# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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. 
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data_2
_database_code_depnum_ccdc_archive 'CCDC 2085027'
loop_
_audit_author_name
_audit_author_address
'Scott Dalgarno'
;Heriot Watt University
United Kingdom
;
_audit_update_record             
;
2021-05-21 deposited with the CCDC.	2021-07-20 downloaded from the CCDC.
;
_audit_creation_date             2021-05-21
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            DyL2
_chemical_name_systematic        ?
_chemical_formula_moiety         'C120 H184 Dy O32 P8, 2(C F3 O3 S)'
_chemical_formula_sum            'C123 H184 Dy F9 O41 P8 S3'
_chemical_formula_weight         2996.13
_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'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   16.141(4)
_cell_length_b                   24.753(6)
_cell_length_c                   25.146(7)
_cell_angle_alpha                77.616(7)
_cell_angle_beta                 75.227(7)
_cell_angle_gamma                86.972(16)
_cell_volume                     9488(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9206
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      58.561
_cell_measurement_theta_min      2.873
_shelx_estimated_absorpt_T_max   0.673
_shelx_estimated_absorpt_T_min   0.404
_exptl_absorpt_coefficient_mu    3.621
_exptl_absorpt_correction_T_max  0.7516
_exptl_absorpt_correction_T_min  0.5567
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016) was used for absorption correction.
wR2(int) was 0.1082 before and 0.0843 after correction.
The Ratio of minimum to maximum transmission is 0.7407.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.049
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Plate
_exptl_crystal_F_000             3130
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0.00 -1.00 0.00 0.1380
0.00 -2.00 1.00 0.1430
2.00 -1.00 0.00 0.0740
-1.00 1.00 0.00 0.0270
-1.00 -2.00 2.00 0.1610
0.00 -1.00 1.00 0.1400
0.00 1.00 -1.00 0.1130
0.00 0.00 -1.00 0.1040
0.00 1.00 2.00 0.0600
0.00 -1.00 -2.00 0.0810
1.00 0.00 2.00 0.0960
-1.00 0.00 -2.00 0.0730
0.00 1.00 1.00 0.0370
0.00 -1.00 -1.00 0.0720
-1.00 0.00 -1.00 0.0420
2.00 -1.00 1.00 0.0700
1.00 2.00 2.00 0.0590
-1.00 -2.00 -2.00 0.0820
0.00 2.00 1.00 0.0540
0.00 -2.00 -1.00 0.1070
-1.00 -1.00 -2.00 0.0450
1.00 1.00 2.00 0.0660

_exptl_crystal_size_max          0.306
_exptl_crystal_size_mid          0.157
_exptl_crystal_size_min          0.119
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0998
_diffrn_reflns_av_unetI/netI     0.0907
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            126160
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        59.174
_diffrn_reflns_theta_max         59.174
_diffrn_reflns_theta_min         1.827
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker D8Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           1.1
_diffrn_source_power             0.055
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                19152
_reflns_number_total             27054
_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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.172
_refine_diff_density_min         -1.338
_refine_diff_density_rms         0.097
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1502
_refine_ls_number_reflns         27054
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.1103
_refine_ls_R_factor_gt           0.0844
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1600P)²+10.3791P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2372
_refine_ls_wR_factor_ref         0.2608
_refine_special_details          
;
 A number of restraints were applied during refinement due to the 
 presence of disorder in the structure. Calculated and reported formulae
 also differ due to said disorder, as it was necessary to remove density 
 associated with a highly disordered trifoliate anion that resides across
 a special position. It was not possible to model this disorder to arrive
 at an acceptable model.
;
_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
 C96-C95 = C97-C95 = C98-C95 = C99-C95 = C95-C101 = C95-C100
 1.54 with sigma of 0.02
 C35-C29 = C34-C29 = C33-C29 = C31-C29 = C32-C29 = C30-C29
 1.54 with sigma of 0.02
 C43-C40 = C44-C40 = C45-C40 = C46-C40 = C41-C40 = C42-C40
 1.54 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C95) = Uanis(C98) = Uanis(C96) = Uanis(C100) = Uanis(C101) = Uanis(C97) =
Uanis(C99)
Uanis(C104) = Uanis(C102) = Uanis(C105) = Uanis(C103)
Uanis(C107) = Uanis(C109) = Uanis(C106) = Uanis(C108)
Uanis(C124) = Uanis(C125)
Uanis(C29) = Uanis(C34) = Uanis(C31) = Uanis(C30) = Uanis(C35) = Uanis(C32) =
Uanis(C33)
Uanis(C40) = Uanis(C43) = Uanis(C45) = Uanis(C41) = Uanis(C46) = Uanis(C42) =
Uanis(C44)
Uanis(F4) = Uanis(F5) = Uanis(F6)
Uanis(C50) = Uanis(C48) = Uanis(C49) = Uanis(C47)
Uanis(C128) = Uanis(C129)
Uanis(C62) = Uanis(C61)
Uanis(O38) = Uanis(O36) = Uanis(O37)
4. Others
 Fixed Sof: C30(0.5) H30A(0.5) H30B(0.5) H30C(0.5) C32(0.5) H32A(0.5)
 H32B(0.5) H32C(0.5) C34(0.5) H34A(0.5) H34B(0.5) H34C(0.5) C42(0.5) H42A(0.5)
 H42B(0.5) H42C(0.5) C44(0.5) H44A(0.5) H44B(0.5) H44C(0.5) C46(0.5) H46A(0.5)
 H46B(0.5) H46C(0.5) C96(0.75) H96A(0.75) H96B(0.75) H96C(0.75) C98(0.75)
 H98A(0.75) H98B(0.75) H98C(0.75) C100(0.75) H10S(0.75) H10T(0.75) H10U(0.75)
 C31(0.5) H31A(0.5) H31B(0.5) H31C(0.5) C33(0.5) H33A(0.5) H33B(0.5) H33C(0.5)
 C35(0.5) H35A(0.5) H35B(0.5) H35C(0.5) C41(0.5) H41A(0.5) H41B(0.5) H41C(0.5)
 C43(0.5) H43A(0.5) H43B(0.5) H43C(0.5) C45(0.5) H45A(0.5) H45B(0.5) H45C(0.5)
 C97(0.25) H97A(0.25) H97B(0.25) H97C(0.25) C99(0.25) H99A(0.25) H99B(0.25)
 H99C(0.25) C101(0.25) H10V(0.25) H10W(0.25) H10X(0.25)
5.a Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C14(H14A,H14B), C21(H21A,H21B), C28(H28A,H28B), C51(H51A,H51B),
 C53(H53A,H53B), C55(H55A,H55B), C57(H57A,H57B), C59(H59A,H59B), C61(H61A,H61B),
  C63(H63A,H63B), C65(H65A,H65B), C73(H73A,H73B), C80(H80A,H80B), C87(H87A,
 H87B), C94(H94A,H94B), C114(H11J,H11K), C116(H11O,H11P), C118(H11T,H11U),
 C120(H12A,H12B), C122(H12F,H12G), C124(H12K,H12L), C126(H12P,H12Q), C128(H12U,
 H12V)
5.b Me refined with riding coordinates:
 C30(H30A,H30B,H30C), C32(H32A,H32B,H32C), C34(H34A,H34B,H34C), C42(H42A,H42B,
 H42C), C44(H44A,H44B,H44C), C46(H46A,H46B,H46C), C96(H96A,H96B,H96C), C98(H98A,
 H98B,H98C), C100(H10S,H10T,H10U), C31(H31A,H31B,H31C), C33(H33A,H33B,H33C),
 C35(H35A,H35B,H35C), C41(H41A,H41B,H41C), C43(H43A,H43B,H43C), C45(H45A,H45B,
 H45C), C97(H97A,H97B,H97C), C99(H99A,H99B,H99C), C101(H10V,H10W,H10X)
5.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C9(H9), C11(H11), C16(H16), C18(H18), C23(H23), C25(H25),
 C68(H68), C70(H70), C75(H75), C77(H77), C82(H82), C84(H84), C89(H89), C91(H91)
5.d Idealised Me refined as rotating group:
 C37(H37A,H37B,H37C), C38(H38A,H38B,H38C), C39(H39A,H39B,H39C), C48(H48A,H48B,
 H48C), C49(H49A,H49B,H49C), C50(H50A,H50B,H50C), C52(H52A,H52B,H52C), C54(H54A,
 H54B,H54C), C56(H56A,H56B,H56C), C58(H58A,H58B,H58C), C60(H60A,H60B,H60C),
 C62(H62A,H62B,H62C), C64(H64A,H64B,H64C), C66(H66A,H66B,H66C), C103(H10A,H10B,
 H10C), C104(H10D,H10E,H10F), C105(H10G,H10H,H10I), C107(H10J,H10K,H10L),
 C108(H10M,H10N,H10O), C109(H10P,H10Q,H10R), C111(H11A,H11B,H11C), C112(H11D,
 H11E,H11F), C113(H11G,H11H,H11I), C115(H11L,H11M,H11N), C117(H11Q,H11R,H11S),
 C119(H11V,H11W,H11X), C121(H12C,H12D,H12E), C123(H12H,H12I,H12J), C125(H12M,
 H12N,H12O), C127(H12R,H12S,H12T), C129(H12W,H12X,H12Y)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.23943(3) 0.25812(2) 0.74890(2) 0.04252(15) Uani 1 1 d . . . . .
P1 P 0.37616(11) 0.38084(7) 0.73428(7) 0.0451(4) Uani 1 1 d . . . . .
P2 P 0.42665(12) 0.22934(8) 0.81024(7) 0.0476(4) Uani 1 1 d . . . . .
P3 P 0.17698(12) 0.21285(8) 0.90356(7) 0.0488(4) Uani 1 1 d . . . . .
P4 P 0.13068(11) 0.36916(8) 0.82272(7) 0.0461(4) Uani 1 1 d . . . . .
P5 P 0.27439(11) 0.31400(7) 0.59601(7) 0.0435(4) Uani 1 1 d . . . . .
P6 P 0.03609(11) 0.27241(7) 0.70235(7) 0.0438(4) Uani 1 1 d . . . . .
P7 P 0.12846(11) 0.12503(7) 0.76233(7) 0.0454(4) Uani 1 1 d . . . . .
P8 P 0.36267(11) 0.16469(7) 0.65907(7) 0.0466(4) Uani 1 1 d . . . . .
O1 O 0.3709(3) 0.38233(18) 0.79677(17) 0.0461(11) Uani 1 1 d . . . . .
O2 O 0.4093(3) 0.26947(18) 0.85242(18) 0.0458(11) Uani 1 1 d . . . . .
O3 O 0.2265(3) 0.25711(19) 0.92019(17) 0.0495(12) Uani 1 1 d . . . . .
O4 O 0.1892(3) 0.37190(18) 0.86199(17) 0.0456(11) Uani 1 1 d . . . . .
O5 O 0.3209(3) 0.43187(18) 0.71591(18) 0.0499(11) Uani 1 1 d . . . . .
O6 O 0.4709(3) 0.3924(2) 0.69733(19) 0.0561(13) Uani 1 1 d . . . . .
O7 O 0.3487(3) 0.32667(18) 0.73035(18) 0.0440(10) Uani 1 1 d . . . . .
O8 O 0.5014(3) 0.25796(19) 0.76116(18) 0.0498(11) Uani 1 1 d . . . . .
O9 O 0.4615(3) 0.1727(2) 0.8391(2) 0.0586(13) Uani 1 1 d . . . . .
O10 O 0.3463(3) 0.21925(19) 0.79599(18) 0.0483(11) Uani 1 1 d . . . . .
O11 O 0.2290(3) 0.15858(19) 0.9165(2) 0.0581(13) Uani 1 1 d . . . . .
O12 O 0.0847(3) 0.2041(2) 0.94454(19) 0.0599(13) Uani 1 1 d . . . . .
O13 O 0.1700(3) 0.23247(18) 0.84539(17) 0.0466(11) Uani 1 1 d . . . . .
O14 O 0.0458(3) 0.3432(2) 0.86462(18) 0.0513(12) Uani 1 1 d . . . . .
O15 O 0.1099(3) 0.42883(18) 0.79306(18) 0.0481(11) Uani 1 1 d . . . . .
O16 O 0.1745(3) 0.33942(18) 0.77874(18) 0.0469(11) Uani 1 1 d . . . . .
O17 O 0.2328(3) 0.26621(18) 0.57895(17) 0.0443(11) Uani 1 1 d . . . . .
O18 O 0.0575(3) 0.23525(17) 0.65736(17) 0.0407(10) Uani 1 1 d . . . . .
O19 O 0.1236(3) 0.12695(18) 0.70025(17) 0.0445(11) Uani 1 1 d . . . . .
O20 O 0.2973(3) 0.15665(18) 0.62471(18) 0.0441(10) Uani 1 1 d . . . . .
O21 O 0.3725(3) 0.30604(19) 0.57214(18) 0.0466(11) Uani 1 1 d . . . . .
O22 O 0.2480(3) 0.37106(18) 0.56390(18) 0.0498(11) Uani 1 1 d . . . . .
O23 O 0.2432(3) 0.31063(18) 0.65707(16) 0.0423(10) Uani 1 1 d . . . . .
O24 O 0.0361(3) 0.33208(18) 0.66743(19) 0.0515(12) Uani 1 1 d . . . . .
O25 O -0.0574(3) 0.25945(19) 0.74061(19) 0.0504(11) Uani 1 1 d . . . . .
O26 O 0.0976(3) 0.26032(18) 0.73749(17) 0.0441(10) Uani 1 1 d . . . . .
O27 O 0.0335(3) 0.13512(19) 0.79321(18) 0.0490(11) Uani 1 1 d . . . . .
O28 O 0.1545(3) 0.0653(2) 0.7884(2) 0.0575(13) Uani 1 1 d . . . . .
O29 O 0.1937(3) 0.16464(18) 0.76203(18) 0.0472(11) Uani 1 1 d . . . . .
O30 O 0.3595(3) 0.10794(19) 0.6998(2) 0.0556(12) Uani 1 1 d . . . . .
O31 O 0.4552(3) 0.1736(2) 0.6193(2) 0.0529(12) Uani 1 1 d . . . . .
O32 O 0.3389(3) 0.21404(18) 0.68413(18) 0.0449(11) Uani 1 1 d . . . . .
C1 C 0.3651(5) 0.4700(3) 0.8267(3) 0.0495(17) Uani 1 1 d . . . . .
C2 C 0.4069(5) 0.5085(3) 0.8433(3) 0.062(2) Uani 1 1 d . . . . .
H2 H 0.3766 0.5410 0.8513 0.075 Uiso 1 1 calc R U . . .
C3 C 0.4906(5) 0.5024(4) 0.8491(4) 0.070(2) Uani 1 1 d . . . . .
C4 C 0.5312(5) 0.4524(4) 0.8402(3) 0.064(2) Uani 1 1 d . . . . .
H4 H 0.5867 0.4454 0.8465 0.077 Uiso 1 1 calc R U . . .
