.074(3) Uani 1 1 d . . . . .
C34 C 0.2175(10) 0.9213(4) 0.3249(10) 0.099(4) Uani 1 1 d . . . . .
H34 H 0.148695 0.933339 0.280953 0.119 Uiso 1 1 calc R . . . .
C35 C 0.2143(12) 0.8846(5) 0.4033(13) 0.135(6) Uani 1 1 d . . . . .
H35 H 0.143584 0.871458 0.410049 0.161 Uiso 1 1 calc R . . . .
C36 C 0.3152(12) 0.8679(4) 0.4705(11) 0.116(5) Uani 1 1 d . . . . .
H36 H 0.311817 0.844958 0.526613 0.139 Uiso 1 1 calc R . . . .
C37 C 0.4225(10) 0.8844(3) 0.4566(9) 0.078(3) Uani 1 1 d . . . . .
C38 C 0.4251(8) 0.9208(3) 0.3765(8) 0.066(3) Uani 1 1 d . . . . .
H38 H 0.496170 0.932361 0.366092 0.080 Uiso 1 1 calc R . . . .
C39 C 0.5353(10) 0.8684(3) 0.5233(9) 0.072(3) Uani 1 1 d . . . . .
C40 C 0.5416(12) 0.8523(3) 0.6399(10) 0.094(4) Uani 1 1 d . . . . .
H40 H 0.473642 0.847661 0.666464 0.113 Uiso 1 1 calc R . . . .
C41 C 0.6455(12) 0.8437(4) 0.7109(10) 0.084(3) Uani 1 1 d . . . . .
C42 C 0.6426(11) 0.8350(4) 0.8374(10) 0.119(5) Uani 1 1 d D . . . .
C43 C 0.4004(10) 1.1713(3) 0.0297(8) 0.079(3) Uani 1 1 d . . . . .
H43 H 0.441196 1.186994 0.094826 0.095 Uiso 1 1 calc R . . . .
C44 C 0.3245(10) 1.1981(4) -0.0536(8) 0.092(4) Uani 1 1 d . . . . .
H44 H 0.313789 1.230727 -0.043054 0.110 Uiso 1 1 calc R . . . .
C45 C 0.2660(9) 1.1751(4) -0.1518(8) 0.081(3) Uani 1 1 d . . . . .
H45 H 0.215517 1.192282 -0.208080 0.097 Uiso 1 1 calc R . . . .
C46 C 0.2824(8) 1.1264(4) -0.1664(7) 0.063(3) Uani 1 1 d . . . . .
C47 C 0.3561(8) 1.1025(3) -0.0778(7) 0.059(2) Uani 1 1 d . . . . .
C48 C 0.3707(8) 1.0508(3) -0.0858(7) 0.055(2) Uani 1 1 d . . . . .
C49 C 0.4542(9) 0.9822(3) -0.0023(8) 0.074(3) Uani 1 1 d . . . . .
H49 H 0.500202 0.966710 0.060294 0.089 Uiso 1 1 calc R . . . .
C50 C 0.4044(9) 0.9550(3) -0.0964(8) 0.077(3) Uani 1 1 d . . . . .
H50 H 0.418165 0.922135 -0.097440 0.093 Uiso 1 1 calc R . . . .
C51 C 0.3338(9) 0.9772(4) -0.1893(8) 0.080(3) Uani 1 1 d . . . . .
H51 H 0.299005 0.959639 -0.253950 0.096 Uiso 1 1 calc R . . . .
C52 C 0.3163(8) 1.0258(4) -0.1838(7) 0.062(3) Uani 1 1 d . . . . .
C53 C 0.2391(9) 1.0507(4) -0.2788(8) 0.068(3) Uani 1 1 d . . . . .
C54 C 0.2228(8) 1.1009(4) -0.2692(8) 0.067(3) Uani 1 1 d . . . . .
C55 C 0.0998(10) 1.1000(5) -0.4448(9) 0.087(4) Uani 1 1 d . . . . .
C56 C 0.0216(10) 1.1252(5) -0.5341(9) 0.104(4) Uani 1 1 d . . . . .
H56 H 0.008829 1.157930 -0.527951 0.125 Uiso 1 1 calc R . . . .
C57 C -0.0331(13) 1.1001(7) -0.6275(11) 0.118(5) Uani 1 1 d . . . . .
H57 H -0.083756 1.115899 -0.686424 0.142 Uiso 1 1 calc R . . . .
C58 C -0.0147(13) 1.0518(7) -0.6362(11) 0.126(6) Uani 1 1 d . . . . .
H58 H -0.053852 1.036002 -0.701927 0.152 Uiso 1 1 calc R . . . .
C59 C 0.0587(11) 1.0250(5) -0.5532(9) 0.111(5) Uani 1 1 d . . . . .
H59 H 0.069427 0.992262 -0.561940 0.133 Uiso 1 1 calc R . . . .
C60 C 0.1169(11) 1.0505(5) -0.4536(9) 0.086(4) Uani 1 1 d . . . . .
C61 C 0.6026(11) 0.8072(4) 0.2730(9) 0.093(4) Uani 1 1 d . . . . .
H61 H 0.616893 0.838522 0.252741 0.112 Uiso 1 1 calc R . . . .
C62 C 0.5171(11) 0.7812(4) 0.2004(9) 0.100(4) Uani 1 1 d . . . . .
H62 H 0.474840 0.795083 0.133487 0.120 Uiso 1 1 calc R . . . .
C63 C 0.4956(10) 0.7354(3) 0.2278(8) 0.084(3) Uani 1 1 d . . . . .
H63 H 0.436550 0.717684 0.181925 0.101 Uiso 1 1 calc R . . . .
C64 C 0.5653(8) 0.7150(3) 0.3283(7) 0.064(2) Uani 1 1 d . . . . .
C65 C 0.6468(9) 0.7438(3) 0.3964(7) 0.067(3) Uani 1 1 d . . . . .
C66 C 0.7121(8) 0.7257(3) 0.5077(7) 0.060(2) Uani 1 1 d . . . . .
C67 C 0.8403(9) 0.7424(3) 0.6755(8) 0.080(3) Uani 1 1 d . . . . .
H67 H 0.889609 0.763782 0.722358 0.096 Uiso 1 1 calc R . . . .
C68 C 0.8289(9) 0.6956(3) 0.7166(8) 0.080(3) Uani 1 1 d . . . . .
H68 H 0.869832 0.686461 0.789001 0.096 Uiso 1 1 calc R . . . .
C69 C 0.7572(8) 0.6639(3) 0.6487(7) 0.063(3) Uani 1 1 d . . . . .
H69 H 0.748828 0.632810 0.674360 0.076 Uiso 1 1 calc R . . . .
C70 C 0.6963(8) 0.6785(3) 0.5404(7) 0.055(2) Uani 1 1 d . . . . .
C71 C 0.6199(7) 0.6464(3) 0.4634(7) 0.054(2) Uani 1 1 d . . . . .
C72 C 0.5521(8) 0.6650(3) 0.3566(7) 0.059(2) Uani 1 1 d . . . . .
C73 C 0.4780(7) 0.5898(3) 0.3120(7) 0.058(2) Uani 1 1 d . . . . .
C74 C 0.5440(6) 0.5726(4) 0.4175(6) 0.0556(18) Uani 1 1 d . . . . .
C75 C 0.5364(9) 0.5233(3) 0.4425(8) 0.069(3) Uani 1 1 d . . . . .
H75 H 0.579747 0.510814 0.510673 0.082 Uiso 1 1 calc R . . . .
C76 C 0.4652(10) 0.4938(3) 0.3663(9) 0.082(3) Uani 1 1 d . . . . .
H76 H 0.458641 0.461598 0.384746 0.098 Uiso 1 1 calc R . . . .
C77 C 0.4032(9) 0.5110(4) 0.2630(8) 0.074(3) Uani 1 1 d . . . . .
H77 H 0.357566 0.490064 0.211562 0.088 Uiso 1 1 calc R . . . .
C78 C 0.4079(8) 0.5589(3) 0.2350(8) 0.067(3) Uani 1 1 d . . . . .
H78 H 0.364888 0.570378 0.165580 0.081 Uiso 1 1 calc R . . . .


_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 N1 2.565(7) . ?
Dy1 N2 2.572(7) . ?
Dy1 O1 2.283(5) . ?
Dy1 O2 2.331(4) . ?
Dy1 O5 2.325(7) . ?
Dy1 O6 2.304(6) . ?
Dy1 O9 2.328(5) . ?
Dy1 O10 2.343(5) . ?
Dy2 N5 2.556(7) . ?
Dy2 N6 2.502(7) . ?
Dy2 O3 2.336(6) . ?
Dy2 O4 2.266(6) . ?
Dy2 O7 2.294(6) . ?
Dy2 O8 2.347(9) . ?
Dy2 O11 2.277(7) . ?
Dy2 O12 2.388(8) . ?
F1 C1 1.298(11) . ?
F2 C1 1.334(10) . ?
F3 C1 1.292(10) . ?
F2' C1 1.300(11) . ?
F3' C1 1.339(11) . ?
F1' C1 1.308(11) . ?
F4 C14 1.316(10) . ?
F5 C14 1.295(9) . ?
F6 C14 1.287(10) . ?
F7 C15 1.292(9) . ?
F8 C15 1.310(9) . ?
F9 C15 1.295(9) . ?
F10 C28 1.303(12) . ?
F11 C28 1.327(11) . ?
F12 C28 1.305(11) . ?
F13 C29 1.328(9) . ?
F14 C29 1.308(10) . ?
F15 C29 1.312(9) . ?
F12' C28 1.332(12) . ?
F10' C28 1.320(12) . ?
F11' C28 1.312(11) . ?
F13' C29 1.290(11) . ?
F14' C29 1.318(11) . ?
F15' C29 1.281(11) . ?
F16 C42 1.303(10) . ?
F17 C42 1.308(10) . ?
F18 C42 1.283(10) . ?
N1 C43 1.336(10) . ?
N1 C47 1.365(10) . ?
N2 C48 1.350(10) . ?
N2 C49 1.314(10) . ?
N3 C54 1.337(11) . ?
N3 C55 1.365(12) . ?
N4 C53 1.316(11) . ?
N4 C60 1.347(13) . ?
N5 C61 1.321(10) . ?
N5 C65 1.340(10) . ?
N6 C66 1.354(10) . ?
N6 C67 1.322(10) . ?
N7 C72 1.322(10) . ?
N7 C73 1.364(9) . ?
N8 C71 1.318(9) . ?
N8 C74 1.334(10) . ?
O1 C2 1.262(9) . ?
O2 C4 1.237(8) . ?
O3 C11 1.223(9) . ?
O4 C13 1.219(11) . ?
O5 C16 1.244(11) . ?
O6 C18 1.248(10) . ?
O7 C25 1.248(11) . ?
O8 C27 1.228(13) . ?
O9 C30 1.232(9) . ?
O10 C32 1.271(10) . ?
O11 C39 1.251(12) . ?
O12 C41 1.264(13) . ?
C1 C2 1.537(11) . ?
C2 C3 1.369(11) . ?
C3 H3 0.9300 . ?
C3 C4 1.410(10) . ?
C4 C5 1.505(10) . ?
C5 C6 1.388(10) . ?
C5 C10 1.383(11) . ?
C6 H6 0.9300 . ?
C6 C7 1.385(10) . ?
C7 H7 0.9300 . ?
C7 C8 1.382(12) . ?
C8 H8 0.9300 . ?
C8 C9 1.396(10) . ?
C9 C10 1.384(10) . ?
C9 C11 1.501(11) . ?
C10 H10 0.9300 . ?
C11 C12 1.432(11) . ?
C12 H12 0.9300 . ?
C12 C13 1.381(12) . ?
C13 C14 1.541(13) . ?
C15 C16 1.525(12) . ?
C16 C17 1.370(12) . ?
C17 H17 0.9300 . ?
C17 C18 1.403(11) . ?
C18 C19 1.493(11) . ?
C19 C20 1.373(12) . ?
C19 C24 1.383(10) . ?
C20 H20 0.9300 . ?
C20 C21 1.369(12) . ?
C21 H21 0.9300 . ?
C21 C22 1.390(13) . ?
C22 H22 0.9300 . ?
C22 C23 1.382(12) . ?
C23 C24 1.364(11) . ?
C23 C25 1.521(12) . ?
C24 H24 0.9300 . ?
C25 C26 1.423(12) . ?
C26 H26 0.9300 . ?
C26 C27 1.385(14) . ?
C27 C28 1.523(15) . ?
C29 C30 1.541(11) . ?
C30 C31 1.348(11) . ?
C31 H31 0.9300 . ?
C31 C32 1.420(12) . ?
C32 C33 1.489(12) . ?
C33 C34 1.388(14) . ?
C33 C38 1.396(12) . ?
C34 H34 0.9300 . ?
C34 C35 1.389(15) . ?
C35 H35 0.9300 . ?
C35 C36 1.369(16) . ?
C36 H36 0.9300 . ?
C36 C37 1.390(15) . ?
C37 C38 1.397(11) . ?
C37 C39 1.468(13) . ?
C38 H38 0.9300 . ?
C39 C40 1.445(13) . ?
C40 H40 0.9300 . ?
C40 C41 1.356(15) . ?
