# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_Jeremy111318
_database_code_depnum_ccdc_archive 'CCDC 2114506'
loop_
_audit_author_name
_audit_author_address
'Smaranda Marinescu'
;University of Southern California
United States of America
;
_audit_update_record             
;
2022-03-09 deposited with the CCDC.	2022-03-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'(C141 H123 Co3 P9 S6), 3(B F4), 2.5(C4 H10 O), 3(C2 H3 N), 4(C2 H3 N)'
_chemical_formula_sum            'C165 H169 B3 Co3 F12 N7 O2.50 P9 S6'
_chemical_formula_weight         3198.37

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   20.285(3)
_cell_length_b                   21.478(3)
_cell_length_c                   21.698(3)
_cell_angle_alpha                62.702(4)
_cell_angle_beta                 87.142(5)
_cell_angle_gamma                71.516(5)
_cell_volume                     7915.7(19)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9824
_cell_measurement_theta_min      2.1758
_cell_measurement_theta_max      28.2833

_exptl_crystal_description       rod
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.342
_exptl_crystal_F_000             3150
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.480
_exptl_crystal_size_mid          0.104
_exptl_crystal_size_min          0.095
_exptl_absorpt_coefficient_mu    0.546
_shelx_estimated_absorpt_T_min   0.780
_shelx_estimated_absorpt_T_max   0.950
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.74
_exptl_absorpt_correction_T_max  0.95
_exptl_absorpt_process_details   'SADABS V2016/2 (Bruker AXS, 2016)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus tube'
_diffrn_radiation_monochromator  'TRIUMPH curved-crystal'
_diffrn_measurement_device_type  Bruker
_diffrn_measurement_method       w/p-scans
_diffrn_detector_area_resol_mean 8.3333
_diffrn_reflns_number            151187
_diffrn_reflns_av_unetI/netI     0.0840
_diffrn_reflns_av_R_equivalents  0.0981
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.131
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_full        25.028
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             27919
_reflns_number_gt                17798
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'APEX3 v2018.1-0'
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Ortep-3 2014.1'
_computing_publication_material  'APEX3 v2018.1-0'
_refine_special_details          
;
A solvent mask was used. The size of the voids and number of electrons correlate
to four MeCN molecules. These have been included in _chemical_formula_moiety,
_chemical_formula_sum, and _chemical_formula_weight.
See SQUEEZE RESULTS listed at the end of the file.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0790P)²+100.4567P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         27919
_refine_ls_number_parameters     1718
_refine_ls_number_restraints     10
_refine_ls_R_factor_all          0.1420
_refine_ls_R_factor_gt           0.0901
_refine_ls_wR_factor_ref         0.2637
_refine_ls_wR_factor_gt          0.2310
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_restrained_S_all      1.016
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
C1 C 0.7356(4) 0.6144(4) 0.2362(4) 0.0267(17) Uani 1 1 d . . . . .
C2 C 0.7150(4) 0.5543(4) 0.2467(4) 0.0235(16) Uani 1 1 d . . . . .
C3 C 0.7149(4) 0.5007(4) 0.3135(4) 0.0258(17) Uani 1 1 d . . . . .
H3 H 0.700098 0.460556 0.319970 0.031 Uiso 1 1 calc R U . . .
C4 C 0.7361(4) 0.5040(4) 0.3716(4) 0.0224(16) Uani 1 1 d . . . . .
C5 C 0.7337(4) 0.4485(4) 0.4415(4) 0.0237(16) Uani 1 1 d . . . . .
C6 C 0.7082(4) 0.3905(4) 0.4541(4) 0.0251(17) Uani 1 1 d . . . . .
H6 H 0.690750 0.388208 0.415586 0.030 Uiso 1 1 calc R U . . .
C7 C 0.7077(4) 0.3372(4) 0.5206(4) 0.0242(16) Uani 1 1 d . . . . .
C8 C 0.7343(4) 0.3388(4) 0.5778(4) 0.0259(17) Uani 1 1 d . . . . .
C9 C 0.7611(4) 0.3947(4) 0.5674(4) 0.0278(18) Uani 1 1 d . . . . .
H9 H 0.780138 0.394951 0.606344 0.033 Uiso 1 1 calc R U . . .
C10 C 0.7603(4) 0.4500(4) 0.5005(4) 0.0235(16) Uani 1 1 d . . . . .
C11 C 0.7857(4) 0.5110(4) 0.4895(4) 0.0246(17) Uani 1 1 d . . . . .
C12 C 0.8052(4) 0.5178(4) 0.5461(4) 0.0254(17) Uani 1 1 d . . . . .
H12 H 0.805454 0.480477 0.592133 0.030 Uiso 1 1 calc R U . . .
C13 C 0.8243(4) 0.5783(4) 0.5368(4) 0.0247(16) Uani 1 1 d . . . . .
C14 C 0.8257(4) 0.6319(4) 0.4693(4) 0.0247(17) Uani 1 1 d . . . . .
C15 C 0.8086(4) 0.6250(4) 0.4116(4) 0.0252(17) Uani 1 1 d . . . . .
H15 H 0.811936 0.660459 0.365886 0.030 Uiso 1 1 calc R U . . .
C16 C 0.7865(4) 0.5660(4) 0.4213(4) 0.0267(17) Uani 1 1 d . . . . .
C17 C 0.7617(4) 0.5624(4) 0.3610(4) 0.0241(16) Uani 1 1 d . . . . .
C18 C 0.7607(4) 0.6166(4) 0.2928(4) 0.0287(18) Uani 1 1 d . . . . .
H18 H 0.777599 0.655772 0.285283 0.034 Uiso 1 1 calc R U . . .
C19 C 0.7096(6) 0.8283(5) 0.0059(4) 0.043(2) Uani 1 1 d . . . . .
C20 C 0.7758(7) 0.8252(6) 0.0054(6) 0.064(3) Uani 1 1 d . . . . .
H20 H 0.810663 0.783272 0.005658 0.077 Uiso 1 1 calc R U . . .
C21 C 0.7955(8) 0.8826(7) 0.0044(7) 0.081(4) Uani 1 1 d . . . . .
H21 H 0.843221 0.879514 0.002119 0.097 Uiso 1 1 calc R U . . .
C22 C 0.7500(10) 0.9401(6) 0.0066(6) 0.088(5) Uani 1 1 d . . . . .
H22 H 0.764805 0.977143 0.008146 0.105 Uiso 1 1 calc R U . . .