C5 C 0.4922(4) 0.4118(3) 0.8223(3) 0.0498(18) Uani 1 1 d . . . . .
C6 C 0.4108(4) 0.4235(3) 0.8150(3) 0.0476(18) Uani 1 1 d . . . . .
C7 C 0.5396(5) 0.3578(3) 0.8156(3) 0.0505(17) Uani 1 1 d . . . . .
H7A H 0.5198 0.3422 0.7879 0.061 Uiso 1 1 calc R U . . .
H7B H 0.6016 0.3658 0.8005 0.061 Uiso 1 1 calc R U . . .
C8 C 0.5268(5) 0.3156(3) 0.8692(3) 0.0528(18) Uani 1 1 d . . . . .
C9 C 0.5785(5) 0.3176(4) 0.9064(3) 0.062(2) Uani 1 1 d . . . . .
H9 H 0.6234 0.3442 0.8952 0.074 Uiso 1 1 calc R U . . .
C10 C 0.5664(5) 0.2828(4) 0.9580(4) 0.066(2) Uani 1 1 d . . . . .
C11 C 0.4992(6) 0.2438(4) 0.9744(3) 0.070(2) Uani 1 1 d . . . . .
H11 H 0.4910 0.2189 1.0098 0.084 Uiso 1 1 calc R U . . .
C12 C 0.4452(5) 0.2407(3) 0.9409(3) 0.0563(19) Uani 1 1 d . . . . .
C13 C 0.4627(5) 0.2750(3) 0.8874(3) 0.0540(19) Uani 1 1 d . . . . .
C14 C 0.3688(5) 0.2019(3) 0.9631(3) 0.0567(19) Uani 1 1 d . . . . .
H14A H 0.3849 0.1674 0.9865 0.068 Uiso 1 1 calc R U . . .
H14B H 0.3521 0.1920 0.9311 0.068 Uiso 1 1 calc R U . . .
C15 C 0.2923(5) 0.2288(3) 0.9984(3) 0.059(2) Uani 1 1 d . . . . .
C16 C 0.2888(6) 0.2300(4) 1.0541(3) 0.073(2) Uani 1 1 d . . . . .
H16 H 0.3320 0.2109 1.0703 0.087 Uiso 1 1 calc R U . . .
C17 C 0.2261(6) 0.2575(4) 1.0875(3) 0.074(2) Uani 1 1 d . . . . .
C18 C 0.1649(6) 0.2873(4) 1.0616(3) 0.074(3) Uani 1 1 d . . . . .
H18 H 0.1221 0.3072 1.0831 0.088 Uiso 1 1 calc R U . . .
C19 C 0.1644(5) 0.2888(3) 1.0058(3) 0.058(2) Uani 1 1 d . . . . .
C20 C 0.2277(5) 0.2575(3) 0.9757(3) 0.056(2) Uani 1 1 d . . . . .
C21 C 0.1002(5) 0.3247(3) 0.9793(3) 0.0554(19) Uani 1 1 d . . . . .
H21A H 0.0913 0.3105 0.9473 0.066 Uiso 1 1 calc R U . . .
H21B H 0.0445 0.3244 1.0073 0.066 Uiso 1 1 calc R U . . .
C22 C 0.1357(4) 0.3832(3) 0.9591(3) 0.0497(17) Uani 1 1 d . . . . .
C23 C 0.1280(5) 0.4172(3) 0.9975(3) 0.059(2) Uani 1 1 d . . . . .
H23 H 0.0971 0.4039 1.0353 0.070 Uiso 1 1 calc R U . . .
C24 C 0.1640(5) 0.4705(3) 0.9829(3) 0.058(2) Uani 1 1 d . . . . .
C25 C 0.2052(4) 0.4899(3) 0.9278(3) 0.0546(18) Uani 1 1 d . . . . .
H25 H 0.2277 0.5265 0.9172 0.066 Uiso 1 1 calc R U . . .
C26 C 0.2163(4) 0.4584(3) 0.8856(3) 0.0462(17) Uani 1 1 d . . . . .
C27 C 0.1775(4) 0.4058(3) 0.9036(3) 0.0521(18) Uani 1 1 d . . . . .
C28 C 0.2716(4) 0.4795(3) 0.8264(3) 0.0516(18) Uani 1 1 d . . . . .
H28A H 0.2568 0.4597 0.7999 0.062 Uiso 1 1 calc R U . . .
H28B H 0.2612 0.5195 0.8141 0.062 Uiso 1 1 calc R U . . .
C29 C 0.5324(6) 0.5457(4) 0.8690(5) 0.105(3) Uani 1 1 d D . . . .
C36 C 0.6289(6) 0.2832(4) 0.9967(4) 0.081(3) Uani 1 1 d . . . . .
C37 C 0.5800(7) 0.2707(6) 1.0583(4) 0.116(4) Uani 1 1 d . . . . .
H37A H 0.6114 0.2859 1.0804 0.174 Uiso 1 1 calc R U . . .
H37B H 0.5742 0.2306 1.0719 0.174 Uiso 1 1 calc R U . . .
H37C H 0.5230 0.2876 1.0622 0.174 Uiso 1 1 calc R U . . .
C38 C 0.6771(8) 0.3343(5) 0.9822(5) 0.115(4) Uani 1 1 d . . . . .
H38A H 0.6375 0.3653 0.9870 0.173 Uiso 1 1 calc R U . . .
H38B H 0.7104 0.3400 0.9429 0.173 Uiso 1 1 calc R U . . .
H38C H 0.7161 0.3322 1.0067 0.173 Uiso 1 1 calc R U . . .
C39 C 0.6951(7) 0.2349(6) 0.9869(5) 0.128(5) Uani 1 1 d . . . . .
H39A H 0.7414 0.2378 1.0049 0.192 Uiso 1 1 calc R U . . .
H39B H 0.7189 0.2376 0.9465 0.192 Uiso 1 1 calc R U . . .
H39C H 0.6659 0.1992 1.0034 0.192 Uiso 1 1 calc R U . . .
C40 C 0.2242(9) 0.2568(5) 1.1471(4) 0.123(3) Uani 1 1 d D . . . .
C47 C 0.1565(8) 0.5053(5) 1.0278(4) 0.1047(19) Uani 1 1 d . . . . .
C48 C 0.1321(8) 0.4718(5) 1.0874(4) 0.1047(19) Uani 1 1 d . . . . .
H48A H 0.0723 0.4597 1.0966 0.157 Uiso 1 1 calc R U . . .
H48B H 0.1388 0.4946 1.1134 0.157 Uiso 1 1 calc R U . . .
H48C H 0.1694 0.4393 1.0908 0.157 Uiso 1 1 calc R U . . .
C49 C 0.0813(7) 0.5465(5) 1.0226(4) 0.1047(19) Uani 1 1 d . . . . .
H49A H 0.0988 0.5749 0.9881 0.157 Uiso 1 1 calc R U . . .
H49B H 0.0664 0.5642 1.0551 0.157 Uiso 1 1 calc R U . . .
H49C H 0.0314 0.5265 1.0212 0.157 Uiso 1 1 calc R U . . .
C50 C 0.2415(7) 0.5323(5) 1.0201(4) 0.1047(19) Uani 1 1 d . . . . .
H50A H 0.2863 0.5040 1.0202 0.157 Uiso 1 1 calc R U . . .
H50B H 0.2383 0.5515 1.0508 0.157 Uiso 1 1 calc R U . . .
H50C H 0.2551 0.5590 0.9841 0.157 Uiso 1 1 calc R U . . .
C51 C 0.2935(5) 0.4403(3) 0.6633(3) 0.0563(19) Uani 1 1 d . . . . .
H51A H 0.3436 0.4390 0.6313 0.068 Uiso 1 1 calc R U . . .
H51B H 0.2526 0.4110 0.6655 0.068 Uiso 1 1 calc R U . . .
C52 C 0.2525(6) 0.4943(4) 0.6556(4) 0.078(2) Uani 1 1 d . . . . .
H52A H 0.2312 0.5005 0.6216 0.117 Uiso 1 1 calc R U . . .
H52B H 0.2943 0.5232 0.6517 0.117 Uiso 1 1 calc R U . . .
H52C H 0.2046 0.4957 0.6883 0.117 Uiso 1 1 calc R U . . .
C53 C 0.5092(6) 0.4489(3) 0.6771(3) 0.071(3) Uani 1 1 d . . . . .
H53A H 0.4924 0.4679 0.6426 0.085 Uiso 1 1 calc R U . . .
H53B H 0.4894 0.4712 0.7062 0.085 Uiso 1 1 calc R U . . .
C54 C 0.6037(6) 0.4415(5) 0.6653(4) 0.097(4) Uani 1 1 d . . . . .
H54A H 0.6221 0.4182 0.6375 0.146 Uiso 1 1 calc R U . . .
H54B H 0.6195 0.4238 0.7001 0.146 Uiso 1 1 calc R U . . .
H54C H 0.6318 0.4777 0.6505 0.146 Uiso 1 1 calc R U . . .
C55 C 0.5296(5) 0.2388(3) 0.7072(3) 0.0546(18) Uani 1 1 d . . . . .
H55A H 0.5300 0.1979 0.7142 0.066 Uiso 1 1 calc R U . . .
H55B H 0.4905 0.2528 0.6828 0.066 Uiso 1 1 calc R U . . .
C56 C 0.6175(5) 0.2612(4) 0.6803(3) 0.076(3) Uani 1 1 d . . . . .
H56A H 0.6319 0.2604 0.6402 0.114 Uiso 1 1 calc R U . . .
H56B H 0.6585 0.2385 0.6981 0.114 Uiso 1 1 calc R U . . .
H56C H 0.6199 0.2994 0.6848 0.114 Uiso 1 1 calc R U . . .
C57 C 0.5523(6) 0.1621(4) 0.8371(4) 0.081(3) Uani 1 1 d . . . . .
H57A H 0.5816 0.1506 0.8016 0.097 Uiso 1 1 calc R U . . .
H57B H 0.5804 0.1961 0.8388 0.097 Uiso 1 1 calc R U . . .
C58 C 0.5580(9) 0.1187(6) 0.8845(5) 0.126(4) Uani 1 1 d . . . . .
H58A H 0.5278 0.1301 0.9194 0.189 Uiso 1 1 calc R U . . .
H58B H 0.6183 0.1117 0.8845 0.189 Uiso 1 1 calc R U . . .
H58C H 0.5317 0.0849 0.8819 0.189 Uiso 1 1 calc R U . . .
C59 C 0.2228(6) 0.1086(3) 0.8946(3) 0.067(2) Uani 1 1 d . . . . .
H59A H 0.1648 0.0922 0.9100 0.080 Uiso 1 1 calc R U . . .
H59B H 0.2348 0.1177 0.8531 0.080 Uiso 1 1 calc R U . . .
C60 C 0.2869(8) 0.0704(4) 0.9127(5) 0.096(3) Uani 1 1 d . . . . .
H60A H 0.3437 0.0875 0.8976 0.144 Uiso 1 1 calc R U . . .
H60B H 0.2862 0.0363 0.8989 0.144 Uiso 1 1 calc R U . . .
H60C H 0.2738 0.0615 0.9539 0.144 Uiso 1 1 calc R U . . .
C61 C 0.0643(7) 0.1676(5) 1.0002(4) 0.111(3) Uani 1 1 d . . . . .
H61A H 0.1069 0.1726 1.0209 0.133 Uiso 1 1 calc R U . . .
H61B H 0.0659 0.1286 0.9964 0.133 Uiso 1 1 calc R U . . .
C62 C -0.0221(7) 0.1815(5) 1.0310(4) 0.111(3) Uani 1 1 d . . . . .
H62A H -0.0648 0.1711 1.0134 0.166 Uiso 1 1 calc R U . . .
H62B H -0.0256 0.2213 1.0300 0.166 Uiso 1 1 calc R U . . .
H62C H -0.0334 0.1612 1.0702 0.166 Uiso 1 1 calc R U . . .
C63 C -0.0187(4) 0.3157(3) 0.8474(3) 0.058(2) Uani 1 1 d . . . . .
H63A H 0.0057 0.2824 0.8333 0.070 Uiso 1 1 calc R U . . .
H63B H -0.0396 0.3412 0.8175 0.070 Uiso 1 1 calc R U . . .
C64 C -0.0895(6) 0.3003(5) 0.8992(4) 0.095(3) Uani 1 1 d . . . . .
H64A H -0.1355 0.2821 0.8905 0.142 Uiso 1 1 calc R U . . .
H64B H -0.1120 0.3336 0.9130 0.142 Uiso 1 1 calc R U . . .
H64C H -0.0677 0.2749 0.9282 0.142 Uiso 1 1 calc R U . . .
C65 C 0.0422(5) 0.4659(3) 0.8191(3) 0.061(2) Uani 1 1 d . . . . .
H65A H -0.0145 0.4476 0.8299 0.073 Uiso 1 1 calc R U . . .
H65B H 0.0546 0.4735 0.8533 0.073 Uiso 1 1 calc R U . . .
C66 C 0.0411(6) 0.5172(4) 0.7786(4) 0.082(3) Uani 1 1 d . . . . .
H66A H 0.0350 0.5091 0.7433 0.123 Uiso 1 1 calc R U . . .
H66B H 0.0948 0.5373 0.7716 0.123 Uiso 1 1 calc R U . . .
H66C H -0.0072 0.5399 0.7935 0.123 Uiso 1 1 calc R U . . .
C67 C 0.2985(4) 0.2447(3) 0.4881(3) 0.0477(17) Uani 1 1 d . . . . .
C68 C 0.2961(5) 0.2492(3) 0.4325(3) 0.062(2) Uani 1 1 d . . . . .
H68 H 0.3426 0.2350 0.4077 0.075 Uiso 1 1 calc R U . . .
C69 C 0.2276(5) 0.2740(3) 0.4118(3) 0.061(2) Uani 1 1 d . . . . .
C70 C 0.1603(5) 0.2951(3) 0.4494(3) 0.0580(19) Uani 1 1 d . . . . .
H70 H 0.1141 0.3131 0.4357 0.070 Uiso 1 1 calc R U . . .
C71 C 0.1585(5) 0.2906(3) 0.5062(3) 0.0474(17) Uani 1 1 d . . . . .
C72 C 0.2311(5) 0.2677(3) 0.5226(3) 0.0487(17) Uani 1 1 d . . . . .
C73 C 0.0809(5) 0.3094(3) 0.5456(3) 0.0504(17) Uani 1 1 d . . . . .
H73A H 0.0549 0.3418 0.5252 0.060 Uiso 1 1 calc R U . . .
H73B H 0.0984 0.3208 0.5766 0.060 Uiso 1 1 calc R U . . .
C74 C 0.0148(4) 0.2623(3) 0.5700(3) 0.0452(16) Uani 1 1 d . . . . .
C75 C -0.0351(5) 0.2525(3) 0.5343(3) 0.0528(18) Uani 1 1 d . . . . .