C41 C42 1.530(14) . ?
C43 H43 0.9300 . ?
C43 C44 1.402(12) . ?
C44 H44 0.9300 . ?
C44 C45 1.382(12) . ?
C45 H45 0.9300 . ?
C45 C46 1.385(12) . ?
C46 C47 1.387(11) . ?
C46 C54 1.459(12) . ?
C47 C48 1.456(10) . ?
C48 C52 1.393(11) . ?
C49 H49 0.9300 . ?
C49 C50 1.377(11) . ?
C50 H50 0.9300 . ?
C50 C51 1.382(12) . ?
C51 H51 0.9300 . ?
C51 C52 1.373(12) . ?
C52 C53 1.467(12) . ?
C53 C54 1.420(11) . ?
C55 C56 1.435(14) . ?
C55 C60 1.399(14) . ?
C56 H56 0.9300 . ?
C56 C57 1.355(16) . ?
C57 H57 0.9300 . ?
C57 C58 1.371(16) . ?
C58 H58 0.9300 . ?
C58 C59 1.386(17) . ?
C59 H59 0.9300 . ?
C59 C60 1.427(13) . ?
C61 H61 0.9300 . ?
C61 C62 1.385(13) . ?
C62 H62 0.9300 . ?
C62 C63 1.355(12) . ?
C63 H63 0.9300 . ?
C63 C64 1.418(11) . ?
C64 C65 1.376(12) . ?
C64 C72 1.449(11) . ?
C65 C66 1.472(11) . ?
C66 C70 1.394(11) . ?
C67 H67 0.9300 . ?
C67 C68 1.408(12) . ?
C68 H68 0.9300 . ?
C68 C69 1.364(11) . ?
C69 H69 0.9300 . ?
C69 C70 1.397(10) . ?
C70 C71 1.450(11) . ?
C71 C72 1.447(11) . ?
C73 C74 1.414(10) . ?
C73 C78 1.395(10) . ?
C74 C75 1.412(12) . ?
C75 H75 0.9300 . ?
C75 C76 1.372(12) . ?
C76 H76 0.9300 . ?
C76 C77 1.376(12) . ?
C77 H77 0.9300 . ?
C77 C78 1.378(12) . ?
C78 H78 0.9300 . ?

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
N1 Dy1 N2 62.8(2) . . ?
O1 Dy1 N1 83.1(2) . . ?
O1 Dy1 N2 145.33(19) . . ?
O1 Dy1 O2 73.75(18) . . ?
O1 Dy1 O5 73.8(2) . . ?
O1 Dy1 O6 133.11(19) . . ?
O1 Dy1 O9 81.57(19) . . ?
O1 Dy1 O10 122.23(19) . . ?
O2 Dy1 N1 153.3(2) . . ?
O2 Dy1 N2 140.8(2) . . ?
O2 Dy1 O10 78.86(18) . . ?
O5 Dy1 N1 71.0(2) . . ?
O5 Dy1 N2 99.0(2) . . ?
O5 Dy1 O2 89.6(2) . . ?
O5 Dy1 O9 132.4(2) . . ?
O5 Dy1 O10 155.4(2) . . ?
O6 Dy1 N1 113.9(2) . . ?
O6 Dy1 N2 71.6(2) . . ?
O6 Dy1 O2 75.07(19) . . ?
O6 Dy1 O5 71.84(18) . . ?
O6 Dy1 O9 145.21(19) . . ?
O6 Dy1 O10 84.2(2) . . ?
O9 Dy1 N1 66.0(2) . . ?
O9 Dy1 N2 79.1(2) . . ?
O9 Dy1 O2 121.80(18) . . ?
O9 Dy1 O10 71.4(2) . . ?
O10 Dy1 N1 125.9(2) . . ?
O10 Dy1 N2 77.8(2) . . ?
N6 Dy2 N5 64.2(2) . . ?
O3 Dy2 N5 138.6(2) . . ?
O3 Dy2 N6 151.0(2) . . ?
O3 Dy2 O8 122.8(3) . . ?
O3 Dy2 O12 81.7(2) . . ?
O4 Dy2 N5 146.8(2) . . ?
O4 Dy2 N6 88.2(2) . . ?
O4 Dy2 O3 74.0(2) . . ?
O4 Dy2 O7 111.3(3) . . ?
O4 Dy2 O8 75.1(3) . . ?
O4 Dy2 O11 139.9(3) . . ?
O4 Dy2 O12 76.4(3) . . ?
O7 Dy2 N5 79.2(2) . . ?
O7 Dy2 N6 132.8(2) . . ?
O7 Dy2 O3 75.9(2) . . ?
O7 Dy2 O8 72.4(2) . . ?
O7 Dy2 O12 152.7(2) . . ?
O8 Dy2 N5 78.8(3) . . ?
O8 Dy2 N6 72.1(3) . . ?
O8 Dy2 O12 134.1(3) . . ?
O11 Dy2 N5 68.9(3) . . ?
O11 Dy2 N6 104.1(3) . . ?
O11 Dy2 O3 77.8(2) . . ?
O11 Dy2 O7 88.2(2) . . ?
O11 Dy2 O8 144.9(3) . . ?
O11 Dy2 O12 71.8(3) . . ?
O12 Dy2 N5 109.2(3) . . ?
O12 Dy2 N6 71.8(3) . . ?
C43 N1 Dy1 120.4(6) . . ?
C43 N1 C47 117.0(8) . . ?
C47 N1 Dy1 120.4(6) . . ?
C48 N2 Dy1 120.4(6) . . ?
C49 N2 Dy1 120.9(6) . . ?
C49 N2 C48 117.5(8) . . ?
C54 N3 C55 114.8(10) . . ?
C53 N4 C60 116.6(10) . . ?
C61 N5 Dy2 121.4(7) . . ?
C61 N5 C65 118.4(8) . . ?
C65 N5 Dy2 120.1(6) . . ?
C66 N6 Dy2 122.1(5) . . ?
C67 N6 Dy2 120.6(6) . . ?
C67 N6 C66 117.2(8) . . ?
C72 N7 C73 116.8(7) . . ?
C71 N8 C74 117.1(7) . . ?
C2 O1 Dy1 127.9(5) . . ?
C4 O2 Dy1 134.9(5) . . ?
C11 O3 Dy2 136.0(6) . . ?
C13 O4 Dy2 133.4(6) . . ?
C16 O5 Dy1 131.8(6) . . ?
C18 O6 Dy1 136.4(6) . . ?
C25 O7 Dy2 138.6(6) . . ?
C27 O8 Dy2 135.3(8) . . ?
C30 O9 Dy1 130.4(5) . . ?
C32 O10 Dy1 135.7(6) . . ?
C39 O11 Dy2 137.4(7) . . ?
C41 O12 Dy2 129.7(7) . . ?
F1 C1 F2 104.6(10) . . ?
F1 C1 C2 112.9(12) . . ?
F2 C1 C2 109.8(9) . . ?
F3 C1 F1 110.2(10) . . ?
F3 C1 F2 106.2(9) . . ?
F3 C1 C2 112.6(10) . . ?
F2' C1 F3' 105.1(10) . . ?
F2' C1 F1' 107.8(11) . . ?
F2' C1 C2 117.7(11) . . ?
F3' C1 C2 107.6(11) . . ?
F1' C1 F3' 104.9(10) . . ?
F1' C1 C2 112.8(14) . . ?
O1 C2 C1 112.7(7) . . ?
O1 C2 C3 129.4(8) . . ?
C3 C2 C1 117.9(8) . . ?
C2 C3 H3 118.7 . . ?
C2 C3 C4 122.6(8) . . ?
C4 C3 H3 118.7 . . ?
O2 C4 C3 122.7(7) . . ?
O2 C4 C5 118.5(7) . . ?
C3 C4 C5 118.8(7) . . ?
C6 C5 C4 122.2(8) . . ?
C10 C5 C4 119.9(7) . . ?
C10 C5 C6 117.9(7) . . ?
C5 C6 H6 119.8 . . ?
C7 C6 C5 120.5(8) . . ?
C7 C6 H6 119.8 . . ?
C6 C7 H7 119.9 . . ?
C8 C7 C6 120.3(8) . . ?
C8 C7 H7 119.9 . . ?
C7 C8 H8 119.7 . . ?
C7 C8 C9 120.6(7) . . ?
C9 C8 H8 119.7 . . ?
C8 C9 C11 122.5(7) . . ?
C10 C9 C8 117.5(8) . . ?
C10 C9 C11 120.0(7) . . ?
C5 C10 C9 123.2(7) . . ?
C5 C10 H10 118.4 . . ?
C9 C10 H10 118.4 . . ?
O3 C11 C9 117.4(7) . . ?
O3 C11 C12 123.1(8) . . ?
C12 C11 C9 119.6(8) . . ?
C11 C12 H12 119.3 . . ?
C13 C12 C11 121.4(9) . . ?
C13 C12 H12 119.3 . . ?
O4 C13 C12 130.3(9) . . ?
O4 C13 C14 114.5(9) . . ?
C12 C13 C14 115.2(9) . . ?
F4 C14 C13 116.2(9) . . ?
F5 C14 F4 104.8(9) . . ?
F5 C14 C13 109.1(9) . . ?
F6 C14 F4 106.0(9) . . ?
F6 C14 F5 107.9(9) . . ?
F6 C14 C13 112.3(10) . . ?
F7 C15 F8 106.4(8) . . ?
F7 C15 F9 106.2(8) . . ?
F7 C15 C16 112.0(8) . . ?
F8 C15 C16 114.5(9) . . ?
F9 C15 F8 105.3(9) . . ?
F9 C15 C16 111.8(7) . . ?
O5 C16 C15 114.2(9) . . ?
O5 C16 C17 128.0(8) . . ?
C17 C16 C15 117.8(9) . . ?
C16 C17 H17 118.9 . . ?
C16 C17 C18 122.3(8) . . ?
C18 C17 H17 118.9 . . ?
O6 C18 C17 122.8(9) . . ?
O6 C18 C19 118.0(8) . . ?
C17 C18 C19 119.2(9) . . ?
C20 C19 C18 122.1(8) . . ?
C20 C19 C24 118.1(9) . . ?
C24 C19 C18 119.8(8) . . ?
C19 C20 H20 119.3 . . ?
C21 C20 C19 121.4(9) . . ?
C21 C20 H20 119.3 . . ?
C20 C21 H21 120.0 . . ?
C20 C21 C22 119.9(10) . . ?
C22 C21 H21 120.0 . . ?
C21 C22 H22 120.5 . . ?
C23 C22 C21 119.1(10) . . ?
C23 C22 H22 120.5 . . ?
C22 C23 C25 122.3(9) . . ?
C24 C23 C22 119.8(9) . . ?
C24 C23 C25 117.9(9) . . ?
C19 C24 H24 119.2 . . ?
C23 C24 C19 121.7(9) . . ?
C23 C24 H24 119.2 . . ?
O7 C25 C23 117.6(9) . . ?
O7 C25 C26 124.2(10) . . ?
C26 C25 C23 118.2(10) . . ?
C25 C26 H26 119.2 . . ?
C27 C26 C25 121.7(11) . . ?
C27 C26 H26 119.2 . . ?
O8 C27 C26 127.5(11) . . ?
O8 C27 C28 116.9(11) . . ?
C26 C27 C28 115.4(12) . . ?
F10 C28 F11 106.4(12) . . ?
F10 C28 F12 108.3(12) . . ?
F10 C28 C27 118.5(14) . . ?
F11 C28 C27 108.4(12) . . ?
F12 C28 F11 105.3(11) . . ?
F12 C28 C27 109.2(12) . . ?
F12' C28 C27 110.9(12) . . ?
F10' C28 F12' 103.9(11) . . ?
F10' C28 C27 114.6(12) . . ?
F11' C28 F12' 104.9(11) . . ?
F11' C28 F10' 106.6(11) . . ?
F11' C28 C27 115.0(13) . . ?
F13 C29 C30 111.4(8) . . ?
F14 C29 F13 105.3(9) . . ?
F14 C29 F15 106.5(9) . . ?
F14 C29 C30 112.9(8) . . ?
F15 C29 F13 104.1(8) . . ?
F15 C29 C30 115.7(9) . . ?
F13' C29 F14' 106.6(11) . . ?
F13' C29 C30 112.9(12) . . ?
F14' C29 C30 106.2(11) . . ?
F15' C29 F13' 110.3(11) . . ?
F15' C29 F14' 108.8(10) . . ?
F15' C29 C30 111.7(11) . . ?
O9 C30 C29 113.8(8) . . ?
O9 C30 C31 129.1(8) . . ?
C31 C30 C29 117.0(8) . . ?
C30 C31 H31 119.8 . . ?
C30 C31 C32 120.5(8) . . ?
C32 C31 H31 119.8 . . ?
O10 C32 C31 122.8(8) . . ?
O10 C32 C33 116.4(8) . . ?
C31 C32 C33 120.8(8) . . ?
C34 C33 C32 122.8(10) . . ?
C34 C33 C38 118.8(10) . . ?
C38 C33 C32 117.9(9) . . ?
C33 C34 H34 119.8 . . ?
C33 C34 C35 120.4(11) . . ?
C35 C34 H34 119.8 . . ?
C34 C35 H35 120.0 . . ?