C23 C 0.6772(10) 0.9465(8) 0.0066(8) 0.091(5) Uani 1 1 d . . . . .
H23 H 0.642523 0.988931 0.005621 0.110 Uiso 1 1 calc R U . . .
C24 C 0.6596(8) 0.8885(6) 0.0080(7) 0.077(4) Uani 1 1 d . . . . .
H24 H 0.612224 0.890126 0.010511 0.092 Uiso 1 1 calc R U . . .
C25 C 0.5881(5) 0.8023(4) -0.0233(4) 0.038(2) Uani 1 1 d . . . . .
C26 C 0.5470(6) 0.7996(6) 0.0310(6) 0.060(3) Uani 1 1 d . . . . .
H26 H 0.569291 0.772703 0.077566 0.072 Uiso 1 1 calc R U . . .
C27 C 0.4780(7) 0.8331(7) 0.0201(7) 0.077(4) Uani 1 1 d . . . . .
H27 H 0.452382 0.829530 0.058775 0.093 Uiso 1 1 calc R U . . .
C28 C 0.4429(6) 0.8731(6) -0.0465(7) 0.060(3) Uani 1 1 d . . . . .
H28 H 0.393786 0.897801 -0.054717 0.072 Uiso 1 1 calc R U . . .
C29 C 0.4819(6) 0.8754(7) -0.0996(6) 0.058(3) Uani 1 1 d . . . . .
H29 H 0.459085 0.901095 -0.145885 0.070 Uiso 1 1 calc R U . . .
C30 C 0.5536(5) 0.8415(5) -0.0887(5) 0.040(2) Uani 1 1 d . . . . .
H30 H 0.579100 0.845769 -0.127485 0.048 Uiso 1 1 calc R U . . .
C31 C 0.7180(4) 0.7584(4) -0.0805(4) 0.0281(18) Uani 1 1 d . . . . .
H31A H 0.685910 0.800531 -0.121472 0.034 Uiso 1 1 calc R U . . .
H31B H 0.762955 0.767917 -0.082447 0.034 Uiso 1 1 calc R U . . .
C32 C 0.7314(4) 0.6871(4) -0.0876(4) 0.0266(17) Uani 1 1 d . . . . .
C33 C 0.6648(5) 0.6644(4) -0.0749(4) 0.0305(18) Uani 1 1 d . . . . .
H33A H 0.668381 0.630284 -0.094760 0.037 Uiso 1 1 calc R U . . .
H33B H 0.624066 0.709516 -0.101344 0.037 Uiso 1 1 calc R U . . .
C34 C 0.7972(5) 0.6260(5) -0.0417(4) 0.0339(19) Uani 1 1 d . . . . .
H34A H 0.837540 0.642759 -0.060047 0.041 Uiso 1 1 calc R U . . .
H34B H 0.802688 0.581837 -0.047954 0.041 Uiso 1 1 calc R U . . .
C35 C 0.7452(5) 0.7057(5) -0.1626(4) 0.0317(19) Uani 1 1 d . . . . .
H35A H 0.702398 0.741053 -0.194006 0.048 Uiso 1 1 calc R U . . .
H35B H 0.759514 0.660239 -0.167442 0.048 Uiso 1 1 calc R U . . .
H35C H 0.782458 0.727806 -0.174596 0.048 Uiso 1 1 calc R U . . .
C36 C 0.6653(4) 0.5217(4) 0.0375(4) 0.0294(18) Uani 1 1 d . . . . .
C37 C 0.7068(5) 0.4906(5) -0.0016(4) 0.035(2) Uani 1 1 d . . . . .
H37 H 0.724559 0.520551 -0.041718 0.042 Uiso 1 1 calc R U . . .
C38 C 0.7219(5) 0.4155(5) 0.0186(5) 0.042(2) Uani 1 1 d . . . . .
H38 H 0.750532 0.393986 -0.007281 0.050 Uiso 1 1 calc R U . . .
C39 C 0.6953(5) 0.3725(5) 0.0761(5) 0.044(2) Uani 1 1 d . . . . .
H39 H 0.705366 0.321350 0.089512 0.052 Uiso 1 1 calc R U . . .
C40 C 0.6539(5) 0.4031(5) 0.1143(4) 0.039(2) Uani 1 1 d . . . . .
H40 H 0.636572 0.372913 0.154588 0.047 Uiso 1 1 calc R U . . .
C41 C 0.6380(5) 0.4779(4) 0.0939(4) 0.0328(19) Uani 1 1 d . . . . .
H41 H 0.607766 0.499297 0.119052 0.039 Uiso 1 1 calc R U . . .
C42 C 0.5518(5) 0.6503(4) 0.0158(4) 0.0309(19) Uani 1 1 d . . . . .
C43 C 0.5078(5) 0.6747(5) -0.0434(5) 0.042(2) Uani 1 1 d . . . . .
H43 H 0.526589 0.677702 -0.085245 0.051 Uiso 1 1 calc R U . . .
C44 C 0.4363(5) 0.6945(5) -0.0409(5) 0.043(2) Uani 1 1 d . . . . .
H44 H 0.406249 0.713233 -0.082179 0.052 Uiso 1 1 calc R U . . .
C45 C 0.4077(5) 0.6877(6) 0.0193(5) 0.047(2) Uani 1 1 d . . . . .
H45 H 0.358426 0.700841 0.019885 0.056 Uiso 1 1 calc R U . . .
C46 C 0.4510(5) 0.6617(6) 0.0793(5) 0.050(3) Uani 1 1 d . . . . .
H46 H 0.431893 0.655394 0.121829 0.060 Uiso 1 1 calc R U . . .
C47 C 0.5226(5) 0.6450(5) 0.0768(5) 0.042(2) Uani 1 1 d . . . . .
H47 H 0.552186 0.629788 0.117223 0.051 Uiso 1 1 calc R U . . .
C48 C 0.8493(4) 0.4957(5) 0.0870(4) 0.0323(19) Uani 1 1 d . . . . .
C49 C 0.9159(5) 0.4748(5) 0.0670(5) 0.044(2) Uani 1 1 d . . . . .
H49 H 0.936415 0.511837 0.040588 0.053 Uiso 1 1 calc R U . . .
C50 C 0.9522(5) 0.4021(5) 0.0847(5) 0.050(3) Uani 1 1 d . . . . .
H50 H 0.997473 0.389306 0.070597 0.061 Uiso 1 1 calc R U . . .