H75 H -0.0296 0.2767 0.4988 0.063 Uiso 1 1 calc R U . . .
C76 C -0.0919(5) 0.2084(3) 0.5498(3) 0.0525(18) Uani 1 1 d . . . . .
C77 C -0.0977(4) 0.1737(3) 0.6026(3) 0.0473(17) Uani 1 1 d . . . . .
H77 H -0.1361 0.1432 0.6141 0.057 Uiso 1 1 calc R U . . .
C78 C -0.0494(4) 0.1820(3) 0.6392(3) 0.0448(16) Uani 1 1 d . . . . .
C79 C 0.0049(4) 0.2275(3) 0.6209(3) 0.0458(16) Uani 1 1 d . . . . .
C80 C -0.0551(4) 0.1405(3) 0.6944(3) 0.0433(16) Uani 1 1 d . . . . .
H80A H -0.1156 0.1296 0.7121 0.052 Uiso 1 1 calc R U . . .
H80B H -0.0342 0.1579 0.7205 0.052 Uiso 1 1 calc R U . . .
C81 C -0.0016(4) 0.0892(3) 0.6842(3) 0.0456(16) Uani 1 1 d . . . . .
C82 C -0.0374(5) 0.0460(3) 0.6700(3) 0.0505(17) Uani 1 1 d . . . . .
H82 H -0.0966 0.0474 0.6710 0.061 Uiso 1 1 calc R U . . .
C83 C 0.0111(5) -0.0002(3) 0.6542(3) 0.0555(19) Uani 1 1 d . . . . .
C84 C 0.0974(5) -0.0007(3) 0.6521(3) 0.058(2) Uani 1 1 d . . . . .
H84 H 0.1311 -0.0310 0.6413 0.070 Uiso 1 1 calc R U . . .
C85 C 0.1376(5) 0.0427(3) 0.6655(3) 0.0507(17) Uani 1 1 d . . . . .
C86 C 0.0845(4) 0.0847(3) 0.6837(3) 0.0461(17) Uani 1 1 d . . . . .
C87 C 0.2340(5) 0.0427(3) 0.6581(3) 0.0539(18) Uani 1 1 d . . . . .
H87A H 0.2542 0.0041 0.6669 0.065 Uiso 1 1 calc R U . . .
H87B H 0.2478 0.0628 0.6848 0.065 Uiso 1 1 calc R U . . .
C88 C 0.2804(4) 0.0700(3) 0.5980(3) 0.0482(17) Uani 1 1 d . . . . .
C89 C 0.2908(5) 0.0409(3) 0.5549(3) 0.0548(19) Uani 1 1 d . . . . .
H89 H 0.2725 0.0034 0.5644 0.066 Uiso 1 1 calc R U . . .
C90 C 0.3270(5) 0.0644(3) 0.4984(3) 0.0554(19) Uani 1 1 d . . . . .
C91 C 0.3550(5) 0.1183(3) 0.4862(3) 0.0546(19) Uani 1 1 d . . . . .
H91 H 0.3816 0.1348 0.4482 0.066 Uiso 1 1 calc R U . . .
C92 C 0.3457(4) 0.1500(3) 0.5278(3) 0.0502(17) Uani 1 1 d . . . . .
C93 C 0.3102(4) 0.1245(3) 0.5832(3) 0.0485(17) Uani 1 1 d . . . . .
C94 C 0.3696(4) 0.2114(3) 0.5084(3) 0.0494(17) Uani 1 1 d . . . . .
H94A H 0.3809 0.2253 0.5401 0.059 Uiso 1 1 calc R U . . .
H94B H 0.4227 0.2161 0.4777 0.059 Uiso 1 1 calc R U . . .
C95 C 0.2263(6) 0.2793(4) 0.3500(3) 0.0931(19) Uani 1 1 d D . . . .
C102 C -0.1438(7) 0.1985(5) 0.5114(4) 0.0954(16) Uani 1 1 d . . . . .
C103 C -0.2275(7) 0.2328(5) 0.5246(4) 0.0954(16) Uani 1 1 d . . . . .
H10A H -0.2157 0.2654 0.5377 0.143 Uiso 1 1 calc R U . . .
H10B H -0.2713 0.2099 0.5539 0.143 Uiso 1 1 calc R U . . .
H10C H -0.2481 0.2445 0.4904 0.143 Uiso 1 1 calc R U . . .
C104 C -0.1646(7) 0.1379(4) 0.5183(4) 0.0954(16) Uani 1 1 d . . . . .
H10D H -0.1116 0.1162 0.5147 0.143 Uiso 1 1 calc R U . . .
H10E H -0.1926 0.1336 0.4891 0.143 Uiso 1 1 calc R U . . .
H10F H -0.2031 0.1246 0.5555 0.143 Uiso 1 1 calc R U . . .
C105 C -0.1027(7) 0.2199(5) 0.4505(4) 0.0954(16) Uani 1 1 d . . . . .
H10G H -0.1069 0.2604 0.4419 0.143 Uiso 1 1 calc R U . . .
H10H H -0.1319 0.2044 0.4275 0.143 Uiso 1 1 calc R U . . .
H10I H -0.0422 0.2091 0.4423 0.143 Uiso 1 1 calc R U . . .
C106 C -0.0314(8) -0.0470(5) 0.6389(6) 0.113(2) Uani 1 1 d . . . . .
C107 C -0.0637(7) -0.0226(5) 0.5852(6) 0.113(2) Uani 1 1 d . . . . .
H10J H -0.0944 0.0121 0.5896 0.170 Uiso 1 1 calc R U . . .
H10K H -0.1024 -0.0491 0.5800 0.170 Uiso 1 1 calc R U . . .
H10L H -0.0146 -0.0153 0.5523 0.170 Uiso 1 1 calc R U . . .
C108 C -0.1118(7) -0.0657(5) 0.6822(6) 0.113(2) Uani 1 1 d . . . . .
H10M H -0.0987 -0.0793 0.7188 0.170 Uiso 1 1 calc R U . . .
H10N H -0.1378 -0.0954 0.6718 0.170 Uiso 1 1 calc R U . . .
H10O H -0.1517 -0.0345 0.6846 0.170 Uiso 1 1 calc R U . . .
C109 C 0.0227(7) -0.0976(4) 0.6348(6) 0.113(2) Uani 1 1 d . . . . .
H10P H 0.0754 -0.0881 0.6050 0.170 Uiso 1 1 calc R U . . .
H10Q H -0.0091 -0.1257 0.6258 0.170 Uiso 1 1 calc R U . . .
H10R H 0.0371 -0.1122 0.6707 0.170 Uiso 1 1 calc R U . . .
C110 C 0.3362(5) 0.0326(3) 0.4507(3) 0.065(2) Uani 1 1 d . . . . .
C111 C 0.3118(7) 0.0692(4) 0.3997(4) 0.089(3) Uani 1 1 d . . . . .
H11A H 0.2522 0.0812 0.4108 0.134 Uiso 1 1 calc R U . . .
H11B H 0.3180 0.0481 0.3701 0.134 Uiso 1 1 calc R U . . .
H11C H 0.3495 0.1016 0.3857 0.134 Uiso 1 1 calc R U . . .
C112 C 0.2796(6) -0.0197(4) 0.4709(4) 0.084(3) Uani 1 1 d . . . . .
H11D H 0.2997 -0.0453 0.5006 0.125 Uiso 1 1 calc R U . . .
H11E H 0.2830 -0.0377 0.4393 0.125 Uiso 1 1 calc R U . . .
H11F H 0.2200 -0.0093 0.4857 0.125 Uiso 1 1 calc R U . . .
C113 C 0.4306(5) 0.0158(4) 0.4323(4) 0.079(3) Uani 1 1 d . . . . .
H11G H 0.4675 0.0477 0.4272 0.118 Uiso 1 1 calc R U . . .
H11H H 0.4406 0.0033 0.3968 0.118 Uiso 1 1 calc R U . . .
H11I H 0.4439 -0.0142 0.4613 0.118 Uiso 1 1 calc R U . . .
C114 C 0.4386(4) 0.3354(3) 0.5871(3) 0.0511(18) Uani 1 1 d . . . . .
H11J H 0.4317 0.3271 0.6283 0.061 Uiso 1 1 calc R U . . .
H11K H 0.4347 0.3759 0.5739 0.061 Uiso 1 1 calc R U . . .
C115 C 0.5232(5) 0.3135(4) 0.5573(4) 0.074(2) Uani 1 1 d . . . . .
H11L H 0.5288 0.3224 0.5166 0.111 Uiso 1 1 calc R U . . .
H11M H 0.5251 0.2733 0.5703 0.111 Uiso 1 1 calc R U . . .
H11N H 0.5703 0.3306 0.5658 0.111 Uiso 1 1 calc R U . . .
C116 C 0.2914(6) 0.3954(3) 0.5045(3) 0.062(2) Uani 1 1 d . . . . .
H11O H 0.3007 0.3668 0.4816 0.075 Uiso 1 1 calc R U . . .
H11P H 0.3477 0.4110 0.5023 0.075 Uiso 1 1 calc R U . . .
C117 C 0.2350(7) 0.4396(4) 0.4836(4) 0.097(3) Uani 1 1 d . . . . .
H11Q H 0.2510 0.4481 0.4424 0.145 Uiso 1 1 calc R U . . .
H11R H 0.2414 0.4728 0.4975 0.145 Uiso 1 1 calc R U . . .
H11S H 0.1753 0.4270 0.4972 0.145 Uiso 1 1 calc R U . . .
C118 C 0.0479(5) 0.3819(3) 0.6866(3) 0.0541(18) Uani 1 1 d . . . . .
H11T H 0.1028 0.3800 0.6975 0.065 Uiso 1 1 calc R U . . .
H11U H 0.0009 0.3853 0.7198 0.065 Uiso 1 1 calc R U . . .
C119 C 0.0479(6) 0.4298(3) 0.6408(4) 0.072(2) Uani 1 1 d . . . . .
H11V H 0.0935 0.4256 0.6077 0.108 Uiso 1 1 calc R U . . .
H11W H 0.0579 0.4636 0.6527 0.108 Uiso 1 1 calc R U . . .
H11X H -0.0076 0.4323 0.6313 0.108 Uiso 1 1 calc R U . . .
C120 C -0.1363(5) 0.2825(3) 0.7249(3) 0.063(2) Uani 1 1 d . . . . .
H12A H -0.1353 0.3233 0.7181 0.075 Uiso 1 1 calc R U . . .
H12B H -0.1404 0.2716 0.6899 0.075 Uiso 1 1 calc R U . . .
C121 C -0.2104(6) 0.2607(5) 0.7712(4) 0.099(3) Uani 1 1 d . . . . .
H12C H -0.2627 0.2788 0.7634 0.148 Uiso 1 1 calc R U . . .
H12D H -0.2027 0.2681 0.8064 0.148 Uiso 1 1 calc R U . . .
H12E H -0.2150 0.2207 0.7746 0.148 Uiso 1 1 calc R U . . .
C122 C 0.0090(5) 0.1471(4) 0.8497(3) 0.062(2) Uani 1 1 d . . . . .
H12F H 0.0357 0.1821 0.8500 0.074 Uiso 1 1 calc R U . . .
H12G H 0.0279 0.1170 0.8769 0.074 Uiso 1 1 calc R U . . .
C123 C -0.0877(5) 0.1520(4) 0.8651(4) 0.080(3) Uani 1 1 d . . . . .
H12H H -0.1059 0.1782 0.8351 0.120 Uiso 1 1 calc R U . . .
H12I H -0.1065 0.1652 0.9003 0.120 Uiso 1 1 calc R U . . .
H12J H -0.1133 0.1157 0.8698 0.120 Uiso 1 1 calc R U . . .
C124 C 0.0933(7) 0.0182(4) 0.8119(4) 0.092(2) Uani 1 1 d . . . . .
H12K H 0.0592 0.0211 0.8499 0.111 Uiso 1 1 calc R U . . .
H12L H 0.0535 0.0190 0.7876 0.111 Uiso 1 1 calc R U . . .
C125 C 0.1408(7) -0.0323(4) 0.8146(4) 0.092(2) Uani 1 1 d . . . . .
H12M H 0.1774 -0.0336 0.7773 0.138 Uiso 1 1 calc R U . . .
H12N H 0.1010 -0.0637 0.8273 0.138 Uiso 1 1 calc R U . . .
H12O H 0.1765 -0.0341 0.8412 0.138 Uiso 1 1 calc R U . . .
C126 C 0.3985(5) 0.0976(3) 0.7478(3) 0.062(2) Uani 1 1 d . . . . .
H12P H 0.3702 0.1202 0.7754 0.074 Uiso 1 1 calc R U . . .
H12Q H 0.4603 0.1070 0.7351 0.074 Uiso 1 1 calc R U . . .
C127 C 0.3859(6) 0.0359(3) 0.7741(4) 0.077(2) Uani 1 1 d . . . . .
H12R H 0.4123 0.0142 0.7459 0.116 Uiso 1 1 calc R U . . .
H12S H 0.3245 0.0275 0.7876 0.116 Uiso 1 1 calc R U . . .
H12T H 0.4127 0.0265 0.8058 0.116 Uiso 1 1 calc R U . . .
C128 C 0.5108(7) 0.1258(4) 0.6025(4) 0.093(2) Uani 1 1 d . . . . .
H12U H 0.5465 0.1123 0.6293 0.112 Uiso 1 1 calc R U . . .
H12V H 0.4750 0.0949 0.6017 0.112 Uiso 1 1 calc R U . . .
C129 C 0.5664(6) 0.1488(4) 0.5445(4) 0.093(2) Uani 1 1 d . . . . .
H12W H 0.5311 0.1556 0.5172 0.140 Uiso 1 1 calc R U . . .
H12X H 0.6114 0.1221 0.5341 0.140 Uiso 1 1 calc R U . . .
H12Y H 0.5926 0.1836 0.5445 0.140 Uiso 1 1 calc R U . . .