C36 C35 C34 120.0(12) . . ?
C36 C35 H35 120.0 . . ?
C35 C36 H36 119.3 . . ?
C35 C36 C37 121.3(12) . . ?
C37 C36 H36 119.3 . . ?
C36 C37 C38 118.3(11) . . ?
C36 C37 C39 125.5(10) . . ?
C38 C37 C39 116.2(10) . . ?
C33 C38 C37 121.1(10) . . ?
C33 C38 H38 119.5 . . ?
C37 C38 H38 119.5 . . ?
O11 C39 C37 118.6(10) . . ?
O11 C39 C40 123.2(11) . . ?
C40 C39 C37 118.0(11) . . ?
C39 C40 H40 119.7 . . ?
C41 C40 C39 120.6(12) . . ?
C41 C40 H40 119.7 . . ?
O12 C41 C40 129.9(12) . . ?
O12 C41 C42 114.1(11) . . ?
C40 C41 C42 115.8(12) . . ?
F16 C42 F17 103.0(10) . . ?
F16 C42 C41 111.4(9) . . ?
F17 C42 C41 115.3(11) . . ?
F18 C42 F16 107.4(10) . . ?
F18 C42 F17 107.5(10) . . ?
F18 C42 C41 111.7(11) . . ?
N1 C43 H43 118.7 . . ?
N1 C43 C44 122.7(9) . . ?
C44 C43 H43 118.7 . . ?
C43 C44 H44 120.6 . . ?
C45 C44 C43 118.8(9) . . ?
C45 C44 H44 120.6 . . ?
C44 C45 H45 119.9 . . ?
C44 C45 C46 120.1(9) . . ?
C46 C45 H45 119.9 . . ?
C45 C46 C47 117.1(9) . . ?
C45 C46 C54 121.7(9) . . ?
C47 C46 C54 121.1(9) . . ?
N1 C47 C46 124.3(9) . . ?
N1 C47 C48 116.4(8) . . ?
C46 C47 C48 119.3(9) . . ?
N2 C48 C47 117.1(8) . . ?
N2 C48 C52 122.3(9) . . ?
C52 C48 C47 120.5(9) . . ?
N2 C49 H49 118.1 . . ?
N2 C49 C50 123.8(9) . . ?
C50 C49 H49 118.1 . . ?
C49 C50 H50 120.5 . . ?
C49 C50 C51 119.1(9) . . ?
C51 C50 H50 120.5 . . ?
C50 C51 H51 120.8 . . ?
C52 C51 C50 118.3(9) . . ?
C52 C51 H51 120.8 . . ?
C48 C52 C53 120.7(9) . . ?
C51 C52 C48 119.0(9) . . ?
C51 C52 C53 120.3(9) . . ?
N4 C53 C52 119.1(10) . . ?
N4 C53 C54 122.4(10) . . ?
C54 C53 C52 118.5(9) . . ?
N3 C54 C46 118.1(10) . . ?
N3 C54 C53 122.2(10) . . ?
C53 C54 C46 119.8(9) . . ?
N3 C55 C56 117.0(13) . . ?
N3 C55 C60 122.6(11) . . ?
C60 C55 C56 120.4(12) . . ?
C55 C56 H56 120.8 . . ?
C57 C56 C55 118.4(14) . . ?
C57 C56 H56 120.8 . . ?
C56 C57 H57 119.6 . . ?
C56 C57 C58 120.8(15) . . ?
C58 C57 H57 119.6 . . ?
C57 C58 H58 118.0 . . ?
C57 C58 C59 124.0(15) . . ?
C59 C58 H58 118.0 . . ?
C58 C59 H59 121.8 . . ?
C58 C59 C60 116.3(14) . . ?
C60 C59 H59 121.8 . . ?
N4 C60 C55 121.4(11) . . ?
N4 C60 C59 118.6(13) . . ?
C55 C60 C59 120.0(13) . . ?
N5 C61 H61 118.5 . . ?
N5 C61 C62 123.0(10) . . ?
C62 C61 H61 118.5 . . ?
C61 C62 H62 120.3 . . ?
C63 C62 C61 119.5(9) . . ?
C63 C62 H62 120.3 . . ?
C62 C63 H63 120.8 . . ?
C62 C63 C64 118.3(9) . . ?
C64 C63 H63 120.8 . . ?
C63 C64 C72 120.6(8) . . ?
C65 C64 C63 118.2(8) . . ?
C65 C64 C72 121.3(8) . . ?
N5 C65 C64 122.6(8) . . ?
N5 C65 C66 117.3(8) . . ?
C64 C65 C66 119.9(8) . . ?
N6 C66 C65 116.3(8) . . ?
N6 C66 C70 123.9(7) . . ?
C70 C66 C65 119.8(8) . . ?
N6 C67 H67 118.5 . . ?
N6 C67 C68 123.0(9) . . ?
C68 C67 H67 118.5 . . ?
C67 C68 H68 120.4 . . ?
C69 C68 C67 119.2(8) . . ?
C69 C68 H68 120.4 . . ?
C68 C69 H69 120.3 . . ?
C68 C69 C70 119.4(8) . . ?
C70 C69 H69 120.3 . . ?
C66 C70 C69 117.4(8) . . ?
C66 C70 C71 120.4(7) . . ?
C69 C70 C71 122.2(8) . . ?
N8 C71 C70 119.3(7) . . ?
N8 C71 C72 121.4(8) . . ?
C72 C71 C70 119.3(8) . . ?
N7 C72 C64 119.6(8) . . ?
N7 C72 C71 121.6(8) . . ?
C71 C72 C64 118.7(8) . . ?
N7 C73 C74 120.6(8) . . ?
N7 C73 C78 118.5(8) . . ?
C78 C73 C74 120.8(8) . . ?
N8 C74 C73 122.5(9) . . ?
N8 C74 C75 119.5(8) . . ?
C75 C74 C73 118.0(8) . . ?
C74 C75 H75 120.0 . . ?
C76 C75 C74 120.1(9) . . ?
C76 C75 H75 120.0 . . ?
C75 C76 H76 119.4 . . ?
C75 C76 C77 121.1(9) . . ?
C77 C76 H76 119.4 . . ?
C76 C77 H77 119.6 . . ?
C76 C77 C78 120.8(9) . . ?
C78 C77 H77 119.6 . . ?
C73 C78 H78 120.4 . . ?
C77 C78 C73 119.2(8) . . ?
C77 C78 H78 120.4 . . ?

_olex2_date_sample_data_collection 2020-12-11
_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 2.059
_oxdiff_exptl_absorpt_empirical_full_min 0.669
####################################################################### 
# 
# 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_11792
_database_code_depnum_ccdc_archive 'CCDC 2203528'
loop_
_audit_author_name
_audit_author_address
'sheng zhang'
;Hainan University
China
;
_audit_update_record             
;
2022-12-07 deposited with the CCDC.	2023-01-02 downloaded from the CCDC.
;
_audit_creation_date             2022-11-22
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C66 H42 Dy2 F18 N4 O12'
_chemical_formula_sum            'C66 H42 Dy2 F18 N4 O12'
_chemical_formula_weight         1750.03
_chemical_melting_point          ?
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'
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'
N N 0.0311 0.0180 '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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   36.8903(11)
_cell_length_b                   13.0524(2)
_cell_length_c                   17.0048(4)
_cell_angle_alpha                90
_cell_angle_beta                 116.872(3)
_cell_angle_gamma                90
_cell_volume                     7303.8(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2416
_cell_measurement_temperature    293.0(2)
_cell_measurement_theta_max      28.146
_cell_measurement_theta_min      2.156
_shelx_estimated_absorpt_T_max   0.493
_shelx_estimated_absorpt_T_min   0.453
_exptl_absorpt_coefficient_mu    11.756
_exptl_absorpt_correction_T_max  0.84230
_exptl_absorpt_correction_T_min  0.5426
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            gray
_exptl_crystal_colour_primary    gray
_exptl_crystal_density_diffrn    1.592
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3424
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0295
_diffrn_reflns_av_unetI/netI     0.0239
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            25083
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.232
_diffrn_reflns_theta_max         67.232
_diffrn_reflns_theta_min         4.270
_diffrn_ambient_temperature      293.0(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_radiation_collimation    ?
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_target            ?
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6049
_reflns_number_total             6558
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_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    'SIR2004 (Burla et al.,  2007)'
_refine_diff_density_max         0.755
_refine_diff_density_min         -0.619
_refine_diff_density_rms         0.081
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     491
_refine_ls_number_reflns         6558
_refine_ls_number_restraints     81
_refine_ls_R_factor_all          0.0338
_refine_ls_R_factor_gt           0.0312
_refine_ls_restrained_S_all      1.042
_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)+(0.0494P)²+12.4872P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0812
_refine_ls_wR_factor_ref         0.0830
_refine_special_details          ?
_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
 F7-C15 \\sim F7A-C15
 with sigma of 0.02
 F8-C15 \\sim F8A-C15
 with sigma of 0.02
 F9-C15 \\sim F9A-C15
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
F1 \\sim F2 \\sim F3 \\sim F4 \\sim F5 \\sim F6 \\sim F7 \\sim F8 \\sim F9
\\sim F7A \\sim F9A \\sim F8A: within 2A with sigma of 0.02 and sigma for
terminal atoms of 0.04
Uanis(F7) \\sim Ueq, Uanis(F9) \\sim Ueq, Uanis(F8) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(F7) \\sim Ueq, Uanis(F8) \\sim Ueq, Uanis(F9) \\sim Ueq, Uanis(C15) \\sim
Ueq, Uanis(F7A) \\sim Ueq, Uanis(F9A) \\sim Ueq, Uanis(F8A) \\sim Ueq: with
sigma of 0.01 and sigma for terminal atoms of 0.02
4. Others
 Sof(F7A)=Sof(F9A)=Sof(F8A)=1-FVAR(1)
 Sof(F7)=Sof(F8)=Sof(F9)=FVAR(1)
5.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C6(H6), C7(H7), C8(H8), C10(H10), C12(H12), C17(H17), C20(H20),
 C21(H21), C22(H22), C23(H23), C24(H24), C26(H26), C29(H29), C31(H31), C32(H32)
5.b Idealised Me refined as rotating group:
 C33(H33A,H33B,H33C), C34(H34A,H34B,H34C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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 0.11254(2) 0.67123(2) 0.26605(2) 0.02534(7) Uani 1 1 d . . . . .
F1 F 0.14850(13) 1.0224(2) 0.2335(3) 0.1092(13) Uani 1 1 d . U . . .
F2 F 0.17597(11) 1.0325(3) 0.3708(3) 0.158(2) Uani 1 1 d . U . . .
F3 F 0.12058(11) 1.1025(2) 0.2938(3) 0.1051(12) Uani 1 1 d . U . . .
F4 F -0.10944(11) 0.8386(3) 0.5427(3) 0.1222(17) Uani 1 1 d . U . . .
F5 F -0.15758(17) 0.8501(5) 0.4230(3) 0.179(3) Uani 1 1 d . U . . .
F6 F -0.14677(17) 0.7156(3) 0.4877(4) 0.160(2) Uani 1 1 d . U . . .
F7 F 0.21069(10) 0.4089(3) 0.3457(5) 0.088(2) Uani 0.785(10) 1 d D U . A 1
F8 F 0.17683(16) 0.2762(4) 0.3373(7) 0.105(3) Uani 0.785(10) 1 d D U . A 1
F9 F 0.1765(2) 0.3373(7) 0.2234(4) 0.126(3) Uani 0.785(10) 1 d D U . A 1
N1 N 0.18878(8) 0.7023(2) 0.34304(17) 0.0324(6) Uani 1 1 d . . . . .
N2 N 0.15022(8) 0.6076(2) 0.42297(17) 0.0350(6) Uani 1 1 d . . . . .
O1 O 0.12498(8) 0.84769(18) 0.26630(19) 0.0454(6) Uani 1 1 d . . . . .
O2 O 0.08106(7) 0.75171(17) 0.34174(16) 0.0378(5) Uani 1 1 d . . . . .
O3 O -0.05108(7) 0.7150(2) 0.34919(15) 0.0413(5) Uani 1 1 d . . . . .
O4 O -0.12396(7) 0.69908(18) 0.35653(15) 0.0358(5) Uani 1 1 d . . . . .
O5 O 0.14278(7) 0.51986(16) 0.25545(15) 0.0345(5) Uani 1 1 d . . . . .
O6 O 0.06836(6) 0.53766(15) 0.25884(15) 0.0321(5) Uani 1 1 d . . . . .
C1 C 0.14241(12) 1.0195(3) 0.3034(3) 0.0505(9) Uani 1 1 d . . . . .
C2 C 0.12103(10) 0.9209(2) 0.3088(2) 0.0361(7) Uani 1 1 d . . . . .
C3 C 0.10111(11) 0.9243(3) 0.3598(3) 0.0466(9) Uani 1 1 d . . . . .
H3 H 0.100314 0.985968 0.386343 0.056 Uiso 1 1 calc R . . . .
C4 C 0.08171(9) 0.8379(2) 0.3738(2) 0.0329(7) Uani 1 1 d . . . . .
C5 C 0.06012(10) 0.8509(3) 0.4291(2) 0.0374(7) Uani 1 1 d . . . . .