C51 C 0.9234(5) 0.3477(5) 0.1226(5) 0.048(2) Uani 1 1 d . . . . .
H51 H 0.948143 0.297304 0.134508 0.057 Uiso 1 1 calc R U . . .
C52 C 0.8576(5) 0.3679(5) 0.1432(5) 0.047(2) Uani 1 1 d . . . . .
H52 H 0.837334 0.330553 0.169285 0.057 Uiso 1 1 calc R U . . .
C53 C 0.8209(5) 0.4404(5) 0.1268(4) 0.038(2) Uani 1 1 d . . . . .
H53 H 0.776429 0.452557 0.142536 0.046 Uiso 1 1 calc R U . . .
C54 C 0.8743(5) 0.6206(5) 0.0746(4) 0.038(2) Uani 1 1 d . . . . .
C55 C 0.8964(5) 0.5905(6) 0.1455(5) 0.045(2) Uani 1 1 d . . . . .
H55 H 0.875348 0.557862 0.179455 0.055 Uiso 1 1 calc R U . . .
C56 C 0.9475(6) 0.6072(6) 0.1668(5) 0.055(3) Uani 1 1 d . . . . .
H56 H 0.962358 0.585588 0.215147 0.066 Uiso 1 1 calc R U . . .
C57 C 0.9780(6) 0.6564(7) 0.1172(6) 0.068(3) Uani 1 1 d . . . . .
H57 H 1.012544 0.669547 0.131787 0.081 Uiso 1 1 calc R U . . .
C58 C 0.9578(6) 0.6854(6) 0.0474(5) 0.057(3) Uani 1 1 d . . . . .
H58 H 0.978741 0.718450 0.013840 0.068 Uiso 1 1 calc R U . . .
C59 C 0.9075(5) 0.6671(5) 0.0257(5) 0.041(2) Uani 1 1 d . . . . .
H59 H 0.895178 0.686156 -0.022817 0.050 Uiso 1 1 calc R U . . .
C60 C 0.5990(4) 0.1371(4) 0.5626(4) 0.0268(17) Uani 1 1 d . . . . .
C61 C 0.5673(5) 0.1953(5) 0.4979(4) 0.037(2) Uani 1 1 d . . . . .
H61 H 0.552710 0.244801 0.491173 0.044 Uiso 1 1 calc R U . . .
C62 C 0.5566(5) 0.1823(5) 0.4422(5) 0.040(2) Uani 1 1 d . . . . .
H62 H 0.535035 0.222981 0.398044 0.049 Uiso 1 1 calc R U . . .
C63 C 0.5770(5) 0.1113(5) 0.4510(5) 0.041(2) Uani 1 1 d . . . . .
H63 H 0.568777 0.102568 0.413370 0.049 Uiso 1 1 calc R U . . .
C64 C 0.6096(5) 0.0522(5) 0.5150(5) 0.039(2) Uani 1 1 d . . . . .
H64 H 0.624891 0.003014 0.520879 0.047 Uiso 1 1 calc R U . . .
C65 C 0.6201(5) 0.0646(5) 0.5707(4) 0.0339(19) Uani 1 1 d . . . . .
H65 H 0.641736 0.023668 0.614636 0.041 Uiso 1 1 calc R U . . .
C66 C 0.5190(4) 0.2221(4) 0.6230(4) 0.0276(17) Uani 1 1 d . . . . .
C67 C 0.5103(5) 0.2962(5) 0.6036(4) 0.038(2) Uani 1 1 d . . . . .
H67 H 0.549756 0.311786 0.600302 0.046 Uiso 1 1 calc R U . . .
C68 C 0.4436(5) 0.3461(5) 0.5893(5) 0.050(2) Uani 1 1 d . . . . .
H68 H 0.437220 0.396266 0.577255 0.060 Uiso 1 1 calc R U . . .
C69 C 0.3863(6) 0.3247(6) 0.5921(6) 0.056(3) Uani 1 1 d . . . . .
H69 H 0.340685 0.360309 0.580136 0.068 Uiso 1 1 calc R U . . .
C70 C 0.3947(5) 0.2509(6) 0.6125(6) 0.055(3) Uani 1 1 d . . . . .
H70 H 0.355256 0.235140 0.616484 0.065 Uiso 1 1 calc R U . . .
C71 C 0.4623(4) 0.2006(5) 0.6271(5) 0.036(2) Uani 1 1 d . . . . .
H71 H 0.468737 0.150214 0.640189 0.044 Uiso 1 1 calc R U . . .
C72 C 0.6059(4) 0.0704(4) 0.7132(4) 0.0278(17) Uani 1 1 d . . . . .
H72A H 0.567753 0.083573 0.739899 0.033 Uiso 1 1 calc R U . . .
H72B H 0.594850 0.037851 0.697487 0.033 Uiso 1 1 calc R U . . .
C73 C 0.6746(4) 0.0259(4) 0.7627(4) 0.0294(18) Uani 1 1 d . . . . .
C74 C 0.6828(5) 0.0613(4) 0.8072(4) 0.0313(18) Uani 1 1 d . . . . .
H74A H 0.729105 0.032775 0.835285 0.038 Uiso 1 1 calc R U . . .
H74B H 0.646952 0.055675 0.840202 0.038 Uiso 1 1 calc R U . . .
C75 C 0.7384(4) 0.0128(4) 0.7220(4) 0.0313(18) Uani 1 1 d . . . . .
H75A H 0.725452 -0.001992 0.688547 0.038 Uiso 1 1 calc R U . . .
H75B H 0.777122 -0.029970 0.755822 0.038 Uiso 1 1 calc R U . . .
C76 C 0.6700(5) -0.0510(4) 0.8121(4) 0.034(2) Uani 1 1 d . . . . .
H76A H 0.665910 -0.075909 0.784989 0.051 Uiso 1 1 calc R U . . .
H76B H 0.628897 -0.045623 0.837355 0.051 Uiso 1 1 calc R U . . .
H76C H 0.712309 -0.080734 0.845571 0.051 Uiso 1 1 calc R U . . .
C77 C 0.7281(5) 0.1630(4) 0.8264(4) 0.0320(19) Uani 1 1 d . . . . .
C78 C 0.6979(6) 0.1623(6) 0.8851(5) 0.049(3) Uani 1 1 d . . . . .
H78 H 0.650230 0.165082 0.887650 0.059 Uiso 1 1 calc R U . . .