C30 C 0.4697(11) 0.5622(10) 0.9206(9) 0.105(3) Uani 0.5 1 d D . P A 1
H30A H 0.4534 0.5292 0.9505 0.158 Uiso 0.5 1 calc R U P A 1
H30B H 0.4976 0.5889 0.9341 0.158 Uiso 0.5 1 calc R U P A 1
H30C H 0.4184 0.5790 0.9099 0.158 Uiso 0.5 1 calc R U P A 1
C32 C 0.5578(13) 0.5969(7) 0.8225(8) 0.105(3) Uani 0.5 1 d D . P A 1
H32A H 0.5975 0.5863 0.7898 0.158 Uiso 0.5 1 calc R U P A 1
H32B H 0.5065 0.6136 0.8117 0.158 Uiso 0.5 1 calc R U P A 1
H32C H 0.5857 0.6236 0.8359 0.158 Uiso 0.5 1 calc R U P A 1
C34 C 0.6107(11) 0.5231(8) 0.8918(10) 0.105(3) Uani 0.5 1 d D . P A 1
H34A H 0.5937 0.4902 0.9217 0.158 Uiso 0.5 1 calc R U P A 1
H34B H 0.6560 0.5133 0.8612 0.158 Uiso 0.5 1 calc R U P A 1
H34C H 0.6319 0.5516 0.9068 0.158 Uiso 0.5 1 calc R U P A 1
C42 C 0.226(2) 0.3165(8) 1.1529(9) 0.123(3) Uani 0.5 1 d D . P B 1
H42A H 0.2247 0.3175 1.1918 0.184 Uiso 0.5 1 calc R U P B 1
H42B H 0.2783 0.3345 1.1277 0.184 Uiso 0.5 1 calc R U P B 1
H42C H 0.1759 0.3360 1.1429 0.184 Uiso 0.5 1 calc R U P B 1
C44 C 0.2816(18) 0.2117(10) 1.1716(9) 0.123(3) Uani 0.5 1 d D . P B 1
H44A H 0.2777 0.2132 1.2108 0.184 Uiso 0.5 1 calc R U P B 1
H44B H 0.2624 0.1752 1.1700 0.184 Uiso 0.5 1 calc R U P B 1
H44C H 0.3411 0.2178 1.1496 0.184 Uiso 0.5 1 calc R U P B 1
C46 C 0.1378(15) 0.2283(11) 1.1841(7) 0.123(3) Uani 0.5 1 d D . P B 1
H46A H 0.1340 0.2271 1.2238 0.184 Uiso 0.5 1 calc R U P B 1
H46B H 0.0895 0.2495 1.1733 0.184 Uiso 0.5 1 calc R U P B 1
H46C H 0.1360 0.1906 1.1781 0.184 Uiso 0.5 1 calc R U P B 1
C96 C 0.2223(10) 0.3413(5) 0.3221(5) 0.0931(19) Uani 0.75 1 d D . P C 1
H96A H 0.2214 0.3448 0.2826 0.140 Uiso 0.75 1 calc R U P C 1
H96B H 0.1702 0.3578 0.3419 0.140 Uiso 0.75 1 calc R U P C 1
H96C H 0.2726 0.3606 0.3240 0.140 Uiso 0.75 1 calc R U P C 1
C98 C 0.1508(9) 0.2454(7) 0.3474(5) 0.0931(19) Uani 0.75 1 d D . P C 1
H98A H 0.1495 0.2486 0.3081 0.140 Uiso 0.75 1 calc R U P C 1
H98B H 0.1578 0.2065 0.3644 0.140 Uiso 0.75 1 calc R U P C 1
H98C H 0.0970 0.2595 0.3680 0.140 Uiso 0.75 1 calc R U P C 1
C100 C 0.3087(8) 0.2560(7) 0.3149(5) 0.0931(19) Uani 0.75 1 d D . P C 1
H10S H 0.3047 0.2604 0.2759 0.140 Uiso 0.75 1 calc R U P C 1
H10T H 0.3588 0.2763 0.3156 0.140 Uiso 0.75 1 calc R U P C 1
H10U H 0.3145 0.2167 0.3310 0.140 Uiso 0.75 1 calc R U P C 1
C31 C 0.4796(11) 0.5996(8) 0.8687(11) 0.105(3) Uani 0.5 1 d D . P A 2
H31A H 0.4723 0.6144 0.8308 0.158 Uiso 0.5 1 calc R U P A 2
H31B H 0.4233 0.5919 0.8952 0.158 Uiso 0.5 1 calc R U P A 2
H31C H 0.5098 0.6269 0.8801 0.158 Uiso 0.5 1 calc R U P A 2
C33 C 0.6175(11) 0.5650(9) 0.8238(9) 0.105(3) Uani 0.5 1 d D . P A 2
H33A H 0.6044 0.5823 0.7880 0.158 Uiso 0.5 1 calc R U P A 2
H33B H 0.6466 0.5919 0.8363 0.158 Uiso 0.5 1 calc R U P A 2
H33C H 0.6548 0.5330 0.8189 0.158 Uiso 0.5 1 calc R U P A 2
C35 C 0.5481(13) 0.5189(8) 0.9251(8) 0.105(3) Uani 0.5 1 d D . P A 2
H35A H 0.5818 0.4852 0.9216 0.158 Uiso 0.5 1 calc R U P A 2
H35B H 0.5796 0.5445 0.9375 0.158 Uiso 0.5 1 calc R U P A 2
H35C H 0.4931 0.5095 0.9526 0.158 Uiso 0.5 1 calc R U P A 2
C41 C 0.1583(17) 0.2969(10) 1.1756(8) 0.123(3) Uani 0.5 1 d D . P B 2
H41A H 0.1617 0.2936 1.2146 0.184 Uiso 0.5 1 calc R U P B 2
H41B H 0.1716 0.3351 1.1549 0.184 Uiso 0.5 1 calc R U P B 2
H41C H 0.1003 0.2874 1.1753 0.184 Uiso 0.5 1 calc R U P B 2
C43 C 0.3147(14) 0.2827(11) 1.1433(8) 0.123(3) Uani 0.5 1 d D . P B 2
H43A H 0.3192 0.2839 1.1812 0.184 Uiso 0.5 1 calc R U P B 2
H43B H 0.3609 0.2598 1.1261 0.184 Uiso 0.5 1 calc R U P B 2
H43C H 0.3195 0.3203 1.1203 0.184 Uiso 0.5 1 calc R U P B 2
C45 C 0.220(2) 0.1990(8) 1.1814(8) 0.123(3) Uani 0.5 1 d D . P B 2
H45A H 0.2186 0.2001 1.2203 0.184 Uiso 0.5 1 calc R U P B 2
H45B H 0.1677 0.1809 1.1806 0.184 Uiso 0.5 1 calc R U P B 2
H45C H 0.2701 0.1782 1.1657 0.184 Uiso 0.5 1 calc R U P B 2
C97 C 0.146(2) 0.3099(18) 0.3348(14) 0.0931(19) Uani 0.25 1 d D . P C 2
H97A H 0.0944 0.2923 0.3609 0.140 Uiso 0.25 1 calc R U P C 2
H97B H 0.1480 0.3487 0.3378 0.140 Uiso 0.25 1 calc R U P C 2
H97C H 0.1462 0.3082 0.2963 0.140 Uiso 0.25 1 calc R U P C 2
C99 C 0.214(3) 0.2203(10) 0.3410(15) 0.0931(19) Uani 0.25 1 d D . P C 2
H99A H 0.1616 0.2039 0.3672 0.140 Uiso 0.25 1 calc R U P C 2
H99B H 0.2108 0.2225 0.3023 0.140 Uiso 0.25 1 calc R U P C 2
H99C H 0.2634 0.1972 0.3479 0.140 Uiso 0.25 1 calc R U P C 2
C101 C 0.308(2) 0.306(2) 0.3097(12) 0.0931(19) Uani 0.25 1 d D . P C 2
H10V H 0.3053 0.3091 0.2708 0.140 Uiso 0.25 1 calc R U P C 2
H10W H 0.3144 0.3434 0.3161 0.140 Uiso 0.25 1 calc R U P C 2
H10X H 0.3579 0.2838 0.3164 0.140 Uiso 0.25 1 calc R U P C 2
S1 S 0.68503(15) 0.08109(10) 0.70753(11) 0.0794(6) Uani 1 1 d . . . . .
F1 F 0.6906(5) -0.0234(3) 0.7553(3) 0.140(3) Uani 1 1 d . . . . .
F2 F 0.5861(4) -0.0004(3) 0.7142(3) 0.124(2) Uani 1 1 d . . . . .
F3 F 0.5820(4) 0.0210(3) 0.7954(2) 0.115(2) Uani 1 1 d . . . . .
O33 O 0.6177(4) 0.1186(3) 0.7008(3) 0.095(2) Uani 1 1 d . . . . .
O34 O 0.7294(4) 0.0943(4) 0.7473(3) 0.119(3) Uani 1 1 d . . . . .
O35 O 0.7435(4) 0.0687(3) 0.6584(3) 0.0826(17) Uani 1 1 d . . . . .
C130 C 0.6347(8) 0.0174(5) 0.7432(4) 0.094(3) Uani 1 1 d . . . . .
S2 S -0.20137(15) 0.42790(11) 0.78306(12) 0.0811(7) Uani 1 1 d . . . . .
F4 F -0.1535(7) 0.5033(4) 0.6941(5) 0.185(2) Uani 1 1 d . . . . .
F5 F -0.1778(7) 0.5326(4) 0.7652(5) 0.185(2) Uani 1 1 d . . . . .
F6 F -0.2795(7) 0.5107(4) 0.7325(5) 0.185(2) Uani 1 1 d . . . . .
O36 O -0.1138(5) 0.4173(4) 0.7808(4) 0.1333(18) Uani 1 1 d . . . . .
O37 O -0.2568(5) 0.4316(4) 0.8360(4) 0.1333(18) Uani 1 1 d . . . . .
O38 O -0.2411(5) 0.3949(4) 0.7539(4) 0.1333(18) Uani 1 1 d . . . . .
C131 C -0.2020(10) 0.4892(8) 0.7405(7) 0.153(7) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O7 2.402(4) . ?
Dy1 O10 2.383(5) . ?
Dy1 O13 2.361(4) . ?
Dy1 O16 2.395(4) . ?
Dy1 O23 2.382(4) . ?
Dy1 O26 2.374(4) . ?
Dy1 O29 2.395(4) . ?
Dy1 O32 2.380(4) . ?
P1 O1 1.560(4) . ?
P1 O5 1.564(5) . ?
P1 O6 1.578(5) . ?
P1 O7 1.465(4) . ?
P2 O2 1.569(4) . ?
P2 O8 1.561(5) . ?
P2 O9 1.581(5) . ?
P2 O10 1.478(5) . ?
P3 O3 1.573(4) . ?
P3 O11 1.565(6) . ?
P3 O12 1.575(5) . ?
P3 O13 1.470(5) . ?
P4 O4 1.544(5) . ?
P4 O14 1.571(5) . ?
P4 O15 1.566(5) . ?
P4 O16 1.470(4) . ?
P5 O17 1.576(4) . ?
P5 O21 1.562(5) . ?
P5 O22 1.565(5) . ?
P5 O23 1.474(4) . ?
P6 O18 1.568(4) . ?
P6 O24 1.548(5) . ?
P6 O25 1.576(5) . ?
P6 O26 1.470(5) . ?
P7 O19 1.574(4) . ?
P7 O27 1.566(5) . ?
P7 O28 1.565(5) . ?
P7 O29 1.473(5) . ?
P8 O20 1.568(4) . ?
P8 O30 1.545(5) . ?
P8 O31 1.569(5) . ?
P8 O32 1.481(4) . ?
O1 C6 1.444(7) . ?
O2 C13 1.409(8) . ?
O3 C20 1.403(8) . ?
O4 C27 1.447(7) . ?
O5 C51 1.469(8) . ?
O6 C53 1.490(8) . ?
O8 C55 1.487(8) . ?
O9 C57 1.465(10) . ?
O11 C59 1.475(8) . ?
O12 C61 1.461(11) . ?
O14 C63 1.470(8) . ?
O15 C65 1.500(8) . ?
O17 C72 1.417(7) . ?
O18 C79 1.443(7) . ?
O19 C86 1.433(7) . ?
O20 C93 1.413(7) . ?
O21 C114 1.487(7) . ?
O22 C116 1.486(8) . ?
O24 C118 1.454(7) . ?
O25 C120 1.479(9) . ?
O27 C122 1.465(8) . ?
O28 C124 1.487(10) . ?
O30 C126 1.470(8) . ?
O31 C128 1.512(10) . ?
C1 C2 1.386(9) . ?
C1 C6 1.378(10) . ?
C1 C28 1.516(10) . ?
C2 H2 0.9500 . ?
C2 C3 1.392(11) . ?
C3 C4 1.403(12) . ?
C3 C29 1.530(10) . ?
C4 H4 0.9500 . ?
C4 C5 1.419(9) . ?
C5 C6 1.380(10) . ?
C5 C7 1.524(10) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C8 1.491(10) . ?
C8 C9 1.413(10) . ?
C8 C13 1.401(10) . ?
C9 H9 0.9500 . ?
C9 C10 1.369(12) . ?
C10 C11 1.410(11) . ?
C10 C36 1.572(11) . ?
C11 H11 0.9500 . ?
C11 C12 1.373(10) . ?
C12 C13 1.397(10) . ?
C12 C14 1.516(10) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.539(11) . ?
C15 C16 1.395(10) . ?
C15 C20 1.403(11) . ?
C16 H16 0.9500 . ?
C16 C17 1.388(13) . ?
C17 C18 1.410(13) . ?
C17 C40 1.488(12) . ?
C18 H18 0.9500 . ?
C18 C19 1.397(10) . ?
C19 C20 1.410(11) . ?
C19 C21 1.520(11) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.518(10) . ?
C22 C23 1.390(9) . ?
C22 C27 1.393(10) . ?
C23 H23 0.9500 . ?
C23 C24 1.406(11) . ?
C24 C25 1.368(11) . ?
C24 C47 1.540(11) . ?
C25 H25 0.9500 . ?
C25 C26 1.418(9) . ?
C26 C27 1.408(10) . ?
C26 C28 1.523(10) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.544(15) . ?
C29 C32 1.522(16) . ?
C29 C34 1.547(16) . ?
C29 C31 1.544(16) . ?
C29 C33 1.564(16) . ?
C29 C35 1.501(16) . ?
C36 C37 1.522(13) . ?
C36 C38 1.449(13) . ?
C36 C39 1.578(16) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C42 1.519(16) . ?
C40 C44 1.539(17) . ?
C40 C46 1.571(17) . ?
C40 C41 1.562(17) . ?
C40 C43 1.598(17) . ?
C40 C45 1.498(17) . ?
C47 C48 1.512(16) . ?
C47 C49 1.559(17) . ?
C47 C50 1.507(15) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C51 C52 1.457(11) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C53 C54 1.487(13) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C55 C56 1.487(10) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C57 C58 1.441(14) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C59 C60 1.458(13) . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C61 C62 1.475(16) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C63 C64 1.491(11) . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C65 C66 1.450(12) . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 C68 1.390(10) . ?
C67 C72 1.388(10) . ?
C67 C94 1.509(10) . ?
C68 H68 0.9500 . ?
C68 C69 1.398(12) . ?
C69 C70 1.405(11) . ?
C69 C95 1.537(10) . ?
C70 H70 0.9500 . ?
C70 C71 1.401(9) . ?
C71 C72 1.394(10) . ?
C71 C73 1.507(10) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C73 C74 1.539(9) . ?
C74 C75 1.412(9) . ?
C74 C79 1.358(9) . ?
C75 H75 0.9500 . ?
C75 C76 1.389(10) . ?
C76 C77 1.401(10) . ?
C76 C102 1.493(11) . ?
C77 H77 0.9500 . ?
C77 C78 1.399(9) . ?
C78 C79 1.389(9) . ?
C78 C80 1.524(10) . ?