C6 C 0.07586(11) 0.9113(3) 0.5048(3) 0.0524(10) Uani 1 1 d . . . . .
H6 H 0.100455 0.945132 0.521779 0.063 Uiso 1 1 calc R . . . .
C7 C 0.05541(12) 0.9213(4) 0.5545(3) 0.0663(14) Uani 1 1 d . . . . .
H7 H 0.066766 0.959615 0.606155 0.080 Uiso 1 1 calc R . . . .
C8 C 0.01827(12) 0.8751(4) 0.5288(3) 0.0584(12) Uani 1 1 d . . . . .
H8 H 0.004381 0.883629 0.562357 0.070 Uiso 1 1 calc R . . . .
C9 C 0.00128(10) 0.8153(3) 0.4520(2) 0.0403(8) Uani 1 1 d . . . . .
C10 C 0.02297(10) 0.8030(3) 0.4038(2) 0.0363(7) Uani 1 1 d . . . . .
H10 H 0.012385 0.761882 0.353714 0.044 Uiso 1 1 calc R . . . .
C11 C -0.04025(10) 0.7703(3) 0.4163(2) 0.0399(8) Uani 1 1 d . . . . .
C12 C -0.06578(12) 0.7918(3) 0.4555(3) 0.0502(10) Uani 1 1 d . . . . .
H12 H -0.055785 0.832394 0.505884 0.060 Uiso 1 1 calc R . . . .
C13 C -0.10475(11) 0.7555(3) 0.4226(2) 0.0388(7) Uani 1 1 d . . . . .
C14 C -0.12959(13) 0.7878(4) 0.4702(3) 0.0556(11) Uani 1 1 d . . . . .
C15 C 0.17561(13) 0.3609(3) 0.2972(3) 0.0573(11) Uani 1 1 d D U . . .
C16 C 0.13920(10) 0.4308(2) 0.2785(2) 0.0369(7) Uani 1 1 d . . . . .
C17 C 0.10729(10) 0.3875(3) 0.2872(3) 0.0433(8) Uani 1 1 d . . . . .
H17 H 0.109507 0.319875 0.306087 0.052 Uiso 1 1 calc R . . . .
C18 C 0.07123(9) 0.4419(2) 0.2686(2) 0.0314(6) Uani 1 1 d . . . . .
C19 C 0.03463(9) 0.3841(2) 0.2593(2) 0.0337(7) Uani 1 1 d . . . . .
C20 C 0.03383(12) 0.2781(3) 0.2579(4) 0.0659(14) Uani 1 1 d . . . . .
H20 H 0.056460 0.242252 0.262375 0.079 Uiso 1 1 calc R . . . .
C21 C 0.000000 0.2245(4) 0.250000 0.089(3) Uani 1 2 d S T P . .
H21 H 0.000000 0.153270 0.250000 0.107 Uiso 1 2 calc RS T P . .
C22 C 0.000000 0.4364(3) 0.250000 0.0304(9) Uani 1 2 d S T P . .
H22 H 0.000000 0.507630 0.250002 0.037 Uiso 1 2 calc RS T P . .
C23 C 0.20700(10) 0.7538(3) 0.3032(2) 0.0372(7) Uani 1 1 d . . . . .
H23 H 0.191266 0.796682 0.256500 0.045 Uiso 1 1 calc R . . . .
C24 C 0.24782(10) 0.7467(3) 0.3276(2) 0.0418(8) Uani 1 1 d . . . . .
H24 H 0.259225 0.784662 0.298093 0.050 Uiso 1 1 calc R . . . .
C25 C 0.27184(11) 0.6829(3) 0.3962(3) 0.0439(8) Uani 1 1 d . . . . .
C26 C 0.25317(10) 0.6313(3) 0.4389(2) 0.0430(8) Uani 1 1 d . . . . .
H26 H 0.268425 0.588328 0.485999 0.052 Uiso 1 1 calc R . . . .
C27 C 0.21194(9) 0.6429(3) 0.4123(2) 0.0322(7) Uani 1 1 d . . . . .
C28 C 0.19078(9) 0.5933(3) 0.4590(2) 0.0331(7) Uani 1 1 d . . . . .
C29 C 0.21146(11) 0.5396(3) 0.5366(2) 0.0411(8) Uani 1 1 d . . . . .
H29 H 0.239336 0.529693 0.559058 0.049 Uiso 1 1 calc R . . . .
C30 C 0.19130(12) 0.5004(3) 0.5811(2) 0.0444(8) Uani 1 1 d . . . . .
C31 C 0.15030(11) 0.5164(3) 0.5455(2) 0.0465(9) Uani 1 1 d . . . . .
H31 H 0.135629 0.491683 0.573875 0.056 Uiso 1 1 calc R . . . .
C32 C 0.13078(11) 0.5699(3) 0.4668(2) 0.0411(8) Uani 1 1 d . . . . .
H32 H 0.102886 0.580124 0.443424 0.049 Uiso 1 1 calc R . . . .
C33 C 0.31650(13) 0.6689(4) 0.4233(4) 0.0723(15) Uani 1 1 d . . . . .
H33A H 0.330844 0.659167 0.485981 0.108 Uiso 1 1 calc GR . . . .
H33B H 0.326820 0.728574 0.407200 0.108 Uiso 1 1 calc GR . . . .
H33C H 0.320269 0.609932 0.394051 0.108 Uiso 1 1 calc GR . . . .
C34 C 0.21375(14) 0.4410(4) 0.6649(3) 0.0678(13) Uani 1 1 d . . . . .
H34A H 0.197252 0.435860 0.695083 0.102 Uiso 1 1 calc GR . . . .
H34B H 0.238671 0.475578 0.701857 0.102 Uiso 1 1 calc GR . . . .
H34C H 0.219689 0.373589 0.651286 0.102 Uiso 1 1 calc GR . . . .
F7A F 0.1914(7) 0.328(2) 0.3796(12) 0.108(7) Uani 0.215(10) 1 d D U . A 2
F9A F 0.2016(5) 0.3978(12) 0.2758(19) 0.080(6) Uani 0.215(10) 1 d D U . A 2
F8A F 0.1654(5) 0.2745(13) 0.2527(17) 0.093(6) Uani 0.215(10) 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 N1 2.541(3) . ?
Dy1 N2 2.528(3) . ?
Dy1 O1 2.348(2) . ?
Dy1 O2 2.337(2) . ?
Dy1 O3 2.300(2) 2 ?
Dy1 O4 2.334(2) 2 ?
Dy1 O5 2.316(2) . ?
Dy1 O6 2.352(2) . ?
F1 C1 1.306(5) . ?
F2 C1 1.262(5) . ?
F3 C1 1.315(5) . ?
F4 C14 1.297(5) . ?
F5 C14 1.273(6) . ?
F6 C14 1.245(5) . ?
F7 C15 1.335(6) . ?
F8 C15 1.288(6) . ?
F9 C15 1.307(7) . ?
N1 C23 1.332(4) . ?
N1 C27 1.345(4) . ?
N2 C28 1.349(4) . ?
N2 C32 1.340(4) . ?
O1 C2 1.245(4) . ?
O2 C4 1.245(4) . ?
O3 C11 1.253(4) . ?
O4 C13 1.261(4) . ?
O5 C16 1.253(4) . ?
O6 C18 1.259(4) . ?
C1 C2 1.534(5) . ?
C2 C3 1.368(5) . ?
C3 C4 1.412(5) . ?
C4 C5 1.491(5) . ?
C5 C6 1.393(5) . ?
C5 C10 1.386(5) . ?
C6 C7 1.370(5) . ?
C7 C8 1.374(6) . ?
C8 C9 1.403(5) . ?
C9 C10 1.390(5) . ?
C9 C11 1.490(5) . ?
C11 C12 1.407(5) . ?
C12 C13 1.370(5) . ?
C13 C14 1.530(5) . ?
C15 C16 1.533(5) . ?
C15 F7A 1.321(16) . ?
C15 F9A 1.264(11) . ?
C15 F8A 1.315(14) . ?
C16 C17 1.372(5) . ?
C17 C18 1.412(4) . ?
C18 C19 1.492(4) . ?
C19 C20 1.383(5) . ?
C19 C22 1.393(4) . ?
C20 C21 1.383(5) . ?
C23 C24 1.372(5) . ?
C24 C25 1.380(5) . ?
C25 C26 1.382(5) . ?
C25 C33 1.508(5) . ?
C26 C27 1.385(5) . ?
C27 C28 1.490(4) . ?
C28 C29 1.379(5) . ?
C29 C30 1.376(5) . ?
C30 C31 1.368(5) . ?
C30 C34 1.500(5) . ?
C31 C32 1.388(5) . ?

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
N2 Dy1 N1 63.64(8) . . ?
O1 Dy1 N1 70.90(9) . . ?
O1 Dy1 N2 107.85(9) . . ?
O1 Dy1 O6 149.04(8) . . ?
O2 Dy1 N1 110.75(8) . . ?
O2 Dy1 N2 74.88(9) . . ?
O2 Dy1 O1 72.75(8) . . ?
O2 Dy1 O6 81.76(7) . . ?
O3 Dy1 N1 146.56(8) 2 . ?
O3 Dy1 N2 147.24(8) 2 . ?
O3 Dy1 O1 82.79(10) 2 . ?
O3 Dy1 O2 79.26(9) 2 . ?
O3 Dy1 O4 72.95(8) 2 2 ?
O3 Dy1 O5 118.01(9) 2 . ?
O3 Dy1 O6 75.33(8) 2 . ?
O4 Dy1 N1 80.26(8) 2 . ?
O4 Dy1 N2 139.36(8) 2 . ?
O4 Dy1 O1 74.62(9) 2 . ?
O4 Dy1 O2 139.21(8) 2 . ?
O4 Dy1 O6 118.00(8) 2 . ?
O5 Dy1 N1 73.52(8) . . ?
O5 Dy1 N2 75.38(8) . . ?
O5 Dy1 O1 137.43(8) . . ?
O5 Dy1 O2 143.44(8) . . ?
O5 Dy1 O4 77.04(8) . 2 ?
O5 Dy1 O6 73.15(7) . . ?
O6 Dy1 N1 136.43(8) . . ?
O6 Dy1 N2 81.31(8) . . ?
C23 N1 Dy1 120.9(2) . . ?
C23 N1 C27 118.0(3) . . ?
C27 N1 Dy1 118.45(19) . . ?
C28 N2 Dy1 119.54(19) . . ?
C32 N2 Dy1 122.1(2) . . ?
C32 N2 C28 117.3(3) . . ?
C2 O1 Dy1 132.8(2) . . ?
C4 O2 Dy1 137.0(2) . . ?
C11 O3 Dy1 134.8(2) . 2 ?
C13 O4 Dy1 129.2(2) . 2 ?
C16 O5 Dy1 130.15(19) . . ?
C18 O6 Dy1 135.57(19) . . ?
F1 C1 F3 102.2(4) . . ?
F1 C1 C2 112.5(3) . . ?
F2 C1 F1 108.8(4) . . ?
F2 C1 F3 107.3(4) . . ?
F2 C1 C2 112.2(3) . . ?
F3 C1 C2 113.3(3) . . ?
O1 C2 C1 114.3(3) . . ?
O1 C2 C3 129.1(3) . . ?
C3 C2 C1 116.7(3) . . ?
C2 C3 C4 122.6(3) . . ?
O2 C4 C3 123.9(3) . . ?
O2 C4 C5 118.0(3) . . ?
C3 C4 C5 118.1(3) . . ?
C6 C5 C4 122.0(3) . . ?
C10 C5 C4 119.2(3) . . ?
C10 C5 C6 118.8(3) . . ?
C7 C6 C5 120.6(3) . . ?
C6 C7 C8 120.7(3) . . ?
C7 C8 C9 120.1(3) . . ?
C8 C9 C11 122.9(3) . . ?
C10 C9 C8 118.6(3) . . ?
C10 C9 C11 118.3(3) . . ?
C5 C10 C9 121.1(3) . . ?
O3 C11 C9 116.4(3) . . ?
O3 C11 C12 122.7(3) . . ?
C12 C11 C9 120.9(3) . . ?
C13 C12 C11 122.8(3) . . ?
O4 C13 C12 129.0(3) . . ?
O4 C13 C14 113.8(3) . . ?
C12 C13 C14 117.2(3) . . ?
F4 C14 C13 114.8(3) . . ?
F5 C14 F4 103.1(5) . . ?
F5 C14 C13 110.5(4) . . ?
F6 C14 F4 107.2(4) . . ?
F6 C14 F5 106.2(5) . . ?
F6 C14 C13 114.2(4) . . ?
F7 C15 C16 111.3(4) . . ?
F8 C15 F7 106.5(5) . . ?
F8 C15 F9 107.3(6) . . ?
F8 C15 C16 116.0(4) . . ?
F9 C15 F7 105.3(5) . . ?
F9 C15 C16 109.9(4) . . ?
F7A C15 C16 109.7(9) . . ?
F9A C15 C16 114.8(7) . . ?
F9A C15 F7A 113.6(14) . . ?
F9A C15 F8A 102.5(13) . . ?
F8A C15 C16 113.3(8) . . ?
F8A C15 F7A 102.0(14) . . ?
O5 C16 C15 114.2(3) . . ?