C79 C 0.7333(6) 0.1578(6) 0.9396(5) 0.057(3) Uani 1 1 d . . . . .
H79 H 0.711199 0.157058 0.979449 0.069 Uiso 1 1 calc R U . . .
C80 C 0.8019(6) 0.1545(6) 0.9350(5) 0.056(3) Uani 1 1 d . . . . .
H80 H 0.827656 0.151849 0.971991 0.068 Uiso 1 1 calc R U . . .
C81 C 0.8340(5) 0.1550(6) 0.8768(5) 0.050(3) Uani 1 1 d . . . . .
H81 H 0.881587 0.152516 0.874202 0.060 Uiso 1 1 calc R U . . .
C82 C 0.7972(5) 0.1590(5) 0.8232(4) 0.040(2) Uani 1 1 d . . . . .
H82 H 0.819361 0.158962 0.783568 0.049 Uiso 1 1 calc R U . . .
C83 C 0.5887(5) 0.2136(5) 0.7673(4) 0.035(2) Uani 1 1 d . . . . .
C84 C 0.5343(5) 0.1868(6) 0.7898(5) 0.046(2) Uani 1 1 d . . . . .
H84 H 0.540960 0.135880 0.805225 0.055 Uiso 1 1 calc R U . . .
C85 C 0.4677(6) 0.2355(7) 0.7901(5) 0.061(3) Uani 1 1 d . . . . .
H85 H 0.430028 0.216768 0.805202 0.073 Uiso 1 1 calc R U . . .
C86 C 0.4573(7) 0.3087(7) 0.7689(6) 0.063(3) Uani 1 1 d . . . . .
H86 H 0.412557 0.341413 0.767981 0.076 Uiso 1 1 calc R U . . .
C87 C 0.5140(7) 0.3345(6) 0.7485(6) 0.065(3) Uani 1 1 d . . . . .
H87 H 0.508365 0.384675 0.735883 0.078 Uiso 1 1 calc R U . . .
C88 C 0.5780(5) 0.2877(5) 0.7467(4) 0.044(2) Uani 1 1 d . . . . .
H88 H 0.615413 0.306698 0.731047 0.053 Uiso 1 1 calc R U . . .
C89 C 0.8511(5) 0.0704(4) 0.7247(4) 0.0343(19) Uani 1 1 d . . . . .
C90 C 0.8739(5) 0.0108(5) 0.7930(5) 0.042(2) Uani 1 1 d . . . . .
H90 H 0.846604 -0.020369 0.815475 0.050 Uiso 1 1 calc R U . . .
C91 C 0.9355(6) -0.0013(7) 0.8263(6) 0.065(3) Uani 1 1 d . . . . .
H91 H 0.951801 -0.042276 0.871525 0.078 Uiso 1 1 calc R U . . .
C92 C 0.9756(6) 0.0462(7) 0.7944(7) 0.069(3) Uani 1 1 d . . . . .
H92 H 1.018147 0.038103 0.817857 0.082 Uiso 1 1 calc R U . . .
C93 C 0.9514(6) 0.1040(6) 0.7291(6) 0.055(3) Uani 1 1 d . . . . .
H93 H 0.977802 0.136312 0.707236 0.066 Uiso 1 1 calc R U . . .
C94 C 0.8911(5) 0.1168(5) 0.6946(5) 0.043(2) Uani 1 1 d . . . . .
H94 H 0.875694 0.157979 0.649325 0.052 Uiso 1 1 calc R U . . .
C95 C 0.8106(4) 0.0718(4) 0.6023(4) 0.0283(18) Uani 1 1 d . . . . .
C96 C 0.8779(5) 0.0205(5) 0.6162(5) 0.036(2) Uani 1 1 d . . . . .
H96 H 0.903566 -0.002601 0.660833 0.043 Uiso 1 1 calc R U . . .
C97 C 0.9070(5) 0.0035(5) 0.5636(5) 0.040(2) Uani 1 1 d . . . . .
H97 H 0.952880 -0.031203 0.572718 0.048 Uiso 1 1 calc R U . . .
C98 C 0.8701(5) 0.0362(5) 0.4995(5) 0.042(2) Uani 1 1 d . . . . .
H98 H 0.890665 0.025178 0.463874 0.051 Uiso 1 1 calc R U . . .
C99 C 0.8039(5) 0.0848(5) 0.4867(4) 0.036(2) Uani 1 1 d . . . . .
H99 H 0.778123 0.106395 0.442277 0.043 Uiso 1 1 calc R U . . .
C100 C 0.7729(5) 0.1035(4) 0.5381(4) 0.0297(18) Uani 1 1 d . . . . .
H100 H 0.726638 0.137493 0.528643 0.036 Uiso 1 1 calc R U . . .
C101 C 0.8646(4) 0.5972(4) 0.7502(4) 0.0239(16) Uani 1 1 d . . . . .
C102 C 0.8042(4) 0.5783(4) 0.7554(4) 0.0277(18) Uani 1 1 d . . . . .
H102 H 0.769749 0.602967 0.716292 0.033 Uiso 1 1 calc R U . . .
C103 C 0.7943(5) 0.5227(5) 0.8186(4) 0.037(2) Uani 1 1 d . . . . .
H103 H 0.753806 0.508573 0.821998 0.044 Uiso 1 1 calc R U . . .
C104 C 0.8438(5) 0.4886(5) 0.8761(4) 0.041(2) Uani 1 1 d . . . . .
H104 H 0.837237 0.451307 0.919263 0.050 Uiso 1 1 calc R U . . .
C105 C 0.9024(6) 0.5089(5) 0.8703(5) 0.049(3) Uani 1 1 d . . . . .
H105 H 0.936147 0.485435 0.909874 0.059 Uiso 1 1 calc R U . . .
C106 C 0.9130(5) 0.5622(5) 0.8088(4) 0.040(2) Uani 1 1 d . . . . .
H106 H 0.953926 0.575483 0.806116 0.047 Uiso 1 1 calc R U . . .
C107 C 0.9723(4) 0.6514(4) 0.6803(4) 0.0287(18) Uani 1 1 d . . . . .
C108 C 1.0124(5) 0.5922(5) 0.6709(4) 0.039(2) Uani 1 1 d . . . . .
H108 H 0.989770 0.564679 0.661139 0.047 Uiso 1 1 calc R U . . .
C109 C 1.0830(5) 0.5716(5) 0.6752(4) 0.042(2) Uani 1 1 d . . . . .