C80 H80A 0.9900 . ?
C80 H80B 0.9900 . ?
C80 C81 1.528(9) . ?
C81 C82 1.393(9) . ?
C81 C86 1.385(10) . ?
C82 H82 0.9500 . ?
C82 C83 1.421(10) . ?
C83 C84 1.379(11) . ?
C83 C106 1.540(11) . ?
C84 H84 0.9500 . ?
C84 C85 1.426(9) . ?
C85 C86 1.391(10) . ?
C85 C87 1.519(10) . ?
C87 H87A 0.9900 . ?
C87 H87B 0.9900 . ?
C87 C88 1.530(10) . ?
C88 C89 1.396(9) . ?
C88 C93 1.397(9) . ?
C89 H89 0.9500 . ?
C89 C90 1.398(11) . ?
C90 C91 1.377(10) . ?
C90 C110 1.545(9) . ?
C91 H91 0.9500 . ?
C91 C92 1.411(9) . ?
C92 C93 1.385(10) . ?
C92 C94 1.533(10) . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C95 C96 1.550(13) . ?
C95 C98 1.538(13) . ?
C95 C100 1.555(13) . ?
C95 C97 1.551(19) . ?
C95 C99 1.555(19) . ?
C95 C101 1.532(19) . ?
C102 C103 1.558(15) . ?
C102 C104 1.519(14) . ?
C102 C105 1.495(14) . ?
C103 H10A 0.9800 . ?
C103 H10B 0.9800 . ?
C103 H10C 0.9800 . ?
C104 H10D 0.9800 . ?
C104 H10E 0.9800 . ?
C104 H10F 0.9800 . ?
C105 H10G 0.9800 . ?
C105 H10H 0.9800 . ?
C105 H10I 0.9800 . ?
C106 C107 1.561(18) . ?
C106 C108 1.486(16) . ?
C106 C109 1.495(16) . ?
C107 H10J 0.9800 . ?
C107 H10K 0.9800 . ?
C107 H10L 0.9800 . ?
C108 H10M 0.9800 . ?
C108 H10N 0.9800 . ?
C108 H10O 0.9800 . ?
C109 H10P 0.9800 . ?
C109 H10Q 0.9800 . ?
C109 H10R 0.9800 . ?
C110 C111 1.529(13) . ?
C110 C112 1.541(12) . ?
C110 C113 1.537(12) . ?
C111 H11A 0.9800 . ?
C111 H11B 0.9800 . ?
C111 H11C 0.9800 . ?
C112 H11D 0.9800 . ?
C112 H11E 0.9800 . ?
C112 H11F 0.9800 . ?
C113 H11G 0.9800 . ?
C113 H11H 0.9800 . ?
C113 H11I 0.9800 . ?
C114 H11J 0.9900 . ?
C114 H11K 0.9900 . ?
C114 C115 1.514(10) . ?
C115 H11L 0.9800 . ?
C115 H11M 0.9800 . ?
C115 H11N 0.9800 . ?
C116 H11O 0.9900 . ?
C116 H11P 0.9900 . ?
C116 C117 1.480(13) . ?
C117 H11Q 0.9800 . ?
C117 H11R 0.9800 . ?
C117 H11S 0.9800 . ?
C118 H11T 0.9900 . ?
C118 H11U 0.9900 . ?
C118 C119 1.465(11) . ?
C119 H11V 0.9800 . ?
C119 H11W 0.9800 . ?
C119 H11X 0.9800 . ?
C120 H12A 0.9900 . ?
C120 H12B 0.9900 . ?
C120 C121 1.471(12) . ?
C121 H12C 0.9800 . ?
C121 H12D 0.9800 . ?
C121 H12E 0.9800 . ?
C122 H12F 0.9900 . ?
C122 H12G 0.9900 . ?
C122 C123 1.514(12) . ?
C123 H12H 0.9800 . ?
C123 H12I 0.9800 . ?
C123 H12J 0.9800 . ?
C124 H12K 0.9900 . ?
C124 H12L 0.9900 . ?
C124 C125 1.428(14) . ?
C125 H12M 0.9800 . ?
C125 H12N 0.9800 . ?
C125 H12O 0.9800 . ?
C126 H12P 0.9900 . ?
C126 H12Q 0.9900 . ?
C126 C127 1.531(11) . ?
C127 H12R 0.9800 . ?
C127 H12S 0.9800 . ?
C127 H12T 0.9800 . ?
C128 H12U 0.9900 . ?
C128 H12V 0.9900 . ?
C128 C129 1.513(13) . ?
C129 H12W 0.9800 . ?
C129 H12X 0.9800 . ?
C129 H12Y 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C96 H96C 0.9800 . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
C100 H10S 0.9800 . ?
C100 H10T 0.9800 . ?
C100 H10U 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C97 H97A 0.9800 . ?
C97 H97B 0.9800 . ?
C97 H97C 0.9800 . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
C101 H10V 0.9800 . ?
C101 H10W 0.9800 . ?
C101 H10X 0.9800 . ?
S1 O33 1.410(7) . ?
S1 O34 1.466(7) . ?
S1 O35 1.432(6) . ?
S1 C130 1.762(12) . ?
F1 C130 1.355(12) . ?
F2 C130 1.345(12) . ?
F3 C130 1.388(11) . ?
S2 O36 1.413(8) . ?
S2 O37 1.421(10) . ?
S2 O38 1.473(9) . ?
S2 C131 1.66(2) . ?
F4 C131 1.219(15) . ?
F5 C131 1.465(18) . ?
F6 C131 1.379(19) . ?

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
O10 Dy1 O7 71.90(15) . . ?
O10 Dy1 O16 113.19(15) . . ?
O10 Dy1 O23 134.15(15) . . ?
O10 Dy1 O29 85.61(15) . . ?
O13 Dy1 O7 112.55(14) . . ?
O13 Dy1 O10 73.30(15) . . ?
O13 Dy1 O16 72.33(15) . . ?
O13 Dy1 O23 150.34(16) . . ?
O13 Dy1 O26 83.43(15) . . ?
O13 Dy1 O29 75.05(14) . . ?
O13 Dy1 O32 134.45(16) . . ?
O16 Dy1 O7 71.30(15) . . ?
O16 Dy1 O29 134.84(15) . . ?
O23 Dy1 O7 74.79(14) . . ?
O23 Dy1 O16 84.02(15) . . ?
O23 Dy1 O29 112.64(14) . . ?
O26 Dy1 O7 134.25(15) . . ?
O26 Dy1 O10 151.26(15) . . ?
O26 Dy1 O16 73.98(14) . . ?
O26 Dy1 O23 72.81(14) . . ?
O26 Dy1 O29 72.03(15) . . ?
O26 Dy1 O32 113.47(14) . . ?
O29 Dy1 O7 151.97(15) . . ?
O32 Dy1 O7 86.21(14) . . ?
O32 Dy1 O10 74.27(15) . . ?
O32 Dy1 O16 151.42(15) . . ?
O32 Dy1 O23 72.94(15) . . ?
O32 Dy1 O29 71.39(14) . . ?
O1 P1 O5 102.7(2) . . ?
O1 P1 O6 110.4(3) . . ?
O5 P1 O6 107.3(3) . . ?
O7 P1 O1 110.2(3) . . ?
O7 P1 O5 117.0(3) . . ?
O7 P1 O6 109.1(3) . . ?
O2 P2 O9 108.7(3) . . ?
O8 P2 O2 103.6(2) . . ?
O8 P2 O9 107.7(3) . . ?
O10 P2 O2 109.8(3) . . ?
O10 P2 O8 117.2(3) . . ?
O10 P2 O9 109.4(3) . . ?
O3 P3 O12 109.3(3) . . ?
O11 P3 O3 103.2(3) . . ?
O11 P3 O12 107.6(3) . . ?
O13 P3 O3 109.4(3) . . ?
O13 P3 O11 117.4(3) . . ?
O13 P3 O12 109.7(3) . . ?
O4 P4 O14 103.0(2) . . ?
O4 P4 O15 110.4(2) . . ?
O15 P4 O14 108.1(3) . . ?
O16 P4 O4 109.8(3) . . ?
O16 P4 O14 117.6(3) . . ?
O16 P4 O15 107.8(3) . . ?
O21 P5 O17 103.3(2) . . ?
O21 P5 O22 107.9(3) . . ?
O22 P5 O17 109.0(2) . . ?
O23 P5 O17 109.6(2) . . ?
O23 P5 O21 117.4(3) . . ?
O23 P5 O22 109.3(3) . . ?
O18 P6 O25 109.8(2) . . ?
O24 P6 O18 104.3(2) . . ?
O24 P6 O25 107.5(3) . . ?
O26 P6 O18 108.9(3) . . ?
O26 P6 O24 116.8(3) . . ?
O26 P6 O25 109.3(3) . . ?
O27 P7 O19 103.3(2) . . ?
O27 P7 O28 108.1(3) . . ?
O28 P7 O19 108.9(3) . . ?
O29 P7 O19 109.5(2) . . ?
O29 P7 O27 117.5(2) . . ?
O29 P7 O28 109.2(3) . . ?
O30 P8 O20 102.4(2) . . ?
O30 P8 O31 108.5(3) . . ?
O31 P8 O20 110.0(2) . . ?
O32 P8 O20 109.8(3) . . ?
O32 P8 O30 117.5(3) . . ?
O32 P8 O31 108.5(3) . . ?
C6 O1 P1 125.1(4) . . ?
C13 O2 P2 124.7(4) . . ?
C20 O3 P3 123.8(4) . . ?
C27 O4 P4 127.2(4) . . ?
C51 O5 P1 121.6(4) . . ?
C53 O6 P1 123.1(5) . . ?
P1 O7 Dy1 150.7(3) . . ?
C55 O8 P2 122.1(4) . . ?
C57 O9 P2 123.5(5) . . ?
P2 O10 Dy1 145.9(3) . . ?
C59 O11 P3 124.2(5) . . ?
C61 O12 P3 125.0(6) . . ?
P3 O13 Dy1 148.4(3) . . ?
C63 O14 P4 123.3(4) . . ?
C65 O15 P4 124.9(4) . . ?
P4 O16 Dy1 151.8(3) . . ?
C72 O17 P5 122.0(4) . . ?
C79 O18 P6 126.6(4) . . ?
C86 O19 P7 123.9(4) . . ?
C93 O20 P8 126.3(4) . . ?
C114 O21 P5 122.5(4) . . ?
C116 O22 P5 122.8(5) . . ?
P5 O23 Dy1 146.6(3) . . ?
C118 O24 P6 125.0(4) . . ?
C120 O25 P6 124.5(5) . . ?
P6 O26 Dy1 151.4(3) . . ?
C122 O27 P7 122.9(4) . . ?
C124 O28 P7 123.8(5) . . ?
P7 O29 Dy1 149.9(3) . . ?
C126 O30 P8 123.3(4) . . ?
C128 O31 P8 122.2(5) . . ?
P8 O32 Dy1 148.5(3) . . ?
C2 C1 C6 116.9(7) . . ?
C2 C1 C28 118.6(6) . . ?
C6 C1 C28 124.4(6) . . ?
C1 C2 H2 118.1 . . ?
C1 C2 C3 123.8(7) . . ?
C3 C2 H2 118.1 . . ?
C2 C3 C4 116.3(6) . . ?
C2 C3 C29 121.3(7) . . ?
C4 C3 C29 122.2(7) . . ?
C3 C4 H4 118.9 . . ?
C3 C4 C5 122.3(7) . . ?
C5 C4 H4 118.9 . . ?
C4 C5 C7 118.8(7) . . ?
C6 C5 C4 116.4(7) . . ?
C6 C5 C7 124.6(6) . . ?
C1 C6 O1 119.3(6) . . ?
C5 C6 O1 116.5(6) . . ?
C5 C6 C1 124.1(6) . . ?
C5 C7 H7A 108.8 . . ?
C5 C7 H7B 108.8 . . ?
H7A C7 H7B 107.7 . . ?
C8 C7 C5 113.6(6) . . ?
C8 C7 H7A 108.8 . . ?
C8 C7 H7B 108.8 . . ?
C9 C8 C7 119.3(7) . . ?
C13 C8 C7 124.2(6) . . ?
C13 C8 C9 116.4(7) . . ?
C8 C9 H9 118.7 . . ?
C10 C9 C8 122.5(7) . . ?
C10 C9 H9 118.7 . . ?
C9 C10 C11 118.2(7) . . ?
C9 C10 C36 121.3(7) . . ?
C11 C10 C36 120.4(8) . . ?
C10 C11 H11 118.9 . . ?
C12 C11 C10 122.2(8) . . ?
C12 C11 H11 118.9 . . ?
C11 C12 C13 117.6(7) . . ?
C11 C12 C14 119.7(7) . . ?
C13 C12 C14 122.7(6) . . ?
C8 C13 O2 120.0(6) . . ?
C12 C13 O2 117.0(6) . . ?
C12 C13 C8 122.8(6) . . ?
C12 C14 H14A 109.4 . . ?
C12 C14 H14B 109.4 . . ?
C12 C14 C15 111.1(6) . . ?
H14A C14 H14B 108.0 . . ?
C15 C14 H14A 109.4 . . ?
C15 C14 H14B 109.4 . . ?
C16 C15 C14 120.3(8) . . ?
C16 C15 C20 116.6(8) . . ?
C20 C15 C14 122.8(6) . . ?
C15 C16 H16 117.9 . . ?
C17 C16 C15 124.1(9) . . ?
C17 C16 H16 117.9 . . ?
C16 C17 C18 116.5(7) . . ?
C16 C17 C40 122.2(9) . . ?
C18 C17 C40 121.3(9) . . ?
C17 C18 H18 118.5 . . ?
C19 C18 C17 123.0(8) . . ?
C19 C18 H18 118.5 . . ?
C18 C19 C20 116.9(8) . . ?
C18 C19 C21 120.4(7) . . ?
C20 C19 C21 122.7(6) . . ?
O3 C20 C15 119.5(7) . . ?
O3 C20 C19 117.7(7) . . ?
C19 C20 C15 122.7(6) . . ?
C19 C21 H21A 110.1 . . ?
C19 C21 H21B 110.1 . . ?
H21A C21 H21B 108.4 . . ?
C22 C21 C19 108.0(6) . . ?
C22 C21 H21A 110.1 . . ?
C22 C21 H21B 110.1 . . ?
C23 C22 C21 119.4(6) . . ?
C27 C22 C21 124.1(6) . . ?
C27 C22 C23 116.4(7) . . ?
C22 C23 H23 118.6 . . ?
C22 C23 C24 122.9(7) . . ?
C24 C23 H23 118.6 . . ?
C23 C24 C47 120.5(8) . . ?
C25 C24 C23 117.7(6) . . ?
C25 C24 C47 121.8(8) . . ?
C24 C25 H25 118.2 . . ?
C24 C25 C26 123.5(7) . . ?
C26 C25 H25 118.3 . . ?
C25 C26 C28 121.2(6) . . ?