O5 C16 C17 129.2(3) . . ?
C17 C16 C15 116.5(3) . . ?
C16 C17 C18 122.4(3) . . ?
O6 C18 C17 122.9(3) . . ?
O6 C18 C19 118.0(3) . . ?
C17 C18 C19 119.0(3) . . ?
C20 C19 C18 121.3(3) . . ?
C20 C19 C22 118.5(3) . . ?
C22 C19 C18 120.3(3) . . ?
C21 C20 C19 121.2(4) . . ?
C20 C21 C20 119.2(5) 2 . ?
C19 C22 C19 121.3(4) . 2 ?
N1 C23 C24 123.3(3) . . ?
C23 C24 C25 119.6(3) . . ?
C24 C25 C26 117.2(3) . . ?
C24 C25 C33 121.8(4) . . ?
C26 C25 C33 121.0(4) . . ?
C25 C26 C27 120.7(3) . . ?
N1 C27 C26 121.2(3) . . ?
N1 C27 C28 116.1(3) . . ?
C26 C27 C28 122.7(3) . . ?
N2 C28 C27 116.0(3) . . ?
N2 C28 C29 121.7(3) . . ?
C29 C28 C27 122.3(3) . . ?
C30 C29 C28 120.8(3) . . ?
C29 C30 C34 120.7(4) . . ?
C31 C30 C29 117.7(3) . . ?
C31 C30 C34 121.6(3) . . ?
C30 C31 C32 119.4(3) . . ?
N2 C32 C31 123.1(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
;
####################################################################### 
# 
# 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_exp_11654
_database_code_depnum_ccdc_archive 'CCDC 2203526'
loop_
_audit_author_name
_audit_author_address
'sheng zhang'
;Hainan University
China
;
_audit_update_record             
;
2022-12-07 deposited with the CCDC.	2023-01-02 downloaded from the CCDC.
;
_audit_creation_date             2022-11-22
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C90 H50 Dy2 F18 N4 O12'
_chemical_formula_sum            'C90 H50 Dy2 F18 N4 O12'
_chemical_formula_weight         2046.34
_chemical_melting_point          ?
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'
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'
N N 0.0311 0.0180 '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                   10.0834(6)
_cell_length_b                   21.4549(11)
_cell_length_c                   45.363(2)
_cell_angle_alpha                90
_cell_angle_beta                 93.385(5)
_cell_angle_gamma                90
_cell_volume                     9796.7(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3781
_cell_measurement_temperature    293.0(2)
_cell_measurement_theta_max      69.6340
_cell_measurement_theta_min      3.8780
_shelx_estimated_absorpt_T_max   0.576
_shelx_estimated_absorpt_T_min   0.538
_exptl_absorpt_coefficient_mu    8.853
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.48275
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            gray
_exptl_crystal_colour_primary    gray
_exptl_crystal_density_diffrn    1.387
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4032
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0849
_diffrn_reflns_av_unetI/netI     0.1211
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       54
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            36581
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        67.248
_diffrn_reflns_theta_max         67.247
_diffrn_reflns_theta_min         3.905
_diffrn_ambient_temperature      293.0(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.1281
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      0.00  27.00   1.00   20.50    --    0.00   0.00  60.00   27
  2  ω    -72.00 -30.00   1.00   20.50    --    0.00   0.00  60.00   42
  3  ω     33.00  61.00   1.00   20.50    --    0.00   0.00  60.00   28
  4  ω    -77.00 -52.00   1.00   20.50    --    0.00 178.00 -90.00   25
  5  ω     40.00  74.00   1.00   82.50    --   54.63-125.00 150.00   34
  6  ω     29.00 118.00   1.00   82.50    --   54.63  77.00 -60.00   89
  7  ω    -14.00  82.00   1.00   82.50    --   54.63 -77.00-180.00   96
  8  ω     53.00 100.00   1.00   82.50    --   54.63  57.00  60.00   47
  9  ω     56.00 130.00   1.00   82.50    --  109.26 -50.00 -60.00   74
 10  ω    108.00 134.00   1.00   82.50    --  109.26 -37.00-150.00   26
 11  ω     87.00 158.00   1.00   82.50    --  109.26  77.00   0.00   71
 12  ω    113.00 139.00   1.00   82.50    --  109.26 111.00-150.00   26
 13  ω     41.00  91.00   1.00   82.50    --  109.26 -37.00-150.00   50
 14  ω     83.00 111.00   1.00   82.50    --  109.26-111.00-120.00   28
 15  ω    107.00 178.00   1.00   82.50    --  109.26  89.00 -40.00   71
 16  ω     67.00 128.00   1.00   82.50    --  109.26 178.00 -30.00   61
 17  ω     81.00 127.00   1.00   82.50    --  109.26 -63.00-150.00   46
 18  ω     94.00 169.00   1.00   82.50    --  109.26  50.00  60.00   75
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1374224000
_diffrn_orient_matrix_UB_12      -0.0085649000
_diffrn_orient_matrix_UB_13      -0.0161968000
_diffrn_orient_matrix_UB_21      0.0423133000
_diffrn_orient_matrix_UB_22      -0.0647737000
_diffrn_orient_matrix_UB_23      -0.0107021000
_diffrn_orient_matrix_UB_31      -0.0524076000
_diffrn_orient_matrix_UB_32      -0.0298315000
_diffrn_orient_matrix_UB_33      0.0279278000
_diffrn_radiation_collimation    ?
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_target            ?
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9019
_reflns_number_total             17502
_reflns_odcompleteness_completeness 99.71
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_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    'SIR2004 (Burla et al.,  2007)'
_refine_diff_density_max         0.545
_refine_diff_density_min         -0.757
_refine_diff_density_rms         0.077
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.969
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1242
_refine_ls_number_reflns         17502
_refine_ls_number_restraints     4473
_refine_ls_R_factor_all          0.1359
_refine_ls_R_factor_gt           0.0657
_refine_ls_restrained_S_all      0.951
_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)+(0.0649P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1419
_refine_ls_wR_factor_ref         0.1805
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 C85-C87 = C87-C89 = C89-C85 = C86-C88 = C88-C90 = C90-C86
 2.37 with sigma of 0.01
 C85-C86 = C86-C87 = C87-C88 = C88-C89 = C85-C90 = C89-C90
 1.38 with sigma of 0.01
 F13-F14 = F14-F15 = F15-F13 = F16-F17 = F17-F18 = F18-F16
 2.1 with sigma of 0.01
 F7-F8 = F8-F9 = F9-F7 = F10-F11 = F11-F12 = F12-F10
 2.1 with sigma of 0.01
 F1-F2 = F2-F3 = F3-F1 = F4-F5 = F5-F6 = F6-F4
 2.1 with sigma of 0.01
 C29-F13 = C29-F14 = C29-F15 = C42-F16 = C42-F17 = C42-F18
 1.32 with sigma of 0.01
 C15-F7 = C15-F8 = C15-F9 = C28-F10 = C28-F11 = C28-F12
 1.32 with sigma of 0.01
 C1-F1 = C1-F2 = C1-F3 = C14-F4 = C14-F5 = C14-F6
 1.32 with sigma of 0.01
 C1-C2 = C13-C14 = C15-C16 = C27-C28 = C29-C30 = C41-C42
 1.54 with sigma of 0.01
 C28-F11' = C28-F12' = C1-F1' = C1-F2' = C1-F3' = C28-F10'
 1.32 with sigma of 0.01
 C29-F13' = C29-F14' = C29-F15' = C42-F16' = C42-F17' = C42-F18'
 1.32 with sigma of 0.01
 F1'-F2' = F2'-F3' = F3'-F1' = F10'-F11' = F11'-F12' = F12'-F10'
 2.1 with sigma of 0.01
 F13'-F14' = F14'-F15' = F15'-F13' = F16'-F17' = F17'-F18' = F18'-F16'
 2.1 with sigma of 0.01
3. Restrained planarity
 C85, C86, C87, C88, C89, C90
 with sigma of 0.01
4. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 3.8A with sigma of 0.02 and sigma
for terminal atoms of 0.04
5. Others
 Sof(F10')=Sof(F11')=Sof(F12')=1-FVAR(1)
 Sof(F10)=Sof(F11)=Sof(F12)=FVAR(1)
 Sof(F13')=Sof(F14')=Sof(F15')=1-FVAR(2)
 Sof(F13)=Sof(F14)=Sof(F15)=FVAR(2)
 Sof(F16')=Sof(F17')=Sof(F18')=1-FVAR(3)
 Sof(F16)=Sof(F17)=Sof(F18)=FVAR(3)
 Sof(F2')=Sof(F1')=Sof(F3')=1-FVAR(4)
 Sof(F1)=Sof(F2)=Sof(F3)=FVAR(4)
6.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C6(H6), C7(H7), C8(H8), C10(H10), C12(H12), C17(H17), C20(H20),
 C21(H21), C22(H22), C24(H24), C26(H26), C31(H31), C34(H34), C35(H35), C36(H36),
  C38(H38), C40(H40), C43(H43), C44(H44), C45(H45), C46(H46), C47(H47),
 C50(H50), C51(H51), C54(H54), C55(H55), C58(H58), C59(H59), C62(H62), C63(H63),
  C64(H64), C65(H65), C66(H66), C67(H67), C68(H68), C69(H69), C70(H70),
 C71(H71), C74(H74), C75(H75), C78(H78), C79(H79), C82(H82), C83(H83), C86(H86),
  C87(H87), C88(H88), C89(H89), C90(H90)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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 0.37016(5) 0.58103(2) 0.18782(2) 0.05495(15) Uani 1 1 d . U . . .
Dy2 Dy 0.11211(5) 0.29339(2) 0.08404(2) 0.06070(16) Uani 1 1 d . U . . .
F4 F -0.2911(9) 0.3911(4) 0.0047(2) 0.198(4) Uani 1 1 d D U . . .
F5 F -0.2105(8) 0.3026(4) -0.00050(17) 0.173(4) Uani 1 1 d D U . . .
F6 F -0.3442(8) 0.3178(5) 0.03203(17) 0.191(4) Uani 1 1 d D U . . .
F7 F 0.7488(7) 0.7042(3) 0.15464(14) 0.142(3) Uani 1 1 d D U . . .
F8 F 0.6059(7) 0.7200(3) 0.12017(16) 0.137(3) Uani 1 1 d D U . . .
F9 F 0.7716(7) 0.6628(3) 0.11347(15) 0.132(3) Uani 1 1 d D U . . .
F1 F 0.0760(15) 0.7665(5) 0.1992(3) 0.152(4) Uani 0.755(16) 1 d D U P A 1
F2 F 0.2513(8) 0.8026(4) 0.1829(4) 0.127(4) Uani 0.755(16) 1 d D U P A 1
F3 F 0.0756(14) 0.7989(5) 0.1550(2) 0.133(4) Uani 0.755(16) 1 d D U P A 1
F10 F 0.3510(19) 0.0922(6) 0.0955(3) 0.151(5) Uani 0.593(10) 1 d D U P B 1
F11 F 0.4896(10) 0.1142(6) 0.1309(4) 0.153(5) Uani 0.593(10) 1 d D U P B 1
F12 F 0.2848(13) 0.1135(7) 0.1378(3) 0.150(5) Uani 0.593(10) 1 d D U P B 1
F13 F 0.1652(12) 0.6355(4) 0.28190(19) 0.127(4) Uani 0.755(9) 1 d D U P C 1
F14 F 0.3463(8) 0.5932(6) 0.29422(19) 0.119(3) Uani 0.755(9) 1 d D U P C 1
F15 F 0.1657(13) 0.5454(4) 0.30076(19) 0.122(4) Uani 0.755(9) 1 d D U P C 1
F16 F -0.0852(14) 0.1014(6) 0.1436(4) 0.127(5) Uani 0.511(10) 1 d D U P D 1
F17 F -0.1766(18) 0.1196(7) 0.1015(2) 0.126(5) Uani 0.511(10) 1 d D U P D 1
F18 F -0.2562(11) 0.1567(6) 0.1398(4) 0.112(4) Uani 0.511(10) 1 d D U P D 1
F2' F 0.159(4) 0.7853(15) 0.2030(3) 0.117(7) Uani 0.245(16) 1 d D U P A 2
F1' F 0.230(3) 0.8022(12) 0.1610(8) 0.130(7) Uani 0.245(16) 1 d D U P A 2
F3' F 0.0263(18) 0.7834(16) 0.1654(8) 0.113(7) Uani 0.245(16) 1 d D U P A 2
F10' F 0.422(2) 0.1276(11) 0.1464(3) 0.153(6) Uiso 0.407(10) 1 d D U P B 2
F11' F 0.473(2) 0.1079(9) 0.1029(5) 0.143(6) Uani 0.407(10) 1 d D U P B 2
F12' F 0.2795(16) 0.0888(8) 0.1153(6) 0.141(6) Uani 0.407(10) 1 d D U P B 2
F13' F 0.0967(12) 0.5836(15) 0.2857(6) 0.110(6) Uani 0.245(9) 1 d D U P C 2
F14' F 0.274(3) 0.5425(10) 0.3030(5) 0.111(6) Uani 0.245(9) 1 d D U P C 2
F15' F 0.273(3) 0.6361(8) 0.2895(6) 0.107(6) Uani 0.245(9) 1 d D U P C 2
F16' F -0.182(2) 0.1237(8) 0.1511(2) 0.134(5) Uani 0.489(10) 1 d D U P D 2
F17' F -0.2497(13) 0.1542(7) 0.1084(4) 0.125(5) Uani 0.489(10) 1 d D U P D 2
F18' F -0.0755(14) 0.1006(6) 0.1141(4) 0.123(5) Uani 0.489(10) 1 d D U P D 2
N1 N 0.5389(7) 0.6467(3) 0.21752(14) 0.0565(15) Uani 1 1 d . U . . .