H109 H 1.109346 0.530809 0.667832 0.050 Uiso 1 1 calc R U . . .
C110 C 1.1162(5) 0.6105(5) 0.6902(5) 0.050(3) Uani 1 1 d . . . . .
H110 H 1.165812 0.596561 0.693337 0.059 Uiso 1 1 calc R U . . .
C111 C 1.0776(5) 0.6701(5) 0.7009(5) 0.047(2) Uani 1 1 d . . . . .
H111 H 1.100583 0.697296 0.710785 0.056 Uiso 1 1 calc R U . . .
C112 C 1.0048(5) 0.6900(5) 0.6972(4) 0.035(2) Uani 1 1 d . . . . .
H112 H 0.978076 0.729564 0.706129 0.042 Uiso 1 1 calc R U . . .
C113 C 0.8371(4) 0.7513(4) 0.6903(4) 0.0267(17) Uani 1 1 d . . . . .
H11A H 0.796421 0.742583 0.715931 0.032 Uiso 1 1 calc R U . . .
H11B H 0.871033 0.750619 0.722023 0.032 Uiso 1 1 calc R U . . .
C114 C 0.8119(4) 0.8293(4) 0.6273(4) 0.0279(17) Uani 1 1 d . . . . .
C115 C 0.8704(4) 0.8426(4) 0.5791(4) 0.0289(18) Uani 1 1 d . . . . .
H11C H 0.914597 0.825175 0.608693 0.035 Uiso 1 1 calc R U . . .
H11D H 0.858651 0.896790 0.548975 0.035 Uiso 1 1 calc R U . . .
C116 C 0.7436(4) 0.8426(4) 0.5885(4) 0.0280(17) Uani 1 1 d . . . . .
H11E H 0.730935 0.892572 0.547487 0.034 Uiso 1 1 calc R U . . .
H11F H 0.706512 0.844212 0.619683 0.034 Uiso 1 1 calc R U . . .
C117 C 0.7952(5) 0.8859(4) 0.6550(4) 0.0315(19) Uani 1 1 d . . . . .
H11G H 0.781040 0.936193 0.615705 0.047 Uiso 1 1 calc R U . . .
H11H H 0.836865 0.877482 0.682654 0.047 Uiso 1 1 calc R U . . .
H11I H 0.757081 0.880148 0.684432 0.047 Uiso 1 1 calc R U . . .
C118 C 0.9797(4) 0.7740(4) 0.5169(4) 0.0283(18) Uani 1 1 d . . . . .
C119 C 1.0172(5) 0.7150(5) 0.5066(4) 0.040(2) Uani 1 1 d . . . . .
H119 H 0.994845 0.682302 0.506452 0.048 Uiso 1 1 calc R U . . .
C120 C 1.0873(5) 0.7021(6) 0.4964(5) 0.053(3) Uani 1 1 d . . . . .
H120 H 1.112396 0.661421 0.488330 0.064 Uiso 1 1 calc R U . . .
C121 C 1.1198(5) 0.7478(6) 0.4980(5) 0.054(3) Uani 1 1 d . . . . .
H121 H 1.167887 0.738771 0.490984 0.065 Uiso 1 1 calc R U . . .
C122 C 1.0844(5) 0.8065(6) 0.5095(5) 0.049(3) Uani 1 1 d . . . . .
H122 H 1.108027 0.837295 0.511561 0.059 Uiso 1 1 calc R U . . .
C123 C 1.0146(5) 0.8210(5) 0.5179(5) 0.040(2) Uani 1 1 d . . . . .
H123 H 0.989690 0.862730 0.524553 0.049 Uiso 1 1 calc R U . . .
C124 C 0.8541(4) 0.8748(4) 0.4351(4) 0.0299(18) Uani 1 1 d . . . . .
C125 C 0.8066(5) 0.9441(5) 0.4226(5) 0.039(2) Uani 1 1 d . . . . .
H125 H 0.789066 0.952327 0.460662 0.047 Uiso 1 1 calc R U . . .
C126 C 0.7849(6) 1.0013(5) 0.3541(6) 0.056(3) Uani 1 1 d . . . . .
H126 H 0.753210 1.048386 0.345930 0.067 Uiso 1 1 calc R U . . .
C127 C 0.8088(6) 0.9898(6) 0.2989(5) 0.054(3) Uani 1 1 d . . . . .
H127 H 0.792839 1.028480 0.252528 0.065 Uiso 1 1 calc R U . . .
C128 C 0.8567(6) 0.9213(6) 0.3107(5) 0.053(3) Uani 1 1 d . . . . .
H128 H 0.873697 0.913634 0.272297 0.064 Uiso 1 1 calc R U . . .
C129 C 0.8797(5) 0.8645(5) 0.3782(4) 0.036(2) Uani 1 1 d . . . . .
H129 H 0.913015 0.818318 0.385798 0.043 Uiso 1 1 calc R U . . .
C130 C 0.6834(4) 0.8416(4) 0.4748(4) 0.0326(19) Uani 1 1 d . . . . .
C131 C 0.7046(5) 0.8584(5) 0.4091(4) 0.041(2) Uani 1 1 d . . . . .
H131 H 0.749935 0.831349 0.404127 0.049 Uiso 1 1 calc R U . . .
C132 C 0.6597(5) 0.9147(5) 0.3508(5) 0.048(2) Uani 1 1 d . . . . .
H132 H 0.673758 0.925897 0.305495 0.057 Uiso 1 1 calc R U . . .
C133 C 0.5948(5) 0.9544(5) 0.3582(5) 0.048(2) Uani 1 1 d . . . . .
H133 H 0.565014 0.994302 0.317822 0.058 Uiso 1 1 calc R U . . .
C134 C 0.5721(5) 0.9377(5) 0.4227(5) 0.050(3) Uani 1 1 d . . . . .
H134 H 0.526526 0.964818 0.427025 0.060 Uiso 1 1 calc R U . . .
C135 C 0.6168(5) 0.8803(5) 0.4819(5) 0.041(2) Uani 1 1 d . . . . .
H135 H 0.601611 0.867745 0.526928 0.049 Uiso 1 1 calc R U . . .
C136 C 0.6842(4) 0.7256(4) 0.6090(4) 0.0298(18) Uani 1 1 d . . . . .
C137 C 0.6580(5) 0.7304(5) 0.6670(5) 0.038(2) Uani 1 1 d . . . . .