C27 C26 C25 115.1(6) . . ?
C27 C26 C28 123.6(5) . . ?
C22 C27 O4 118.9(6) . . ?
C22 C27 C26 124.2(6) . . ?
C26 C27 O4 116.6(6) . . ?
C1 C28 C26 108.9(6) . . ?
C1 C28 H28A 109.9 . . ?
C1 C28 H28B 109.9 . . ?
C26 C28 H28A 109.9 . . ?
C26 C28 H28B 109.9 . . ?
H28A C28 H28B 108.3 . . ?
C3 C29 C34 112.9(9) . . ?
C3 C29 C33 107.9(9) . . ?
C30 C29 C3 109.8(9) . . ?
C30 C29 C34 103.1(14) . . ?
C32 C29 C3 111.0(10) . . ?
C32 C29 C30 109.6(14) . . ?
C32 C29 C34 110.1(13) . . ?
C31 C29 C3 112.0(9) . . ?
C31 C29 C33 102.7(14) . . ?
C35 C29 C3 107.3(10) . . ?
C35 C29 C31 114.6(14) . . ?
C35 C29 C33 112.1(13) . . ?
C10 C36 C39 106.8(8) . . ?
C37 C36 C10 110.3(7) . . ?
C37 C36 C39 107.7(10) . . ?
C38 C36 C10 112.6(8) . . ?
C38 C36 C37 111.6(9) . . ?
C38 C36 C39 107.7(10) . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C36 C38 H38A 109.5 . . ?
C36 C38 H38B 109.5 . . ?
C36 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C36 C39 H39A 109.5 . . ?
C36 C39 H39B 109.5 . . ?
C36 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C17 C40 C42 107.4(11) . . ?
C17 C40 C44 113.2(11) . . ?
C17 C40 C46 106.9(11) . . ?
C17 C40 C41 115.4(11) . . ?
C17 C40 C43 103.7(11) . . ?
C17 C40 C45 111.7(11) . . ?
C42 C40 C44 122.8(16) . . ?
C42 C40 C46 110.3(17) . . ?
C44 C40 C46 94.7(16) . . ?
C41 C40 C43 103.3(15) . . ?
C45 C40 C41 113.5(17) . . ?
C45 C40 C43 108.2(17) . . ?
C24 C47 C49 106.7(8) . . ?
C48 C47 C24 113.6(9) . . ?
C48 C47 C49 105.6(9) . . ?
C48 C47 C50 107.1(9) . . ?
C50 C47 C24 109.5(8) . . ?
C50 C47 C49 114.5(10) . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C47 C49 H49A 109.5 . . ?
C47 C49 H49B 109.5 . . ?
C47 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C47 C50 H50A 109.5 . . ?
C47 C50 H50B 109.5 . . ?
C47 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
O5 C51 H51A 110.2 . . ?
O5 C51 H51B 110.2 . . ?
H51A C51 H51B 108.5 . . ?
C52 C51 O5 107.6(6) . . ?
C52 C51 H51A 110.2 . . ?
C52 C51 H51B 110.2 . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
O6 C53 H53A 110.4 . . ?
O6 C53 H53B 110.4 . . ?
H53A C53 H53B 108.6 . . ?
C54 C53 O6 106.6(8) . . ?
C54 C53 H53A 110.4 . . ?
C54 C53 H53B 110.4 . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
O8 C55 H55A 110.5 . . ?
O8 C55 H55B 110.5 . . ?
H55A C55 H55B 108.7 . . ?
C56 C55 O8 106.2(5) . . ?
C56 C55 H55A 110.5 . . ?
C56 C55 H55B 110.5 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
O9 C57 H57A 110.1 . . ?
O9 C57 H57B 110.1 . . ?
H57A C57 H57B 108.4 . . ?
C58 C57 O9 108.2(9) . . ?
C58 C57 H57A 110.1 . . ?
C58 C57 H57B 110.1 . . ?
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 . . ?
O11 C59 H59A 110.6 . . ?
O11 C59 H59B 110.6 . . ?
H59A C59 H59B 108.7 . . ?
C60 C59 O11 105.9(7) . . ?
C60 C59 H59A 110.6 . . ?
C60 C59 H59B 110.6 . . ?
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 . . ?
O12 C61 H61A 110.0 . . ?
O12 C61 H61B 110.0 . . ?
O12 C61 C62 108.6(10) . . ?
H61A C61 H61B 108.3 . . ?
C62 C61 H61A 110.0 . . ?
C62 C61 H61B 110.0 . . ?
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 . . ?
O14 C63 H63A 110.7 . . ?
O14 C63 H63B 110.7 . . ?
O14 C63 C64 105.2(6) . . ?
H63A C63 H63B 108.8 . . ?
C64 C63 H63A 110.7 . . ?
C64 C63 H63B 110.7 . . ?
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 . . ?
O15 C65 H65A 109.9 . . ?
O15 C65 H65B 109.9 . . ?
H65A C65 H65B 108.3 . . ?
C66 C65 O15 108.9(6) . . ?
C66 C65 H65A 109.9 . . ?
C66 C65 H65B 109.9 . . ?
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 . . ?
C68 C67 C94 118.4(6) . . ?
C72 C67 C68 117.3(7) . . ?
C72 C67 C94 124.0(6) . . ?
C67 C68 H68 118.9 . . ?
C67 C68 C69 122.2(7) . . ?
C69 C68 H68 118.9 . . ?
C68 C69 C70 117.5(7) . . ?
C68 C69 C95 121.6(7) . . ?
C70 C69 C95 120.8(8) . . ?
C69 C70 H70 118.6 . . ?
C71 C70 C69 122.8(8) . . ?
C71 C70 H70 118.6 . . ?
C70 C71 C73 120.3(7) . . ?
C72 C71 C70 115.9(7) . . ?
C72 C71 C73 123.8(6) . . ?
C67 C72 O17 119.2(6) . . ?
C67 C72 C71 124.0(6) . . ?
C71 C72 O17 116.7(6) . . ?
C71 C73 H73A 109.6 . . ?
C71 C73 H73B 109.6 . . ?
C71 C73 C74 110.2(6) . . ?
H73A C73 H73B 108.1 . . ?
C74 C73 H73A 109.6 . . ?
C74 C73 H73B 109.6 . . ?
C75 C74 C73 116.4(6) . . ?
C79 C74 C73 125.4(6) . . ?
C79 C74 C75 118.1(6) . . ?
C74 C75 H75 119.1 . . ?
C76 C75 C74 121.8(7) . . ?
C76 C75 H75 119.1 . . ?
C75 C76 C77 117.0(6) . . ?
C75 C76 C102 121.0(8) . . ?
C77 C76 C102 122.0(7) . . ?
C76 C77 H77 118.5 . . ?
C78 C77 C76 123.0(6) . . ?
C78 C77 H77 118.5 . . ?
C77 C78 C79 116.4(6) . . ?
C77 C78 C80 120.0(6) . . ?
C79 C78 C80 123.5(6) . . ?
C74 C79 O18 119.2(6) . . ?
C74 C79 C78 123.7(6) . . ?
C78 C79 O18 116.9(6) . . ?
C78 C80 H80A 109.5 . . ?
C78 C80 H80B 109.5 . . ?
C78 C80 C81 110.6(5) . . ?
H80A C80 H80B 108.1 . . ?
C81 C80 H80A 109.5 . . ?
C81 C80 H80B 109.5 . . ?
C82 C81 C80 119.7(6) . . ?
C86 C81 C80 123.3(6) . . ?
C86 C81 C82 116.7(6) . . ?
C81 C82 H82 118.6 . . ?
C81 C82 C83 122.8(7) . . ?
C83 C82 H82 118.6 . . ?
C82 C83 C106 120.8(7) . . ?
C84 C83 C82 117.4(6) . . ?
C84 C83 C106 121.8(8) . . ?
C83 C84 H84 118.9 . . ?
C83 C84 C85 122.2(7) . . ?
C85 C84 H84 118.9 . . ?
C84 C85 C87 120.4(7) . . ?
C86 C85 C84 116.5(7) . . ?
C86 C85 C87 123.1(6) . . ?
C81 C86 O19 118.9(6) . . ?
C81 C86 C85 124.1(6) . . ?
C85 C86 O19 116.9(6) . . ?
C85 C87 H87A 109.4 . . ?
C85 C87 H87B 109.4 . . ?
C85 C87 C88 111.2(6) . . ?
H87A C87 H87B 108.0 . . ?
C88 C87 H87A 109.4 . . ?
C88 C87 H87B 109.4 . . ?
C89 C88 C87 119.7(6) . . ?
C89 C88 C93 117.4(7) . . ?
C93 C88 C87 122.8(6) . . ?
C88 C89 H89 118.5 . . ?
C88 C89 C90 123.0(7) . . ?
C90 C89 H89 118.5 . . ?
C89 C90 C110 122.9(7) . . ?
C91 C90 C89 117.2(6) . . ?
C91 C90 C110 120.0(7) . . ?
C90 C91 H91 118.8 . . ?
C90 C91 C92 122.4(7) . . ?
C92 C91 H91 118.8 . . ?
C91 C92 C94 117.8(7) . . ?
C93 C92 C91 118.0(7) . . ?
C93 C92 C94 124.0(6) . . ?
C88 C93 O20 119.6(6) . . ?
C92 C93 O20 118.2(6) . . ?
C92 C93 C88 121.9(6) . . ?
C67 C94 C92 110.8(6) . . ?
C67 C94 H94A 109.5 . . ?
C67 C94 H94B 109.5 . . ?
C92 C94 H94A 109.5 . . ?
C92 C94 H94B 109.5 . . ?
H94A C94 H94B 108.1 . . ?
C69 C95 C96 109.4(8) . . ?
C69 C95 C98 108.9(8) . . ?
C69 C95 C100 112.7(8) . . ?
C69 C95 C97 113.7(14) . . ?
C69 C95 C99 107.5(14) . . ?
C96 C95 C98 113.1(10) . . ?
C96 C95 C100 106.2(10) . . ?
C98 C95 C100 106.6(10) . . ?
C97 C95 C99 102(2) . . ?
C101 C95 C69 111.8(14) . . ?
C101 C95 C97 110(2) . . ?
C101 C95 C99 111(2) . . ?
C76 C102 C103 106.3(8) . . ?
C76 C102 C104 113.4(9) . . ?
C104 C102 C103 110.6(9) . . ?
C105 C102 C76 113.6(8) . . ?
C105 C102 C103 105.4(9) . . ?
C105 C102 C104 107.2(9) . . ?
C102 C103 H10A 109.5 . . ?
C102 C103 H10B 109.5 . . ?
C102 C103 H10C 109.5 . . ?
H10A C103 H10B 109.5 . . ?
H10A C103 H10C 109.5 . . ?
H10B C103 H10C 109.5 . . ?
C102 C104 H10D 109.5 . . ?
C102 C104 H10E 109.5 . . ?
C102 C104 H10F 109.5 . . ?
H10D C104 H10E 109.5 . . ?
H10D C104 H10F 109.5 . . ?
H10E C104 H10F 109.5 . . ?
C102 C105 H10G 109.5 . . ?
C102 C105 H10H 109.5 . . ?
C102 C105 H10I 109.5 . . ?
H10G C105 H10H 109.5 . . ?
H10G C105 H10I 109.5 . . ?
H10H C105 H10I 109.5 . . ?
C83 C106 C107 108.3(9) . . ?
C108 C106 C83 110.7(9) . . ?
C108 C106 C107 103.1(10) . . ?
C108 C106 C109 105.9(11) . . ?
C109 C106 C83 114.3(9) . . ?
C109 C106 C107 113.9(10) . . ?
C106 C107 H10J 109.5 . . ?
C106 C107 H10K 109.5 . . ?
C106 C107 H10L 109.5 . . ?
H10J C107 H10K 109.5 . . ?
H10J C107 H10L 109.5 . . ?
H10K C107 H10L 109.5 . . ?
C106 C108 H10M 109.5 . . ?
C106 C108 H10N 109.5 . . ?
C106 C108 H10O 109.5 . . ?
H10M C108 H10N 109.5 . . ?
H10M C108 H10O 109.5 . . ?
H10N C108 H10O 109.5 . . ?
C106 C109 H10P 109.5 . . ?
C106 C109 H10Q 109.5 . . ?
C106 C109 H10R 109.5 . . ?
H10P C109 H10Q 109.5 . . ?
H10P C109 H10R 109.5 . . ?
H10Q C109 H10R 109.5 . . ?
C111 C110 C90 111.0(7) . . ?
C111 C110 C112 109.3(7) . . ?
C111 C110 C113 108.1(8) . . ?
C112 C110 C90 110.8(7) . . ?
C113 C110 C90 108.2(6) . . ?
C113 C110 C112 109.4(7) . . ?
C110 C111 H11A 109.5 . . ?
C110 C111 H11B 109.5 . . ?
C110 C111 H11C 109.5 . . ?
H11A C111 H11B 109.5 . . ?
H11A C111 H11C 109.5 . . ?
H11B C111 H11C 109.5 . . ?
C110 C112 H11D 109.5 . . ?
C110 C112 H11E 109.5 . . ?
C110 C112 H11F 109.5 . . ?
H11D C112 H11E 109.5 . . ?
H11D C112 H11F 109.5 . . ?
H11E C112 H11F 109.5 . . ?
C110 C113 H11G 109.5 . . ?
C110 C113 H11H 109.5 . . ?
C110 C113 H11I 109.5 . . ?
H11G C113 H11H 109.5 . . ?
H11G C113 H11I 109.5 . . ?
H11H C113 H11I 109.5 . . ?
O21 C114 H11J 110.8 . . ?
O21 C114 H11K 110.8 . . ?
O21 C114 C115 104.7(5) . . ?
H11J C114 H11K 108.9 . . ?
C115 C114 H11J 110.8 . . ?
C115 C114 H11K 110.8 . . ?
C114 C115 H11L 109.5 . . ?
C114 C115 H11M 109.5 . . ?
C114 C115 H11N 109.5 . . ?
H11L C115 H11M 109.5 . . ?
H11L C115 H11N 109.5 . . ?
H11M C115 H11N 109.5 . . ?
O22 C116 H11O 110.3 . . ?
O22 C116 H11P 110.3 . . ?
O22 C116 C117 107.3(7) . . ?
H11O C116 H11P 108.5 . . ?
C117 C116 H11O 110.3 . . ?
C117 C116 H11P 110.3 . . ?
C116 C117 H11Q 109.5 . . ?
C116 C117 H11R 109.5 . . ?
C116 C117 H11S 109.5 . . ?
H11Q C117 H11R 109.5 . . ?
H11Q C117 H11S 109.5 . . ?
H11R C117 H11S 109.5 . . ?
O24 C118 H11T 110.0 . . ?
O24 C118 H11U 110.0 . . ?
O24 C118 C119 108.7(6) . . ?
H11T C118 H11U 108.3 . . ?
C119 C118 H11T 110.0 . . ?
C119 C118 H11U 110.0 . . ?