N2 N 0.5265(7) 0.5220(3) 0.22478(15) 0.0606(16) Uani 1 1 d . U . . .
N3 N 0.1069(9) 0.2192(4) 0.04028(19) 0.091(2) Uani 1 1 d . U . . .
N4 N 0.2217(7) 0.3303(4) 0.03825(15) 0.0678(17) Uani 1 1 d . U . . .
O1 O 0.2666(6) 0.6770(3) 0.18544(13) 0.0713(15) Uani 1 1 d . U . . .
O2 O 0.2194(6) 0.5769(3) 0.14735(12) 0.0635(14) Uani 1 1 d . U . . .
O3 O 0.0697(6) 0.4016(3) 0.08368(11) 0.0614(14) Uani 1 1 d . U . . .
O4 O -0.0805(7) 0.3110(3) 0.05434(14) 0.0841(17) Uani 1 1 d . U . . .
O5 O 0.5010(6) 0.6365(3) 0.15608(13) 0.0690(15) Uani 1 1 d . U . . .
O6 O 0.4790(6) 0.5097(2) 0.15974(12) 0.0585(13) Uani 1 1 d . U . . .
O7 O 0.3233(6) 0.3261(3) 0.09877(12) 0.0630(14) Uani 1 1 d . U . . .
O8 O 0.2319(7) 0.2066(3) 0.09890(15) 0.0854(17) Uani 1 1 d . U . . .
O9 O 0.2817(6) 0.5932(3) 0.23389(13) 0.0714(15) Uani 1 1 d . U . . .
O10 O 0.2448(6) 0.4912(3) 0.19634(12) 0.0608(14) Uani 1 1 d . U . . .
O11 O 0.0944(6) 0.3155(3) 0.13389(12) 0.0626(14) Uani 1 1 d . U . . .
O12 O -0.0431(6) 0.2247(3) 0.10075(14) 0.0772(16) Uani 1 1 d . U . . .
C1 C 0.1468(9) 0.7676(4) 0.1754(2) 0.104(3) Uani 1 1 d D U . . .
C2 C 0.1834(10) 0.7007(4) 0.1670(2) 0.076(2) Uani 1 1 d D U . . .
C3 C 0.1262(10) 0.6766(5) 0.1413(2) 0.081(2) Uani 1 1 d . U . . .
H3 H 0.070404 0.701745 0.129346 0.097 Uiso 1 1 calc R . . . .
C4 C 0.1494(9) 0.6150(4) 0.1325(2) 0.066(2) Uani 1 1 d . U . . .
C5 C 0.0916(9) 0.5922(4) 0.1031(2) 0.065(2) Uani 1 1 d . U . . .
C6 C 0.0582(10) 0.6344(5) 0.0804(2) 0.078(2) Uani 1 1 d . U . . .
H6 H 0.066848 0.677140 0.083421 0.094 Uiso 1 1 calc R . . . .
C7 C 0.0123(10) 0.6115(5) 0.0534(2) 0.082(3) Uani 1 1 d . U . . .
H7 H -0.007712 0.639179 0.038017 0.099 Uiso 1 1 calc R . . . .
C8 C -0.0047(10) 0.5496(5) 0.0487(2) 0.077(2) Uani 1 1 d . U . . .
H8 H -0.036403 0.535433 0.030199 0.093 Uiso 1 1 calc R . . . .
C9 C 0.0252(9) 0.5067(4) 0.07142(18) 0.063(2) Uani 1 1 d . U . . .
C10 C 0.0755(8) 0.5291(4) 0.09820(19) 0.0618(19) Uani 1 1 d . U . . .
H10 H 0.099175 0.501211 0.113293 0.074 Uiso 1 1 calc R . . . .
C11 C 0.0034(9) 0.4389(4) 0.0668(2) 0.068(2) Uani 1 1 d . U . . .
C12 C -0.0934(10) 0.4195(5) 0.0453(2) 0.085(2) Uani 1 1 d . U . . .
H12 H -0.136638 0.449233 0.033330 0.102 Uiso 1 1 calc R . . . .
C13 C -0.1266(10) 0.3571(6) 0.0414(2) 0.081(2) Uani 1 1 d D U . . .
C14 C -0.2446(10) 0.3427(5) 0.0193(2) 0.117(4) Uani 1 1 d D U . . .
C15 C 0.6823(9) 0.6769(4) 0.13242(19) 0.084(3) Uani 1 1 d D U . . .
C16 C 0.6043(9) 0.6209(4) 0.14342(19) 0.066(2) Uani 1 1 d D U . . .
C17 C 0.6504(10) 0.5630(4) 0.13752(19) 0.068(2) Uani 1 1 d . U . . .
H17 H 0.730897 0.558873 0.128710 0.081 Uiso 1 1 calc R . . . .
C18 C 0.5794(8) 0.5098(4) 0.14439(17) 0.0541(18) Uani 1 1 d . U . . .
C19 C 0.6169(8) 0.4479(4) 0.13195(17) 0.0533(18) Uani 1 1 d . U . . .
C20 C 0.7468(9) 0.4322(4) 0.12713(19) 0.067(2) Uani 1 1 d . U . . .
H20 H 0.814406 0.461103 0.130971 0.080 Uiso 1 1 calc R . . . .
C21 C 0.7756(9) 0.3747(4) 0.1168(2) 0.070(2) Uani 1 1 d . U . . .
H21 H 0.863456 0.364172 0.113985 0.084 Uiso 1 1 calc R . . . .
C22 C 0.6758(9) 0.3315(4) 0.1103(2) 0.069(2) Uani 1 1 d . U . . .
H22 H 0.697553 0.292021 0.103710 0.083 Uiso 1 1 calc R . . . .
C23 C 0.5445(9) 0.3466(4) 0.11364(18) 0.0575(19) Uani 1 1 d . U . . .
C24 C 0.5160(8) 0.4061(4) 0.12475(17) 0.0551(18) Uani 1 1 d . U . . .
H24 H 0.428303 0.417374 0.127251 0.066 Uiso 1 1 calc R . . . .
C25 C 0.4326(10) 0.3034(4) 0.1077(2) 0.065(2) Uani 1 1 d . U . . .
C26 C 0.4485(11) 0.2399(5) 0.1134(2) 0.087(2) Uani 1 1 d . U . . .
H26 H 0.531806 0.225539 0.120133 0.105 Uiso 1 1 calc R . . . .
C27 C 0.3468(12) 0.1976(4) 0.1094(3) 0.093(3) Uani 1 1 d D U . . .
C28 C 0.3742(10) 0.1294(4) 0.1184(2) 0.133(4) Uani 1 1 d D U . . .
C29 C 0.2262(9) 0.5812(4) 0.28234(17) 0.094(3) Uani 1 1 d D U . . .
C30 C 0.2365(10) 0.5538(4) 0.25139(18) 0.069(2) Uani 1 1 d D U . . .
C31 C 0.1980(9) 0.4946(4) 0.24661(19) 0.072(2) Uani 1 1 d . U . . .
H31 H 0.165187 0.472354 0.262200 0.086 Uiso 1 1 calc R . . . .
C32 C 0.2048(9) 0.4643(4) 0.21898(19) 0.0616(19) Uani 1 1 d . U . . .
C33 C 0.1696(8) 0.3975(4) 0.21595(18) 0.0573(18) Uani 1 1 d . U . . .
C34 C 0.1759(9) 0.3572(4) 0.24060(19) 0.067(2) Uani 1 1 d . U . . .
H34 H 0.199688 0.373127 0.259246 0.080 Uiso 1 1 calc R . . . .
C35 C 0.1474(9) 0.2951(4) 0.2374(2) 0.071(2) Uani 1 1 d . U . . .
H35 H 0.156618 0.268901 0.253730 0.085 Uiso 1 1 calc R . . . .
C36 C 0.1054(9) 0.2712(4) 0.21046(19) 0.065(2) Uani 1 1 d . U . . .
H36 H 0.081184 0.229497 0.208773 0.078 Uiso 1 1 calc R . . . .
C37 C 0.0991(9) 0.3090(4) 0.18585(19) 0.0598(19) Uani 1 1 d . U . . .
C38 C 0.1335(8) 0.3722(4) 0.18863(18) 0.0560(18) Uani 1 1 d . U . . .
H38 H 0.131925 0.397291 0.171905 0.067 Uiso 1 1 calc R . . . .
C39 C 0.0613(9) 0.2838(4) 0.15586(19) 0.0625(19) Uani 1 1 d . U . . .
C40 C -0.0140(9) 0.2287(4) 0.1528(2) 0.074(2) Uani 1 1 d . U . . .
H40 H -0.033427 0.207119 0.169840 0.089 Uiso 1 1 calc R . . . .
C41 C -0.0602(9) 0.2054(4) 0.1261(2) 0.074(2) Uani 1 1 d D U . . .
C42 C -0.1433(9) 0.1457(4) 0.12661(19) 0.096(3) Uani 1 1 d D U . . .
C43 C 0.8884(11) 0.4255(5) 0.2940(3) 0.095(3) Uani 1 1 d . U . . .
H43 H 0.930746 0.448447 0.279889 0.114 Uiso 1 1 calc R . . . .
C44 C 0.9648(13) 0.3930(5) 0.3149(3) 0.109(3) Uani 1 1 d . U . . .
H44 H 1.056909 0.393573 0.314517 0.131 Uiso 1 1 calc R . . . .
C45 C 0.9060(13) 0.3606(6) 0.3358(3) 0.115(3) Uani 1 1 d . U . . .
H45 H 0.956964 0.338961 0.350133 0.138 Uiso 1 1 calc R . . . .
C46 C 0.7719(14) 0.3596(6) 0.3357(3) 0.119(3) Uani 1 1 d . U . . .
H46 H 0.731506 0.337788 0.350434 0.143 Uiso 1 1 calc R . . . .
C47 C 0.6906(12) 0.3912(5) 0.3136(3) 0.102(3) Uani 1 1 d . U . . .
H47 H 0.598400 0.388752 0.313286 0.123 Uiso 1 1 calc R . . . .
C48 C 0.7526(11) 0.4252(5) 0.2931(2) 0.084(2) Uani 1 1 d . U . . .
C49 C 0.6709(10) 0.4597(4) 0.2703(2) 0.072(2) Uani 1 1 d . U . . .
C50 C 0.5889(10) 0.4284(4) 0.2505(2) 0.078(2) Uani 1 1 d . U . . .
H50 H 0.580159 0.385359 0.251959 0.093 Uiso 1 1 calc R . . . .
C51 C 0.5189(9) 0.4602(4) 0.2282(2) 0.0677(19) Uani 1 1 d . U . . .
H51 H 0.463847 0.437612 0.214946 0.081 Uiso 1 1 calc R . . . .
C52 C 0.6073(9) 0.5541(4) 0.24466(19) 0.0611(18) Uani 1 1 d . U . . .
C53 C 0.6149(9) 0.6204(4) 0.24056(18) 0.0566(17) Uani 1 1 d . U . . .
C54 C 0.5537(9) 0.7063(4) 0.21340(19) 0.0633(19) Uani 1 1 d . U . . .
H54 H 0.503435 0.724704 0.197896 0.076 Uiso 1 1 calc R . . . .
C55 C 0.6395(9) 0.7448(4) 0.23053(19) 0.064(2) Uani 1 1 d . U . . .
H55 H 0.645599 0.787093 0.226333 0.077 Uiso 1 1 calc R . . . .
C56 C 0.7141(9) 0.7193(4) 0.25344(19) 0.0633(19) Uani 1 1 d . U . . .
C57 C 0.6995(9) 0.6551(4) 0.25936(19) 0.0621(19) Uani 1 1 d . U . . .
C58 C 0.7669(9) 0.6243(4) 0.28405(19) 0.069(2) Uani 1 1 d . U . . .
H58 H 0.817069 0.647846 0.297816 0.083 Uiso 1 1 calc R . . . .
C59 C 0.7595(9) 0.5626(4) 0.2878(2) 0.072(2) Uani 1 1 d . U . . .
H59 H 0.807294 0.544143 0.303639 0.087 Uiso 1 1 calc R . . . .
C60 C 0.6800(9) 0.5246(4) 0.2681(2) 0.066(2) Uani 1 1 d . U . . .
C61 C 0.8079(9) 0.7573(4) 0.2724(2) 0.066(2) Uani 1 1 d . U . . .
C62 C 0.7636(10) 0.8050(4) 0.2896(2) 0.076(2) Uani 1 1 d . U . . .
H62 H 0.674312 0.816150 0.288478 0.092 Uiso 1 1 calc R . . . .
C63 C 0.8537(11) 0.8365(5) 0.3088(2) 0.087(3) Uani 1 1 d . U . . .