H137 H 0.669342 0.761588 0.681609 0.046 Uiso 1 1 calc R U . . .
C138 C 0.6149(5) 0.6899(5) 0.7045(5) 0.046(2) Uani 1 1 d . . . . .
H138 H 0.596510 0.693698 0.744288 0.056 Uiso 1 1 calc R U . . .
C139 C 0.5994(5) 0.6447(6) 0.6832(6) 0.058(3) Uani 1 1 d . . . . .
H139 H 0.571510 0.615499 0.709561 0.070 Uiso 1 1 calc R U . . .
C140 C 0.6238(5) 0.6409(5) 0.6239(6) 0.051(3) Uani 1 1 d . . . . .
H140 H 0.611199 0.610965 0.608421 0.061 Uiso 1 1 calc R U . . .
C141 C 0.6667(5) 0.6812(5) 0.5873(5) 0.037(2) Uani 1 1 d . . . . .
H141 H 0.684164 0.678285 0.546955 0.045 Uiso 1 1 calc R U . . .
Co1 Co 0.70501(6) 0.64214(6) 0.08449(5) 0.0266(3) Uani 1 1 d . . . . .
Co2 Co 0.69213(6) 0.19568(5) 0.64973(5) 0.0244(2) Uani 1 1 d . . . . .
Co3 Co 0.84495(6) 0.70241(5) 0.56209(5) 0.0238(2) Uani 1 1 d . . . . .
P1 P 0.68160(12) 0.75810(11) -0.00232(10) 0.0297(5) Uani 1 1 d . . . . .
P2 P 0.64694(12) 0.61932(11) 0.01649(10) 0.0267(5) Uani 1 1 d . . . . .
P3 P 0.80426(12) 0.59531(11) 0.05374(10) 0.0290(5) Uani 1 1 d . . . . .
P4 P 0.60656(11) 0.15604(11) 0.63569(10) 0.0260(4) Uani 1 1 d . . . . .
P5 P 0.67563(12) 0.15848(11) 0.76210(10) 0.0281(5) Uani 1 1 d . . . . .
P6 P 0.77200(11) 0.08980(11) 0.67366(10) 0.0271(5) Uani 1 1 d . . . . .
P7 P 0.87763(11) 0.67440(11) 0.67130(10) 0.0241(4) Uani 1 1 d . . . . .
P8 P 0.88629(11) 0.79784(11) 0.52275(10) 0.0245(4) Uani 1 1 d . . . . .
P9 P 0.74080(11) 0.77624(11) 0.55719(10) 0.0270(4) Uani 1 1 d . . . . .
S1 S 0.72993(13) 0.68357(11) 0.15098(9) 0.0331(5) Uani 1 1 d . . . . .
S2 S 0.69023(11) 0.54926(10) 0.17442(9) 0.0268(4) Uani 1 1 d . . . . .
S3 S 0.67491(11) 0.26586(11) 0.53749(9) 0.0279(4) Uani 1 1 d . . . . .
S4 S 0.73604(12) 0.26927(11) 0.66114(10) 0.0316(5) Uani 1 1 d . . . . .
S5 S 0.84177(11) 0.59076(10) 0.60655(9) 0.0268(4) Uani 1 1 d . . . . .
S6 S 0.84732(11) 0.70754(11) 0.46006(10) 0.0285(4) Uani 1 1 d . . . . .
B1 B 0.2417(7) 0.8438(7) -0.1194(6) 0.049(3) Uani 1 1 d . . . . .
F1 F 0.1780(4) 0.8960(4) -0.1297(3) 0.0723(18) Uani 1 1 d . . . . .
F2 F 0.2932(4) 0.8731(5) -0.1186(4) 0.108(3) Uani 1 1 d . . . . .
F3 F 0.2501(4) 0.8230(4) -0.1718(3) 0.0703(18) Uani 1 1 d . . . . .
F4 F 0.2497(4) 0.7815(4) -0.0553(3) 0.0734(19) Uani 1 1 d . . . . .
B2 B 0.9056(12) 0.8044(14) -0.1679(11) 0.043(4) Uani 0.58(2) 1 d D . P A 1
F5 F 0.8383(9) 0.8500(11) -0.1705(10) 0.057(4) Uani 0.58(2) 1 d D . P A 1
F6 F 0.9299(11) 0.8310(12) -0.2318(10) 0.057(4) Uani 0.58(2) 1 d D . P A 1
F7 F 0.9504(15) 0.803(3) -0.1190(16) 0.052(4) Uani 0.58(2) 1 d D . P A 1
F8 F 0.905(2) 0.7319(10) -0.146(2) 0.051(5) Uani 0.58(2) 1 d D . P A 1
B2' B 0.9028(16) 0.8129(18) -0.1603(15) 0.043(4) Uani 0.42(2) 1 d D . P A 2
F5' F 0.8424(14) 0.8492(16) -0.1407(13) 0.057(4) Uani 0.42(2) 1 d D . P A 2
F6' F 0.9141(16) 0.8596(16) -0.2255(14) 0.057(4) Uani 0.42(2) 1 d D . P A 2
F7' F 0.960(2) 0.791(4) -0.112(2) 0.052(4) Uani 0.42(2) 1 d D . P A 2
F8' F 0.896(3) 0.7489(16) -0.158(3) 0.051(5) Uani 0.42(2) 1 d D . P A 2
B3 B 0.4268(5) 1.1223(6) 0.2832(5) 0.036(2) Uani 1 1 d . . . . .
F9 F 0.4228(3) 1.1919(3) 0.2284(3) 0.0490(13) Uani 1 1 d . . . . .
F10 F 0.4567(3) 1.0691(3) 0.2616(3) 0.0486(13) Uani 1 1 d . . . . .
F11 F 0.4675(3) 1.1096(3) 0.3399(3) 0.0577(15) Uani 1 1 d . . . . .
F12 F 0.3600(3) 1.1217(3) 0.3002(3) 0.0517(14) Uani 1 1 d . . . . .
C142 C 0.5434(6) 0.4621(6) 0.2807(6) 0.064(3) Uani 1 1 d . . . . .
H14A H 0.545321 0.479832 0.230463 0.096 Uiso 1 1 calc R U . . .
H14B H 0.567175 0.486266 0.296630 0.096 Uiso 1 1 calc R U . . .
H14C H 0.494433 0.474181 0.290181 0.096 Uiso 1 1 calc R U . . .
C143 C 0.5777(5) 0.3823(5) 0.3176(5) 0.050(2) Uani 1 1 d . . . . .