C118 C119 H11V 109.5 . . ?
C118 C119 H11W 109.5 . . ?
C118 C119 H11X 109.5 . . ?
H11V C119 H11W 109.5 . . ?
H11V C119 H11X 109.5 . . ?
H11W C119 H11X 109.5 . . ?
O25 C120 H12A 110.0 . . ?
O25 C120 H12B 110.0 . . ?
H12A C120 H12B 108.4 . . ?
C121 C120 O25 108.4(7) . . ?
C121 C120 H12A 110.0 . . ?
C121 C120 H12B 110.0 . . ?
C120 C121 H12C 109.5 . . ?
C120 C121 H12D 109.5 . . ?
C120 C121 H12E 109.5 . . ?
H12C C121 H12D 109.5 . . ?
H12C C121 H12E 109.5 . . ?
H12D C121 H12E 109.5 . . ?
O27 C122 H12F 110.4 . . ?
O27 C122 H12G 110.4 . . ?
O27 C122 C123 106.5(6) . . ?
H12F C122 H12G 108.6 . . ?
C123 C122 H12F 110.4 . . ?
C123 C122 H12G 110.4 . . ?
C122 C123 H12H 109.5 . . ?
C122 C123 H12I 109.5 . . ?
C122 C123 H12J 109.5 . . ?
H12H C123 H12I 109.5 . . ?
H12H C123 H12J 109.5 . . ?
H12I C123 H12J 109.5 . . ?
O28 C124 H12K 109.9 . . ?
O28 C124 H12L 109.9 . . ?
H12K C124 H12L 108.3 . . ?
C125 C124 O28 108.7(9) . . ?
C125 C124 H12K 109.9 . . ?
C125 C124 H12L 109.9 . . ?
C124 C125 H12M 109.5 . . ?
C124 C125 H12N 109.5 . . ?
C124 C125 H12O 109.5 . . ?
H12M C125 H12N 109.5 . . ?
H12M C125 H12O 109.5 . . ?
H12N C125 H12O 109.5 . . ?
O30 C126 H12P 110.5 . . ?
O30 C126 H12Q 110.5 . . ?
O30 C126 C127 106.1(6) . . ?
H12P C126 H12Q 108.7 . . ?
C127 C126 H12P 110.5 . . ?
C127 C126 H12Q 110.5 . . ?
C126 C127 H12R 109.5 . . ?
C126 C127 H12S 109.5 . . ?
C126 C127 H12T 109.5 . . ?
H12R C127 H12S 109.5 . . ?
H12R C127 H12T 109.5 . . ?
H12S C127 H12T 109.5 . . ?
O31 C128 H12U 110.7 . . ?
O31 C128 H12V 110.7 . . ?
H12U C128 H12V 108.8 . . ?
C129 C128 O31 105.4(8) . . ?
C129 C128 H12U 110.7 . . ?
C129 C128 H12V 110.7 . . ?
C128 C129 H12W 109.5 . . ?
C128 C129 H12X 109.5 . . ?
C128 C129 H12Y 109.5 . . ?
H12W C129 H12X 109.5 . . ?
H12W C129 H12Y 109.5 . . ?
H12X C129 H12Y 109.5 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C29 C34 H34A 109.5 . . ?
C29 C34 H34B 109.5 . . ?
C29 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C40 C44 H44A 109.5 . . ?
C40 C44 H44B 109.5 . . ?
C40 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C40 C46 H46A 109.5 . . ?
C40 C46 H46B 109.5 . . ?
C40 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C95 C96 H96A 109.5 . . ?
C95 C96 H96B 109.5 . . ?
C95 C96 H96C 109.5 . . ?
H96A C96 H96B 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
C95 C98 H98A 109.5 . . ?
C95 C98 H98B 109.5 . . ?
C95 C98 H98C 109.5 . . ?
H98A C98 H98B 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C95 C100 H10S 109.5 . . ?
C95 C100 H10T 109.5 . . ?
C95 C100 H10U 109.5 . . ?
H10S C100 H10T 109.5 . . ?
H10S C100 H10U 109.5 . . ?
H10T C100 H10U 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C33 H33A 109.5 . . ?
C29 C33 H33B 109.5 . . ?
C29 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C29 C35 H35A 109.5 . . ?
C29 C35 H35B 109.5 . . ?
C29 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C43 H43A 109.5 . . ?
C40 C43 H43B 109.5 . . ?
C40 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C40 C45 H45A 109.5 . . ?
C40 C45 H45B 109.5 . . ?
C40 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C95 C97 H97A 109.5 . . ?
C95 C97 H97B 109.5 . . ?
C95 C97 H97C 109.5 . . ?
H97A C97 H97B 109.5 . . ?
H97A C97 H97C 109.5 . . ?
H97B C97 H97C 109.5 . . ?
C95 C99 H99A 109.5 . . ?
C95 C99 H99B 109.5 . . ?
C95 C99 H99C 109.5 . . ?
H99A C99 H99B 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
C95 C101 H10V 109.5 . . ?
C95 C101 H10W 109.5 . . ?
C95 C101 H10X 109.5 . . ?
H10V C101 H10W 109.5 . . ?
H10V C101 H10X 109.5 . . ?
H10W C101 H10X 109.5 . . ?
O33 S1 O34 111.2(5) . . ?
O33 S1 O35 118.8(4) . . ?
O33 S1 C130 105.4(5) . . ?
O34 S1 C130 103.3(6) . . ?
O35 S1 O34 112.1(4) . . ?
O35 S1 C130 104.3(5) . . ?
F1 C130 S1 113.3(8) . . ?
F1 C130 F3 103.9(8) . . ?
F2 C130 S1 112.2(8) . . ?
F2 C130 F1 108.0(10) . . ?
F2 C130 F3 107.3(9) . . ?
F3 C130 S1 111.6(8) . . ?
O36 S2 O37 117.6(6) . . ?
O36 S2 O38 115.8(5) . . ?
O36 S2 C131 104.3(7) . . ?
O37 S2 O38 110.7(5) . . ?
O37 S2 C131 107.1(7) . . ?
O38 S2 C131 98.8(7) . . ?
F4 C131 S2 125.1(16) . . ?
F4 C131 F5 96.7(11) . . ?
F4 C131 F6 102.9(16) . . ?
F5 C131 S2 110.2(12) . . ?
F6 C131 S2 118.4(9) . . ?
F6 C131 F5 98.4(15) . . ?

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
P1 O1 C6 C1 91.7(7) . . . . ?
P1 O1 C6 C5 -91.5(7) . . . . ?
P1 O5 C51 C52 -173.3(6) . . . . ?
P1 O6 C53 C54 157.5(5) . . . . ?
P2 O2 C13 C8 92.9(8) . . . . ?
P2 O2 C13 C12 -90.5(7) . . . . ?
P2 O8 C55 C56 -160.5(6) . . . . ?
P2 O9 C57 C58 156.3(7) . . . . ?
P3 O3 C20 C15 90.6(7) . . . . ?
P3 O3 C20 C19 -91.4(7) . . . . ?
P3 O11 C59 C60 175.2(6) . . . . ?
P3 O12 C61 C62 165.3(7) . . . . ?
P4 O4 C27 C22 94.4(8) . . . . ?
P4 O4 C27 C26 -91.0(7) . . . . ?
P4 O14 C63 C64 -177.1(6) . . . . ?
P4 O15 C65 C66 -179.1(6) . . . . ?
P5 O17 C72 C67 90.1(7) . . . . ?
P5 O17 C72 C71 -92.6(6) . . . . ?
P5 O21 C114 C115 177.3(5) . . . . ?
P5 O22 C116 C117 163.8(6) . . . . ?
P6 O18 C79 C74 89.5(7) . . . . ?
P6 O18 C79 C78 -94.7(6) . . . . ?
P6 O24 C118 C119 177.3(6) . . . . ?
P6 O25 C120 C121 179.8(6) . . . . ?
P7 O19 C86 C81 90.7(7) . . . . ?
P7 O19 C86 C85 -92.3(7) . . . . ?
P7 O27 C122 C123 -177.9(5) . . . . ?
P7 O28 C124 C125 161.1(6) . . . . ?
P8 O20 C93 C88 94.9(7) . . . . ?
P8 O20 C93 C92 -90.5(7) . . . . ?
P8 O30 C126 C127 -176.3(5) . . . . ?
P8 O31 C128 C129 149.6(6) . . . . ?
O1 P1 O5 C51 -167.4(5) . . . . ?
O1 P1 O6 C53 -78.6(6) . . . . ?
O1 P1 O7 Dy1 67.1(6) . . . . ?
O2 P2 O8 C55 -170.0(5) . . . . ?
O2 P2 O9 C57 -87.2(6) . . . . ?
O2 P2 O10 Dy1 68.7(5) . . . . ?
O3 P3 O11 C59 -163.2(6) . . . . ?
O3 P3 O12 C61 -83.2(8) . . . . ?
O3 P3 O13 Dy1 63.2(6) . . . . ?
O4 P4 O14 C63 -159.3(5) . . . . ?
O4 P4 O15 C65 -81.4(5) . . . . ?
O4 P4 O16 Dy1 62.3(6) . . . . ?
O5 P1 O1 C6 -69.7(6) . . . . ?
O5 P1 O6 C53 32.6(6) . . . . ?
O5 P1 O7 Dy1 -49.7(6) . . . . ?
O6 P1 O1 C6 44.4(6) . . . . ?
O6 P1 O5 C51 76.2(5) . . . . ?
O6 P1 O7 Dy1 -171.6(5) . . . . ?
O7 P1 O1 C6 164.9(5) . . . . ?
O7 P1 O5 C51 -46.6(6) . . . . ?
O7 P1 O6 C53 160.2(5) . . . . ?
O8 P2 O2 C13 -74.0(6) . . . . ?
O8 P2 O9 C57 24.5(6) . . . . ?
O8 P2 O10 Dy1 -49.1(6) . . . . ?
O9 P2 O2 C13 40.4(6) . . . . ?
O9 P2 O8 C55 75.0(5) . . . . ?
O9 P2 O10 Dy1 -172.1(4) . . . . ?
O10 P2 O2 C13 160.0(5) . . . . ?
O10 P2 O8 C55 -48.8(6) . . . . ?
O10 P2 O9 C57 152.9(6) . . . . ?
O11 P3 O3 C20 -69.2(6) . . . . ?
O11 P3 O12 C61 28.1(8) . . . . ?
O11 P3 O13 Dy1 -53.8(6) . . . . ?
O12 P3 O3 C20 45.0(7) . . . . ?
O12 P3 O11 C59 81.3(6) . . . . ?
O12 P3 O13 Dy1 -176.9(5) . . . . ?
O13 P3 O3 C20 165.1(6) . . . . ?
O13 P3 O11 C59 -42.9(7) . . . . ?
O13 P3 O12 C61 156.9(7) . . . . ?
O14 P4 O4 C27 -66.4(6) . . . . ?
O14 P4 O15 C65 30.6(5) . . . . ?
O14 P4 O16 Dy1 -54.9(7) . . . . ?
O15 P4 O4 C27 48.9(6) . . . . ?
O15 P4 O14 C63 83.8(6) . . . . ?
O15 P4 O16 Dy1 -177.3(5) . . . . ?
O16 P4 O4 C27 167.6(5) . . . . ?
O16 P4 O14 C63 -38.5(7) . . . . ?
O16 P4 O15 C65 158.6(5) . . . . ?
O17 P5 O21 C114 -168.5(5) . . . . ?
O17 P5 O22 C116 -80.5(5) . . . . ?
O17 P5 O23 Dy1 64.7(5) . . . . ?
O18 P6 O24 C118 -158.4(5) . . . . ?
O18 P6 O25 C120 -81.2(5) . . . . ?
O18 P6 O26 Dy1 62.3(6) . . . . ?
O19 P7 O27 C122 -168.2(5) . . . . ?
O19 P7 O28 C124 -80.6(7) . . . . ?
O19 P7 O29 Dy1 71.0(6) . . . . ?
O20 P8 O30 C126 -168.8(5) . . . . ?
O20 P8 O31 C128 -81.0(7) . . . . ?
O20 P8 O32 Dy1 66.0(6) . . . . ?
O21 P5 O17 C72 -72.1(5) . . . . ?
O21 P5 O22 C116 31.0(5) . . . . ?
O21 P5 O23 Dy1 -52.6(5) . . . . ?
O22 P5 O17 C72 42.4(6) . . . . ?
O22 P5 O21 C114 76.2(5) . . . . ?
O22 P5 O23 Dy1 -175.9(4) . . . . ?
O23 P5 O17 C72 162.0(5) . . . . ?
O23 P5 O21 C114 -47.8(6) . . . . ?
O23 P5 O22 C116 159.7(5) . . . . ?
O24 P6 O18 C79 -65.5(5) . . . . ?
O24 P6 O25 C120 31.7(5) . . . . ?
O24 P6 O26 Dy1 -55.4(6) . . . . ?
O25 P6 O18 C79 49.5(6) . . . . ?
O25 P6 O24 C118 85.0(6) . . . . ?
O25 P6 O26 Dy1 -177.7(5) . . . . ?
O26 P6 O18 C79 169.1(5) . . . . ?
O26 P6 O24 C118 -38.2(6) . . . . ?
O26 P6 O25 C120 159.4(5) . . . . ?
O27 P7 O19 C86 -71.1(5) . . . . ?
O27 P7 O28 C124 31.0(7) . . . . ?
O27 P7 O29 Dy1 -46.3(6) . . . . ?
O28 P7 O19 C86 43.7(6) . . . . ?
O28 P7 O27 C122 76.5(6) . . . . ?
O28 P7 O29 Dy1 -169.9(5) . . . . ?
O29 P7 O19 C86 163.0(5) . . . . ?
O29 P7 O27 C122 -47.6(6) . . . . ?
O29 P7 O28 C124 159.9(6) . . . . ?
O30 P8 O20 C93 -72.7(6) . . . . ?
O30 P8 O31 C128 30.2(7) . . . . ?
O30 P8 O32 Dy1 -50.4(6) . . . . ?
O31 P8 O20 C93 42.4(6) . . . . ?
O31 P8 O30 C126 74.9(6) . . . . ?
O31 P8 O32 Dy1 -173.8(5) . . . . ?
O32 P8 O20 C93 161.7(5) . . . . ?
O32 P8 O30 C126 -48.5(6) . . . . ?
O32 P8 O31 C128 158.9(6) . . . . ?
C1 C2 C3 C4 -3.7(13) . . . . ?
C1 C2 C3 C29 -178.4(9) . . . . ?
C2 C1 C6 O1 -179.2(6) . . . . ?
C2 C1 C6 C5 4.3(11) . . . . ?
C2 C1 C28 C26 -83.4(8) . . . . ?
C2 C3 C4 C5 4.7(13) . . . . ?
C2 C3 C29 C30 45.9(17) . . . . ?
C2 C3 C29 C32 -75.4(13) . . . . ?