H63 H 0.823336 0.867929 0.320749 0.104 Uiso 1 1 calc R . . . .
C64 C 0.9846(11) 0.8221(5) 0.3102(2) 0.082(3) Uani 1 1 d . U . . .
H64 H 1.043370 0.843057 0.323333 0.098 Uiso 1 1 calc R . . . .
C65 C 1.0286(11) 0.7777(5) 0.2928(2) 0.085(3) Uani 1 1 d . U . . .
H65 H 1.118860 0.768438 0.293521 0.103 Uiso 1 1 calc R . . . .
C66 C 0.9428(10) 0.7453(5) 0.2738(2) 0.080(2) Uani 1 1 d . U . . .
H66 H 0.976040 0.714834 0.261642 0.096 Uiso 1 1 calc R . . . .
C67 C 0.5075(11) 0.3609(6) -0.0512(2) 0.094(3) Uani 1 1 d . U . . .
H67 H 0.516405 0.318856 -0.046520 0.113 Uiso 1 1 calc R . . . .
C68 C 0.5830(11) 0.3870(7) -0.0726(2) 0.100(3) Uani 1 1 d . U . . .
H68 H 0.640288 0.361736 -0.082644 0.120 Uiso 1 1 calc R . . . .
C69 C 0.5749(12) 0.4483(7) -0.0792(2) 0.100(3) Uani 1 1 d . U . . .
H69 H 0.629502 0.465451 -0.092851 0.120 Uiso 1 1 calc R . . . .
C70 C 0.4873(12) 0.4844(6) -0.0658(2) 0.097(3) Uani 1 1 d . U . . .
H70 H 0.479048 0.526233 -0.070957 0.116 Uiso 1 1 calc R . . . .
C71 C 0.4091(11) 0.4599(6) -0.0444(2) 0.088(3) Uani 1 1 d . U . . .
H71 H 0.350078 0.485795 -0.035183 0.105 Uiso 1 1 calc R . . . .
C72 C 0.4177(10) 0.3980(6) -0.0366(2) 0.079(2) Uani 1 1 d . U . . .
C73 C 0.3434(10) 0.3719(5) -0.01225(19) 0.075(2) Uani 1 1 d . U . . .
C74 C 0.3460(10) 0.4073(5) 0.01357(19) 0.078(2) Uani 1 1 d . U . . .
H74 H 0.388759 0.445732 0.014738 0.093 Uiso 1 1 calc R . . . .
C75 C 0.2818(9) 0.3831(5) 0.03780(19) 0.074(2) Uani 1 1 d . U . . .
H75 H 0.282884 0.407254 0.054842 0.089 Uiso 1 1 calc R . . . .
C76 C 0.2168(10) 0.2959(5) 0.0134(2) 0.078(2) Uani 1 1 d . U . . .
C77 C 0.1502(11) 0.2372(5) 0.0140(2) 0.087(2) Uani 1 1 d . U . . .
C78 C 0.0420(13) 0.1645(6) 0.0418(3) 0.110(3) Uani 1 1 d . U . . .
H78 H 0.010367 0.151854 0.059724 0.132 Uiso 1 1 calc R . . . .
C79 C 0.0214(15) 0.1261(6) 0.0167(3) 0.138(3) Uani 1 1 d . U . . .
H79 H -0.025112 0.088933 0.018095 0.166 Uiso 1 1 calc R . . . .
C80 C 0.0692(16) 0.1433(7) -0.0095(3) 0.139(3) Uani 1 1 d . U . . .
C81 C 0.1317(14) 0.2012(6) -0.0117(3) 0.111(3) Uani 1 1 d . U . . .
C82 C 0.1872(13) 0.2245(6) -0.0375(3) 0.111(3) Uani 1 1 d . U . . .
H82 H 0.175440 0.201294 -0.054760 0.133 Uiso 1 1 calc R . . . .
C83 C 0.2544(11) 0.2771(5) -0.0385(2) 0.091(2) Uani 1 1 d . U . . .
H83 H 0.289321 0.289416 -0.056101 0.109 Uiso 1 1 calc R . . . .
C84 C 0.2743(10) 0.3156(5) -0.0127(2) 0.077(2) Uani 1 1 d . U . . .
C85 C 0.0412(15) 0.0978(5) -0.0347(2) 0.168(4) Uani 1 1 d D U . . .
C86 C 0.1431(12) 0.0649(6) -0.0451(3) 0.185(4) Uani 1 1 d D U . . .
H86 H 0.228217 0.068918 -0.036215 0.222 Uiso 1 1 calc R . . . .
C87 C 0.1205(14) 0.0251(6) -0.0690(3) 0.208(4) Uani 1 1 d D U . . .
H87 H 0.189908 0.002266 -0.076186 0.250 Uiso 1 1 calc R . . . .
C88 C -0.0046(16) 0.0200(6) -0.0817(2) 0.218(5) Uani 1 1 d D U . . .
H88 H -0.019656 -0.006430 -0.097824 0.262 Uiso 1 1 calc R . . . .
C89 C -0.1082(13) 0.0525(7) -0.0715(3) 0.226(5) Uani 1 1 d D U . . .
H89 H -0.193192 0.048292 -0.080431 0.271 Uiso 1 1 calc R . . . .
C90 C -0.0842(13) 0.0924(6) -0.0473(3) 0.207(4) Uani 1 1 d D U . . .
H90 H -0.153510 0.115126 -0.039953 0.249 Uiso 1 1 calc R . . . .


_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 N1 2.534(6) . ?
Dy1 N2 2.567(7) . ?
Dy1 O1 2.308(6) . ?
Dy1 O2 2.315(6) . ?
Dy1 O5 2.336(6) . ?
Dy1 O6 2.310(5) . ?
Dy1 O9 2.335(6) . ?
Dy1 O10 2.350(6) . ?
Dy2 N3 2.543(8) . ?
Dy2 N4 2.537(7) . ?
Dy2 O3 2.361(6) . ?
Dy2 O4 2.328(7) . ?
Dy2 O7 2.303(6) . ?
Dy2 O8 2.298(7) . ?
Dy2 O11 2.327(5) . ?
Dy2 O12 2.311(6) . ?
F4 C14 1.304(8) . ?
F5 C14 1.304(8) . ?
F6 C14 1.302(8) . ?
F7 C15 1.315(7) . ?
F8 C15 1.306(8) . ?
F9 C15 1.316(7) . ?
F1 C1 1.327(8) . ?
F2 C1 1.322(8) . ?
F3 C1 1.320(8) . ?
F10 C28 1.321(9) . ?
F11 C28 1.304(8) . ?
F12 C28 1.339(9) . ?
F13 C29 1.317(8) . ?
F14 C29 1.321(8) . ?
F15 C29 1.312(8) . ?
F16 C42 1.338(9) . ?
F17 C42 1.296(8) . ?
F18 C42 1.338(8) . ?
F2' C1 1.307(9) . ?
F1' C1 1.320(10) . ?
F3' C1 1.315(10) . ?
F10' C28 1.330(9) . ?
F11' C28 1.336(9) . ?
F12' C28 1.294(9) . ?
F13' C29 1.325(9) . ?
F14' C29 1.324(9) . ?
F15' C29 1.303(9) . ?
F16' C42 1.286(8) . ?
F17' C42 1.326(8) . ?
F18' C42 1.331(8) . ?
N1 C53 1.379(10) . ?
N1 C54 1.304(10) . ?
N2 C51 1.338(10) . ?
N2 C52 1.366(10) . ?
N3 C77 1.348(12) . ?
N3 C78 1.347(13) . ?
N4 C75 1.285(11) . ?
N4 C76 1.348(10) . ?
O1 C2 1.257(10) . ?
O2 C4 1.250(9) . ?
O3 C11 1.271(10) . ?
O4 C13 1.229(11) . ?
O5 C16 1.264(10) . ?
O6 C18 1.261(9) . ?
O7 C25 1.250(10) . ?
O8 C27 1.241(12) . ?
O9 C30 1.263(10) . ?
O10 C32 1.264(9) . ?
O11 C39 1.268(9) . ?
O12 C41 1.243(10) . ?
C1 C2 1.536(8) . ?
C2 C3 1.371(12) . ?
C3 C4 1.404(11) . ?
C4 C5 1.506(11) . ?
C5 C6 1.399(12) . ?
C5 C10 1.380(11) . ?
C6 C7 1.372(12) . ?
C7 C8 1.355(12) . ?
C8 C9 1.402(12) . ?
C9 C10 1.375(11) . ?
C9 C11 1.483(12) . ?
C11 C12 1.401(12) . ?
C12 C13 1.388(13) . ?
C13 C14 1.541(8) . ?
C15 C16 1.536(8) . ?
C16 C17 1.357(12) . ?
C17 C18 1.394(11) . ?
C18 C19 1.501(11) . ?
C19 C20 1.382(11) . ?
C19 C24 1.381(11) . ?
C20 C21 1.358(11) . ?
C21 C22 1.387(12) . ?
C22 C23 1.380(11) . ?
C23 C24 1.408(10) . ?
C23 C25 1.474(12) . ?
C25 C26 1.394(12) . ?
C26 C27 1.374(13) . ?
C27 C28 1.540(8) . ?
C29 C30 1.531(8) . ?
C30 C31 1.342(12) . ?
C31 C32 1.417(11) . ?
C32 C33 1.482(11) . ?
C33 C34 1.411(11) . ?
C33 C38 1.382(10) . ?
C34 C35 1.369(11) . ?
C35 C36 1.370(11) . ?
C36 C37 1.377(11) . ?
C37 C38 1.404(11) . ?
C37 C39 1.492(11) . ?
C39 C40 1.407(12) . ?
C40 C41 1.369(12) . ?
C41 C42 1.532(8) . ?
C43 C44 1.374(13) . ?
C43 C48 1.368(14) . ?
C44 C45 1.342(15) . ?
C45 C46 1.352(15) . ?
C46 C47 1.427(14) . ?
C47 C48 1.364(14) . ?
C48 C49 1.481(12) . ?
C49 C50 1.364(12) . ?
C49 C60 1.398(11) . ?
C50 C51 1.378(12) . ?
C52 C53 1.437(11) . ?
C52 C60 1.406(11) . ?
C53 C57 1.388(11) . ?
C54 C55 1.398(11) . ?
C55 C56 1.361(11) . ?
C56 C57 1.412(11) . ?
C56 C61 1.485(11) . ?
C57 C58 1.437(11) . ?
C58 C59 1.337(11) . ?
C59 C60 1.422(11) . ?
C61 C62 1.378(12) . ?
C61 C66 1.382(12) . ?
C62 C63 1.393(12) . ?
C63 C64 1.353(13) . ?
C64 C65 1.330(13) . ?
C65 C66 1.374(12) . ?
C67 C68 1.387(14) . ?
C67 C72 1.400(14) . ?
C68 C69 1.350(15) . ?
C69 C70 1.346(15) . ?
C70 C71 1.390(13) . ?
C71 C72 1.377(14) . ?
C72 C73 1.480(13) . ?
C73 C74 1.395(12) . ?
C73 C84 1.394(13) . ?
C74 C75 1.408(11) . ?
C76 C77 1.428(13) . ?
C76 C84 1.413(13) . ?
C77 C81 1.401(13) . ?
C78 C79 1.411(14) . ?
C79 C80 1.360(17) . ?
C80 C81 1.400(17) . ?
C80 C85 1.517(14) . ?
C81 C82 1.419(15) . ?
C82 C83 1.318(14) . ?
C83 C84 1.437(12) . ?
C85 C86 1.354(8) . ?
C85 C90 1.362(8) . ?
C86 C87 1.387(8) . ?
C87 C88 1.361(8) . ?
C88 C89 1.359(8) . ?
C89 C90 1.403(8) . ?

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
N1 Dy1 N2 63.9(2) . . ?
O1 Dy1 N1 79.5(2) . . ?
O1 Dy1 N2 136.9(2) . . ?
O1 Dy1 O2 73.9(2) . . ?
O1 Dy1 O5 77.7(2) . . ?
O1 Dy1 O6 142.5(2) . . ?
O1 Dy1 O9 75.3(2) . . ?
O1 Dy1 O10 119.5(2) . . ?
O2 Dy1 N1 146.3(2) . . ?
O2 Dy1 N2 148.0(2) . . ?
O2 Dy1 O5 84.2(2) . . ?
O2 Dy1 O9 116.5(2) . . ?
O2 Dy1 O10 76.37(19) . . ?
O5 Dy1 N1 70.0(2) . . ?
O5 Dy1 N2 107.9(2) . . ?
O5 Dy1 O10 148.04(19) . . ?
O6 Dy1 N1 109.6(2) . . ?
O6 Dy1 N2 74.9(2) . . ?
O6 Dy1 O2 81.26(19) . . ?
O6 Dy1 O5 72.1(2) . . ?
O6 Dy1 O9 141.9(2) . . ?
O6 Dy1 O10 79.93(19) . . ?
O9 Dy1 N1 75.0(2) . . ?
O9 Dy1 N2 73.9(2) . . ?
O9 Dy1 O5 139.0(2) . . ?
O9 Dy1 O10 72.9(2) . . ?
O10 Dy1 N1 136.0(2) . . ?
O10 Dy1 N2 78.7(2) . . ?
N4 Dy2 N3 63.0(3) . . ?