H14D H 0.566758 0.362395 0.366516 0.060 Uiso 1 1 calc R U . . .
H14E H 0.561024 0.358342 0.294991 0.060 Uiso 1 1 calc R U . . .
C144 C 0.6892(6) 0.2912(6) 0.3390(6) 0.056(3) Uani 1 1 d . . . . .
H14F H 0.672002 0.272915 0.310759 0.067 Uiso 1 1 calc R U . . .
H14G H 0.683540 0.261371 0.388489 0.067 Uiso 1 1 calc R U . . .
C145 C 0.7623(6) 0.2842(7) 0.3313(7) 0.073(3) Uani 1 1 d . . . . .
H14H H 0.787376 0.236397 0.332417 0.110 Uiso 1 1 calc R U . . .
H14I H 0.782830 0.286769 0.369622 0.110 Uiso 1 1 calc R U . . .
H14J H 0.765913 0.324638 0.286664 0.110 Uiso 1 1 calc R U . . .
O1 O 0.6507(3) 0.3673(4) 0.3159(3) 0.0473(16) Uani 1 1 d . . . . .
C146 C 0.744251 0.396719 0.755755 0.128 Uani 0.7845 1 d . . P B 1
H14K H 0.726611 0.441910 0.711111 0.192 Uiso 0.7845 1 d . U P B 1
H14L H 0.723817 0.406314 0.793722 0.192 Uiso 0.7845 1 d . U P B 1
H14M H 0.731263 0.356790 0.755073 0.192 Uiso 0.7845 1 d . U P B 1
C147 C 0.822063 0.374084 0.766971 0.128 Uani 0.7845 1 d . . P B 1
H14N H 0.835269 0.413366 0.769814 0.154 Uiso 0.7845 1 d . U P B 1
H14O H 0.840119 0.327865 0.811588 0.154 Uiso 0.7845 1 d . U P B 1
C148 C 0.928249 0.332934 0.714491 0.128 Uani 0.7845 1 d . . P B 1
H14P H 0.948239 0.366580 0.720450 0.154 Uiso 0.7845 1 d . U P B 1
H14Q H 0.945259 0.283932 0.756571 0.154 Uiso 0.7845 1 d . U P B 1
C149 C 0.952965 0.324814 0.655562 0.128 Uani 0.7845 1 d . . P B 1
H14R H 0.925707 0.301215 0.642826 0.192 Uiso 0.7845 1 d . U P B 1
H14S H 1.002394 0.293806 0.666688 0.192 Uiso 0.7845 1 d . U P B 1
H14T H 0.947914 0.373796 0.616355 0.192 Uiso 0.7845 1 d . U P B 1
O2 O 0.853061 0.361959 0.709620 0.076 Uani 0.7845 1 d . . P B 1
C150 C 0.716624 0.416688 0.715209 0.128 Uani 0.2155 1 d . . P B 2
H15A H 0.673753 0.439826 0.730441 0.192 Uiso 0.2155 1 d . U P B 2
H15B H 0.732900 0.455402 0.679375 0.192 Uiso 0.2155 1 d . U P B 2
H15C H 0.707025 0.386830 0.695837 0.192 Uiso 0.2155 1 d . U P B 2
C151 C 0.771157 0.368481 0.775438 0.128 Uani 0.2155 1 d . . P B 2
H15D H 0.780249 0.398547 0.795447 0.154 Uiso 0.2155 1 d . U P B 2
H15E H 0.754347 0.329903 0.811926 0.154 Uiso 0.2155 1 d . U P B 2
C152 C 0.898939 0.342947 0.772619 0.128 Uani 0.2155 1 d . . P B 2
H15F H 0.885899 0.379768 0.790363 0.154 Uiso 0.2155 1 d . U P B 2
H15G H 0.929665 0.295295 0.810109 0.154 Uiso 0.2155 1 d . U P B 2
C153 C 0.936423 0.368110 0.712562 0.128 Uani 0.2155 1 d . . P B 2
H15H H 0.919117 0.422501 0.687145 0.192 Uiso 0.2155 1 d . U P B 2
H15I H 0.929128 0.348216 0.681829 0.192 Uiso 0.2155 1 d . U P B 2
H15J H 0.986469 0.350694 0.727943 0.192 Uiso 0.2155 1 d . U P B 2
O3 O 0.835986 0.332910 0.754873 0.076 Uani 0.2155 1 d . . P B 2
C154 C 0.570026 0.488853 0.593900 0.128 Uani 0.5 1 d . . P C -1
H15K H 0.617212 0.465860 0.618885 0.192 Uiso 0.5 1 d . U P D -1
H15L H 0.557450 0.543024 0.571478 0.192 Uiso 0.5 1 d . U P E -1
H15M H 0.536577 0.473465 0.626962 0.192 Uiso 0.5 1 d . U P F -1
C155 C 0.568284 0.465176 0.540480 0.128 Uani 0.5 1 d . . P C -1
H15N H 0.602266 0.480190 0.507124 0.154 Uiso 0.5 1 d . U P G -1
H15O H 0.581334 0.410436 0.562763 0.154 Uiso 0.5 1 d . U P H -1
C156 C 0.499966 0.484591 0.444108 0.128 Uani 0.5 1 d . . P C -1
H15P H 0.516932 0.430700 0.458750 0.154 Uiso 0.5 1 d . U P I -1
H15Q H 0.529857 0.508061 0.409818 0.154 Uiso 0.5 1 d . U P J -1
C157 C 0.423350 0.519555 0.412050 0.128 Uani 0.5 1 d . . P C -1
H15R H 0.419305 0.512367 0.371118 0.192 Uiso 0.5 1 d . U P K -1
H15S H 0.394463 0.495835 0.446615 0.192 Uiso 0.5 1 d . U P L -1
H15T H 0.407322 0.572806 0.397929 0.192 Uiso 0.5 1 d . U P M -1
O4 O 0.501929 0.497698 0.505745 0.076 Uani 0.5 1 d . . P C -1
C158 C 0.5669(6) 1.2374(7) 0.2268(5) 0.052(3) Uani 1 1 d . . . . .
C159 C 0.5959(6) 1.1608(7) 0.2408(6) 0.066(3) Uani 1 1 d . . . . .
H15U H 0.562014 1.148148 0.222020 0.099 Uiso 1 1 calc R U . . .
H15V H 0.606485 1.128454 0.291276 0.099 Uiso 1 1 calc R U . . .