C2 C3 C29 C34 160.4(13) . . . . ?
C2 C3 C29 C31 -12.3(17) . . . . ?
C2 C3 C29 C33 -124.6(13) . . . . ?
C2 C3 C29 C35 114.3(12) . . . . ?
C3 C4 C5 C6 -1.4(11) . . . . ?
C3 C4 C5 C7 -177.9(7) . . . . ?
C4 C3 C29 C30 -128.5(14) . . . . ?
C4 C3 C29 C32 110.1(13) . . . . ?
C4 C3 C29 C34 -14.1(16) . . . . ?
C4 C3 C29 C31 173.2(13) . . . . ?
C4 C3 C29 C33 60.9(15) . . . . ?
C4 C3 C29 C35 -60.1(14) . . . . ?
C4 C5 C6 O1 -179.9(6) . . . . ?
C4 C5 C6 C1 -3.3(10) . . . . ?
C4 C5 C7 C8 84.1(8) . . . . ?
C5 C7 C8 C9 -83.8(8) . . . . ?
C5 C7 C8 C13 92.3(8) . . . . ?
C6 C1 C2 C3 -0.6(12) . . . . ?
C6 C1 C28 C26 92.2(8) . . . . ?
C6 C5 C7 C8 -92.1(8) . . . . ?
C7 C5 C6 O1 -3.7(10) . . . . ?
C7 C5 C6 C1 173.0(7) . . . . ?
C7 C8 C9 C10 175.2(7) . . . . ?
C7 C8 C13 O2 5.0(11) . . . . ?
C7 C8 C13 C12 -171.4(7) . . . . ?
C8 C9 C10 C11 -0.5(13) . . . . ?
C8 C9 C10 C36 175.6(8) . . . . ?
C9 C8 C13 O2 -178.8(6) . . . . ?
C9 C8 C13 C12 4.8(11) . . . . ?
C9 C10 C11 C12 -1.4(13) . . . . ?
C9 C10 C36 C37 146.0(10) . . . . ?
C9 C10 C36 C38 20.7(13) . . . . ?
C9 C10 C36 C39 -97.3(11) . . . . ?
C10 C11 C12 C13 4.7(13) . . . . ?
C10 C11 C12 C14 -174.0(8) . . . . ?
C11 C10 C36 C37 -38.0(13) . . . . ?
C11 C10 C36 C38 -163.3(10) . . . . ?
C11 C10 C36 C39 78.7(11) . . . . ?
C11 C12 C13 O2 177.0(7) . . . . ?
C11 C12 C13 C8 -6.5(12) . . . . ?
C11 C12 C14 C15 83.5(9) . . . . ?
C12 C14 C15 C16 -80.1(9) . . . . ?
C12 C14 C15 C20 93.7(8) . . . . ?
C13 C8 C9 C10 -1.2(11) . . . . ?
C13 C12 C14 C15 -95.0(8) . . . . ?
C14 C12 C13 O2 -4.4(11) . . . . ?
C14 C12 C13 C8 172.1(7) . . . . ?
C14 C15 C16 C17 174.3(8) . . . . ?
C14 C15 C20 O3 7.1(10) . . . . ?
C14 C15 C20 C19 -170.8(7) . . . . ?
C15 C16 C17 C18 -2.5(13) . . . . ?
C15 C16 C17 C40 178.9(9) . . . . ?
C16 C15 C20 O3 -178.8(6) . . . . ?
C16 C15 C20 C19 3.3(11) . . . . ?
C16 C17 C18 C19 1.6(13) . . . . ?
C16 C17 C40 C42 123.5(16) . . . . ?
C16 C17 C40 C44 -15.2(19) . . . . ?
C16 C17 C40 C46 -118.1(15) . . . . ?
C16 C17 C40 C41 170.9(14) . . . . ?
C16 C17 C40 C43 58.8(15) . . . . ?
C16 C17 C40 C45 -57(2) . . . . ?
C17 C18 C19 C20 1.5(12) . . . . ?
C17 C18 C19 C21 -176.0(8) . . . . ?
C18 C17 C40 C42 -55.1(18) . . . . ?
C18 C17 C40 C44 166.2(15) . . . . ?
C18 C17 C40 C46 63.3(16) . . . . ?
C18 C17 C40 C41 -7.6(19) . . . . ?
C18 C17 C40 C43 -119.8(14) . . . . ?
C18 C17 C40 C45 124.0(17) . . . . ?
C18 C19 C20 O3 178.0(6) . . . . ?
C18 C19 C20 C15 -4.1(11) . . . . ?
C18 C19 C21 C22 83.0(8) . . . . ?
C19 C21 C22 C23 -79.9(8) . . . . ?
C19 C21 C22 C27 99.4(8) . . . . ?
C20 C15 C16 C17 0.1(12) . . . . ?
C20 C19 C21 C22 -94.3(8) . . . . ?
C21 C19 C20 O3 -4.5(10) . . . . ?
C21 C19 C20 C15 173.3(7) . . . . ?
C21 C22 C23 C24 175.8(7) . . . . ?
C21 C22 C27 O4 -0.7(11) . . . . ?
C21 C22 C27 C26 -174.8(7) . . . . ?
C22 C23 C24 C25 2.6(12) . . . . ?
C22 C23 C24 C47 -177.3(8) . . . . ?
C23 C22 C27 O4 178.6(6) . . . . ?
C23 C22 C27 C26 4.4(11) . . . . ?
C23 C24 C25 C26 -2.5(11) . . . . ?
C23 C24 C47 C48 16.5(14) . . . . ?
C23 C24 C47 C49 -99.4(11) . . . . ?
C23 C24 C47 C50 136.2(10) . . . . ?
C24 C25 C26 C27 3.2(11) . . . . ?
C24 C25 C26 C28 -172.8(7) . . . . ?
C25 C24 C47 C48 -163.4(9) . . . . ?
C25 C24 C47 C49 80.6(11) . . . . ?
C25 C24 C47 C50 -43.8(14) . . . . ?
C25 C26 C27 O4 -178.5(6) . . . . ?
C25 C26 C27 C22 -4.2(11) . . . . ?
C25 C26 C28 C1 78.9(8) . . . . ?
C27 C22 C23 C24 -3.5(11) . . . . ?
C27 C26 C28 C1 -96.8(8) . . . . ?
C28 C1 C2 C3 175.3(8) . . . . ?
C28 C1 C6 O1 5.2(10) . . . . ?
C28 C1 C6 C5 -171.4(7) . . . . ?
C28 C26 C27 O4 -2.6(10) . . . . ?
C28 C26 C27 C22 171.7(7) . . . . ?
C29 C3 C4 C5 179.4(8) . . . . ?
C36 C10 C11 C12 -177.4(8) . . . . ?
C40 C17 C18 C19 -179.8(9) . . . . ?
C47 C24 C25 C26 177.5(8) . . . . ?
C67 C68 C69 C70 0.7(12) . . . . ?
C67 C68 C69 C95 179.2(8) . . . . ?
C68 C67 C72 O17 -177.2(6) . . . . ?
C68 C67 C72 C71 5.7(10) . . . . ?
C68 C67 C94 C92 -85.9(8) . . . . ?
C68 C69 C70 C71 -2.0(11) . . . . ?
C68 C69 C95 C96 -119.3(10) . . . . ?
C68 C69 C95 C98 116.6(10) . . . . ?
C68 C69 C95 C100 -1.4(13) . . . . ?
C68 C69 C95 C97 -178(2) . . . . ?
C68 C69 C95 C99 70(2) . . . . ?
C68 C69 C95 C101 -52(2) . . . . ?
C69 C70 C71 C72 4.9(11) . . . . ?
C69 C70 C71 C73 -174.4(7) . . . . ?
C70 C69 C95 C96 59.2(11) . . . . ?
C70 C69 C95 C98 -64.9(12) . . . . ?
C70 C69 C95 C100 177.1(9) . . . . ?
C70 C69 C95 C97 1(2) . . . . ?
C70 C69 C95 C99 -112(2) . . . . ?
C70 C69 C95 C101 126(2) . . . . ?
C70 C71 C72 O17 176.0(6) . . . . ?
C70 C71 C72 C67 -6.8(10) . . . . ?
C70 C71 C73 C74 86.8(8) . . . . ?
C71 C73 C74 C75 -77.6(8) . . . . ?
C71 C73 C74 C79 97.8(8) . . . . ?
C72 C67 C68 C69 -2.3(11) . . . . ?
C72 C67 C94 C92 89.0(8) . . . . ?
C72 C71 C73 C74 -92.4(8) . . . . ?
C73 C71 C72 O17 -4.7(10) . . . . ?
C73 C71 C72 C67 172.4(7) . . . . ?
C73 C74 C75 C76 174.7(7) . . . . ?
C73 C74 C79 O18 2.3(10) . . . . ?
C73 C74 C79 C78 -173.2(7) . . . . ?
C74 C75 C76 C77 -0.1(11) . . . . ?
C74 C75 C76 C102 -179.7(8) . . . . ?
C75 C74 C79 O18 177.6(6) . . . . ?
C75 C74 C79 C78 2.1(10) . . . . ?
C75 C76 C77 C78 0.1(10) . . . . ?
C75 C76 C102 C103 -88.3(10) . . . . ?
C75 C76 C102 C104 150.0(9) . . . . ?
C75 C76 C102 C105 27.2(13) . . . . ?
C76 C77 C78 C79 0.9(10) . . . . ?
C76 C77 C78 C80 -176.2(6) . . . . ?
C77 C76 C102 C103 92.1(10) . . . . ?
C77 C76 C102 C104 -29.6(13) . . . . ?
C77 C76 C102 C105 -152.4(9) . . . . ?
C77 C78 C79 O18 -177.7(5) . . . . ?
C77 C78 C79 C74 -2.1(10) . . . . ?
C77 C78 C80 C81 78.4(8) . . . . ?
C78 C80 C81 C82 -86.2(7) . . . . ?
C78 C80 C81 C86 88.3(8) . . . . ?
C79 C74 C75 C76 -1.0(11) . . . . ?
C79 C78 C80 C81 -98.6(7) . . . . ?
C80 C78 C79 O18 -0.6(9) . . . . ?
C80 C78 C79 C74 175.0(6) . . . . ?
C80 C81 C82 C83 173.1(7) . . . . ?
C80 C81 C86 O19 7.9(10) . . . . ?
C80 C81 C86 C85 -168.9(7) . . . . ?
C81 C82 C83 C84 -1.2(11) . . . . ?
C81 C82 C83 C106 179.9(9) . . . . ?
C82 C81 C86 O19 -177.4(6) . . . . ?
C82 C81 C86 C85 5.8(11) . . . . ?
C82 C83 C84 C85 0.4(12) . . . . ?
C82 C83 C106 C107 63.8(12) . . . . ?
C82 C83 C106 C108 -48.5(14) . . . . ?
C82 C83 C106 C109 -168.0(10) . . . . ?
C83 C84 C85 C86 3.1(11) . . . . ?
C83 C84 C85 C87 -175.1(7) . . . . ?
C84 C83 C106 C107 -115.1(10) . . . . ?
C84 C83 C106 C108 132.6(10) . . . . ?
C84 C83 C106 C109 13.1(16) . . . . ?
C84 C85 C86 O19 176.7(6) . . . . ?
C84 C85 C86 C81 -6.4(11) . . . . ?
C84 C85 C87 C88 86.2(8) . . . . ?
C85 C87 C88 C89 -77.0(8) . . . . ?
C85 C87 C88 C93 99.9(8) . . . . ?
C86 C81 C82 C83 -1.8(11) . . . . ?
C86 C85 C87 C88 -91.9(8) . . . . ?
C87 C85 C86 O19 -5.1(10) . . . . ?
C87 C85 C86 C81 171.7(7) . . . . ?
C87 C88 C89 C90 175.3(7) . . . . ?
C87 C88 C93 O20 -0.1(10) . . . . ?
C87 C88 C93 C92 -174.5(7) . . . . ?
C88 C89 C90 C91 1.6(11) . . . . ?
C88 C89 C90 C110 -178.3(7) . . . . ?
C89 C88 C93 O20 176.8(6) . . . . ?
C89 C88 C93 C92 2.4(11) . . . . ?
C89 C90 C91 C92 -2.1(11) . . . . ?
C89 C90 C110 C111 137.3(8) . . . . ?
C89 C90 C110 C112 15.7(11) . . . . ?
C89 C90 C110 C113 -104.2(9) . . . . ?
C90 C91 C92 C93 2.8(11) . . . . ?
C90 C91 C92 C94 -173.0(7) . . . . ?
C91 C90 C110 C111 -42.7(10) . . . . ?
C91 C90 C110 C112 -164.3(7) . . . . ?
C91 C90 C110 C113 75.8(10) . . . . ?
C91 C92 C93 O20 -177.4(6) . . . . ?
C91 C92 C93 C88 -2.9(11) . . . . ?
C91 C92 C94 C67 79.8(8) . . . . ?
C93 C88 C89 C90 -1.8(11) . . . . ?
C93 C92 C94 C67 -95.7(8) . . . . ?
C94 C67 C68 C69 172.9(7) . . . . ?
C94 C67 C72 O17 7.9(10) . . . . ?
C94 C67 C72 C71 -169.2(6) . . . . ?
C94 C92 C93 O20 -1.9(10) . . . . ?
C94 C92 C93 C88 172.6(7) . . . . ?
C95 C69 C70 C71 179.4(7) . . . . ?
C102 C76 C77 C78 179.7(8) . . . . ?
C106 C83 C84 C85 179.4(9) . . . . ?
C110 C90 C91 C92 177.9(7) . . . . ?
O33 S1 C130 F1 -177.5(8) . . . . ?
O33 S1 C130 F2 59.9(8) . . . . ?
O33 S1 C130 F3 -60.6(9) . . . . ?
O34 S1 C130 F1 -60.7(9) . . . . ?
O34 S1 C130 F2 176.6(7) . . . . ?
O34 S1 C130 F3 56.1(9) . . . . ?
O35 S1 C130 F1 56.7(9) . . . . ?
O35 S1 C130 F2 -66.0(9) . . . . ?
O35 S1 C130 F3 173.5(7) . . . . ?
O36 S2 C131 F4 44.6(17) . . . . ?
O36 S2 C131 F5 -69.6(11) . . . . ?
O36 S2 C131 F6 178.3(13) . . . . ?
O37 S2 C131 F4 170.0(14) . . . . ?
O37 S2 C131 F5 55.8(11) . . . . ?
O37 S2 C131 F6 -56.3(15) . . . . ?
O38 S2 C131 F4 -75.0(16) . . . . ?
O38 S2 C131 F5 170.8(10) . . . . ?
O38 S2 C131 F6 58.7(14) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.787 -0.885 -0.885 3165.0 309.1 ?
2 0.102 0.123 0.508 71.7 9.1 ?
3 -0.102 0.877 0.492 71.7 9.1 ?
4 0.378 0.385 -0.014 65.3 0.0 ?
5 0.622 0.615 0.014 65.3 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