O3 Dy2 N3 128.0(2) . . ?
O3 Dy2 N4 77.0(2) . . ?
O4 Dy2 N3 70.8(3) . . ?
O4 Dy2 N4 82.2(2) . . ?
O4 Dy2 O3 72.1(2) . . ?
O7 Dy2 N3 113.2(3) . . ?
O7 Dy2 N4 72.7(2) . . ?
O7 Dy2 O3 82.30(19) . . ?
O7 Dy2 O4 147.5(2) . . ?
O7 Dy2 O11 77.2(2) . . ?
O7 Dy2 O12 137.1(2) . . ?
O8 Dy2 N3 73.0(3) . . ?
O8 Dy2 N4 104.2(2) . . ?
O8 Dy2 O3 152.9(2) . . ?
O8 Dy2 O4 135.0(2) . . ?
O8 Dy2 O7 72.6(2) . . ?
O8 Dy2 O11 87.1(2) . . ?
O8 Dy2 O12 75.0(2) . . ?
O11 Dy2 N3 152.5(2) . . ?
O11 Dy2 N4 142.6(2) . . ?
O11 Dy2 O3 77.42(19) . . ?
O11 Dy2 O4 114.8(2) . . ?
O12 Dy2 N3 82.7(3) . . ?
O12 Dy2 N4 143.5(2) . . ?
O12 Dy2 O3 120.3(2) . . ?
O12 Dy2 O4 74.6(2) . . ?
O12 Dy2 O11 73.7(2) . . ?
C53 N1 Dy1 120.1(5) . . ?
C54 N1 Dy1 123.3(6) . . ?
C54 N1 C53 116.5(7) . . ?
C51 N2 Dy1 121.9(6) . . ?
C51 N2 C52 117.3(8) . . ?
C52 N2 Dy1 120.1(5) . . ?
C77 N3 Dy2 121.1(7) . . ?
C78 N3 Dy2 119.5(7) . . ?
C78 N3 C77 118.6(9) . . ?
C75 N4 Dy2 121.1(6) . . ?
C75 N4 C76 117.7(9) . . ?
C76 N4 Dy2 121.2(7) . . ?
C2 O1 Dy1 132.4(5) . . ?
C4 O2 Dy1 136.4(5) . . ?
C11 O3 Dy2 135.4(6) . . ?
C13 O4 Dy2 133.4(6) . . ?
C16 O5 Dy1 131.0(5) . . ?
C18 O6 Dy1 136.6(5) . . ?
C25 O7 Dy2 139.2(6) . . ?
C27 O8 Dy2 134.6(7) . . ?
C30 O9 Dy1 131.2(5) . . ?
C32 O10 Dy1 135.1(5) . . ?
C39 O11 Dy2 133.9(5) . . ?
C41 O12 Dy2 130.4(6) . . ?
F1 C1 C2 109.5(9) . . ?
F2 C1 F1 105.0(7) . . ?
F2 C1 C2 113.2(8) . . ?
F3 C1 F1 106.4(8) . . ?
F3 C1 F2 106.5(8) . . ?
F3 C1 C2 115.4(9) . . ?
F2' C1 F1' 106.5(10) . . ?
F2' C1 F3' 106.7(10) . . ?
F2' C1 C2 120.0(15) . . ?
F1' C1 C2 103.5(15) . . ?
F3' C1 F1' 106.5(10) . . ?
F3' C1 C2 112.6(16) . . ?
O1 C2 C1 111.9(8) . . ?
O1 C2 C3 130.1(8) . . ?
C3 C2 C1 117.9(9) . . ?
C2 C3 C4 121.8(9) . . ?
O2 C4 C3 124.2(9) . . ?
O2 C4 C5 116.2(8) . . ?
C3 C4 C5 119.6(8) . . ?
C6 C5 C4 120.5(8) . . ?
C10 C5 C4 119.8(8) . . ?
C10 C5 C6 119.7(9) . . ?
C7 C6 C5 118.6(9) . . ?
C8 C7 C6 121.7(9) . . ?
C7 C8 C9 120.5(9) . . ?
C8 C9 C11 121.0(8) . . ?
C10 C9 C8 118.2(9) . . ?
C10 C9 C11 120.8(8) . . ?
C9 C10 C5 121.3(9) . . ?
O3 C11 C9 117.6(8) . . ?
O3 C11 C12 123.5(9) . . ?
C12 C11 C9 118.8(9) . . ?
C13 C12 C11 122.0(10) . . ?
O4 C13 C12 129.3(9) . . ?
O4 C13 C14 113.9(9) . . ?
C12 C13 C14 116.7(10) . . ?
F4 C14 F5 106.1(8) . . ?
F4 C14 C13 114.2(9) . . ?
F5 C14 C13 110.8(8) . . ?
F6 C14 F4 106.8(8) . . ?
F6 C14 F5 106.1(8) . . ?
F6 C14 C13 112.4(9) . . ?
F7 C15 F9 105.4(7) . . ?
F7 C15 C16 110.3(7) . . ?
F8 C15 F7 105.7(7) . . ?
F8 C15 F9 107.1(7) . . ?
F8 C15 C16 113.1(8) . . ?
F9 C15 C16 114.6(8) . . ?
O5 C16 C15 113.0(8) . . ?
O5 C16 C17 129.3(8) . . ?
C17 C16 C15 117.6(9) . . ?
C16 C17 C18 121.2(9) . . ?
O6 C18 C17 124.3(8) . . ?
O6 C18 C19 115.8(7) . . ?
C17 C18 C19 119.8(8) . . ?
C20 C19 C18 122.5(8) . . ?
C24 C19 C18 117.7(7) . . ?
C24 C19 C20 119.8(8) . . ?
C21 C20 C19 120.0(9) . . ?
C20 C21 C22 120.8(9) . . ?
C23 C22 C21 120.6(9) . . ?
C22 C23 C24 118.0(8) . . ?
C22 C23 C25 124.2(8) . . ?
C24 C23 C25 117.7(8) . . ?
C19 C24 C23 120.6(8) . . ?
O7 C25 C23 117.7(8) . . ?
O7 C25 C26 122.0(9) . . ?
C26 C25 C23 120.2(9) . . ?
C27 C26 C25 123.0(10) . . ?
O8 C27 C26 128.2(10) . . ?
O8 C27 C28 113.6(10) . . ?
C26 C27 C28 118.2(10) . . ?
F10 C28 F12 105.5(8) . . ?
F10 C28 C27 110.1(10) . . ?
F11 C28 F10 107.7(9) . . ?
F11 C28 F12 105.6(8) . . ?
F11 C28 C27 119.6(10) . . ?
F12 C28 C27 107.4(10) . . ?
F10' C28 F11' 104.7(9) . . ?
F10' C28 C27 109.2(13) . . ?
F11' C28 C27 108.4(11) . . ?
F12' C28 F10' 108.0(9) . . ?
F12' C28 F11' 106.1(9) . . ?
F12' C28 C27 119.4(12) . . ?
F13 C29 F14 104.5(7) . . ?
F13 C29 C30 112.5(8) . . ?
F14 C29 C30 109.8(8) . . ?
F15 C29 F13 107.1(7) . . ?
F15 C29 F14 107.7(7) . . ?
F15 C29 C30 114.7(8) . . ?
F13' C29 C30 104.0(13) . . ?
F14' C29 F13' 105.3(9) . . ?
F14' C29 C30 111.5(13) . . ?
F15' C29 F13' 106.4(9) . . ?
F15' C29 F14' 106.1(9) . . ?
F15' C29 C30 122.2(14) . . ?
O9 C30 C29 111.4(8) . . ?
O9 C30 C31 130.1(8) . . ?
C31 C30 C29 118.5(9) . . ?
C30 C31 C32 123.2(9) . . ?
O10 C32 C31 123.0(8) . . ?
O10 C32 C33 116.9(7) . . ?
C31 C32 C33 120.1(8) . . ?
C34 C33 C32 121.3(8) . . ?
C38 C33 C32 120.8(8) . . ?
C38 C33 C34 117.9(8) . . ?
C35 C34 C33 120.8(8) . . ?
C34 C35 C36 120.7(9) . . ?
C35 C36 C37 120.0(9) . . ?
C36 C37 C38 119.7(8) . . ?
C36 C37 C39 121.6(8) . . ?
C38 C37 C39 118.7(8) . . ?
C33 C38 C37 120.7(8) . . ?
O11 C39 C37 117.3(8) . . ?
O11 C39 C40 122.7(8) . . ?
C40 C39 C37 120.0(8) . . ?
C41 C40 C39 123.1(9) . . ?
O12 C41 C40 129.9(9) . . ?
O12 C41 C42 113.4(8) . . ?
C40 C41 C42 116.7(9) . . ?
F16 C42 C41 112.5(9) . . ?
F17 C42 F16 106.4(8) . . ?
F17 C42 F18 106.7(8) . . ?
F17 C42 C41 117.4(9) . . ?
F18 C42 F16 102.9(8) . . ?
F18 C42 C41 109.8(9) . . ?
F16' C42 F17' 108.3(8) . . ?
F16' C42 F18' 106.9(8) . . ?
F16' C42 C41 120.8(10) . . ?
F17' C42 F18' 104.6(8) . . ?
F17' C42 C41 107.4(9) . . ?
F18' C42 C41 107.8(9) . . ?
C48 C43 C44 122.5(12) . . ?
C45 C44 C43 119.8(12) . . ?
C44 C45 C46 119.3(13) . . ?
C45 C46 C47 121.8(13) . . ?
C48 C47 C46 117.7(12) . . ?
C43 C48 C49 122.2(10) . . ?
C47 C48 C43 118.7(11) . . ?
C47 C48 C49 119.0(10) . . ?
C50 C49 C48 120.3(9) . . ?
C50 C49 C60 118.9(9) . . ?
C60 C49 C48 120.8(9) . . ?
C49 C50 C51 120.3(9) . . ?
N2 C51 C50 123.1(9) . . ?
N2 C52 C53 116.6(8) . . ?
N2 C52 C60 122.4(8) . . ?
C60 C52 C53 121.0(8) . . ?
N1 C53 C52 118.1(7) . . ?
N1 C53 C57 122.7(7) . . ?
C57 C53 C52 119.2(8) . . ?
N1 C54 C55 124.9(8) . . ?
C56 C55 C54 118.9(8) . . ?
C55 C56 C57 118.5(8) . . ?
C55 C56 C61 121.8(8) . . ?
C57 C56 C61 119.6(8) . . ?
C53 C57 C56 118.3(8) . . ?
C53 C57 C58 118.4(8) . . ?
C56 C57 C58 123.2(8) . . ?
C59 C58 C57 121.9(8) . . ?
C58 C59 C60 121.5(9) . . ?
C49 C60 C52 118.0(8) . . ?
C49 C60 C59 124.2(9) . . ?
C52 C60 C59 117.8(8) . . ?
C62 C61 C56 121.3(9) . . ?
C62 C61 C66 117.6(9) . . ?
C66 C61 C56 121.0(9) . . ?
C61 C62 C63 119.4(10) . . ?
C64 C63 C62 121.2(10) . . ?
C65 C64 C63 119.5(10) . . ?
C64 C65 C66 121.0(11) . . ?
C65 C66 C61 121.0(10) . . ?
C68 C67 C72 119.9(12) . . ?
C69 C68 C67 121.2(13) . . ?
C70 C69 C68 119.7(13) . . ?
C69 C70 C71 120.8(13) . . ?
C72 C71 C70 120.9(12) . . ?
C67 C72 C73 120.5(11) . . ?
C71 C72 C67 117.4(11) . . ?
C71 C72 C73 121.9(11) . . ?
C74 C73 C72 115.8(10) . . ?
C84 C73 C72 126.2(9) . . ?
C84 C73 C74 118.0(9) . . ?
C73 C74 C75 117.9(10) . . ?
N4 C75 C74 125.2(9) . . ?
N4 C76 C77 117.4(9) . . ?
N4 C76 C84 122.6(10) . . ?
C84 C76 C77 119.9(9) . . ?
N3 C77 C76 116.6(9) . . ?
N3 C77 C81 122.9(11) . . ?
C81 C77 C76 120.5(11) . . ?
N3 C78 C79 121.0(12) . . ?
C80 C79 C78 120.4(14) . . ?
C79 C80 C81 119.0(12) . . ?
C79 C80 C85 115.2(13) . . ?
C81 C80 C85 125.7(14) . . ?
C77 C81 C82 117.0(12) . . ?
C80 C81 C77 118.0(12) . . ?
C80 C81 C82 124.8(11) . . ?
C83 C82 C81 123.9(11) . . ?
C82 C83 C84 120.8(11) . . ?
C73 C84 C76 118.5(9) . . ?
C73 C84 C83 123.8(10) . . ?
C76 C84 C83 117.7(10) . . ?
C86 C85 C80 119.1(12) . . ?
C86 C85 C90 121.0(7) . . ?
C90 C85 C80 119.8(12) . . ?
C85 C86 C87 119.9(7) . . ?
C88 C87 C86 119.2(7) . . ?
C89 C88 C87 121.7(7) . . ?
C88 C89 C90 118.6(7) . . ?
C85 C90 C89 119.5(7) . . ?

_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 1.638
_oxdiff_exptl_absorpt_empirical_full_min 0.689