H15W H 0.638998 1.153883 0.218486 0.099 Uiso 1 1 calc R U . . .
N1 N 0.5418(6) 1.2983(7) 0.2148(6) 0.075(3) Uani 1 1 d . . . . .
C160 C 1.0700(7) 0.8679(7) -0.2947(7) 0.071(4) Uani 1 1 d . . . . .
C161 C 1.0736(8) 0.8778(10) -0.2344(8) 0.103(5) Uani 1 1 d . . . . .
H16A H 1.068171 0.929816 -0.248911 0.155 Uiso 1 1 calc R U . . .
H16B H 1.118981 0.845723 -0.206471 0.155 Uiso 1 1 calc R U . . .
H16C H 1.036054 0.864798 -0.206371 0.155 Uiso 1 1 calc R U . . .
N2 N 1.0652(8) 0.8621(8) -0.3421(8) 0.114(5) Uani 1 1 d . . . . .
C162 C 0.5914(7) 0.4988(7) 0.8773(6) 0.063(3) Uani 1 1 d . . . . .
C163 C 0.5402(6) 0.5116(7) 0.9221(7) 0.068(3) Uani 1 1 d . . . . .
H16D H 0.502470 0.558556 0.894970 0.102 Uiso 1 1 calc R U . . .
H16E H 0.562274 0.514126 0.959691 0.102 Uiso 1 1 calc R U . . .
H16F H 0.520876 0.470835 0.942287 0.102 Uiso 1 1 calc R U . . .
N3 N 0.6319(7) 0.4867(7) 0.8412(7) 0.098(4) 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
C1 C18 1.380(10) . ?
C1 C2 1.397(10) . ?
C1 S1 1.741(7) . ?
C2 C3 1.376(10) . ?
C2 S2 1.730(7) . ?
C3 C4 1.391(10) . ?
C3 H3 0.9500 . ?
C4 C17 1.426(10) . ?
C4 C5 1.448(10) . ?
C5 C6 1.406(10) . ?
C5 C10 1.430(10) . ?
C6 C7 1.372(10) . ?
C6 H6 0.9500 . ?
C7 C8 1.398(11) . ?
C7 S3 1.741(7) . ?
C8 C9 1.393(10) . ?
C8 S4 1.731(7) . ?
C9 C10 1.388(10) . ?
C9 H9 0.9500 . ?
C10 C11 1.472(10) . ?
C11 C12 1.392(10) . ?
C11 C16 1.411(10) . ?
C12 C13 1.396(10) . ?
C12 H12 0.9500 . ?
C13 C14 1.394(10) . ?
C13 S5 1.724(7) . ?
C14 C15 1.397(10) . ?
C14 S6 1.738(7) . ?
C15 C16 1.401(10) . ?
C15 H15 0.9500 . ?
C16 C17 1.467(10) . ?
C17 C18 1.398(10) . ?
C18 H18 0.9500 . ?
C19 C20 1.323(15) . ?
C19 C24 1.387(15) . ?
C19 P1 1.850(9) . ?
C20 C21 1.402(14) . ?
C20 H20 0.9500 . ?
C21 C22 1.306(19) . ?
C21 H21 0.9500 . ?
C22 C23 1.44(2) . ?
C22 H22 0.9500 . ?
C23 C24 1.389(16) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C30 1.357(12) . ?
C25 C26 1.399(13) . ?
C25 P1 1.803(10) . ?
C26 C27 1.332(16) . ?
C26 H26 0.9500 . ?
C27 C28 1.382(17) . ?
C27 H27 0.9500 . ?
C28 C29 1.355(15) . ?
C28 H28 0.9500 . ?
C29 C30 1.380(14) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.547(11) . ?
C31 P1 1.814(8) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C35 1.522(10) . ?
C32 C34 1.523(11) . ?
C32 C33 1.546(11) . ?
C33 P2 1.842(8) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 P3 1.860(8) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 C41 1.377(11) . ?
C36 C37 1.404(11) . ?
C36 P2 1.840(8) . ?
C37 C38 1.391(12) . ?
C37 H37 0.9500 . ?
C38 C39 1.376(12) . ?
C38 H38 0.9500 . ?
C39 C40 1.381(13) . ?
C39 H39 0.9500 . ?
C40 C41 1.383(12) . ?
C40 H40 0.9500 . ?
C41 H41 0.9500 . ?
C42 C43 1.386(12) . ?
C42 C47 1.394(11) . ?
C42 P2 1.830(9) . ?
C43 C44 1.381(13) . ?
C43 H43 0.9500 . ?
C44 C45 1.367(13) . ?
C44 H44 0.9500 . ?
C45 C46 1.385(13) . ?
C45 H45 0.9500 . ?
C46 C47 1.385(13) . ?
C46 H46 0.9500 . ?
C47 H47 0.9500 . ?
C48 C53 1.390(11) . ?
C48 C49 1.396(12) . ?
C48 P3 1.828(9) . ?
C49 C50 1.370(13) . ?
C49 H49 0.9500 . ?
C50 C51 1.373(13) . ?
C50 H50 0.9500 . ?
C51 C52 1.385(14) . ?
C51 H51 0.9500 . ?
C52 C53 1.374(13) . ?
C52 H52 0.9500 . ?
C53 H53 0.9500 . ?
C54 C55 1.401(12) . ?
C54 C59 1.401(12) . ?
C54 P3 1.815(9) . ?
C55 C56 1.359(13) . ?
C55 H55 0.9500 . ?
C56 C57 1.401(15) . ?
C56 H56 0.9500 . ?
C57 C58 1.372(15) . ?
C57 H57 0.9500 . ?
C58 C59 1.375(13) . ?
C58 H58 0.9500 . ?
C59 H59 0.9500 . ?
C60 C61 1.384(11) . ?
C60 C65 1.404(11) . ?
C60 P4 1.834(7) . ?
C61 C62 1.400(12) . ?
C61 H61 0.9500 . ?
C62 C63 1.369(12) . ?
C62 H62 0.9500 . ?
C63 C64 1.386(13) . ?
C63 H63 0.9500 . ?
C64 C65 1.390(12) . ?
C64 H64 0.9500 . ?
C65 H65 0.9500 . ?
C66 C71 1.353(12) . ?
C66 C67 1.398(11) . ?
C66 P4 1.827(8) . ?
C67 C68 1.376(13) . ?
C67 H67 0.9500 . ?
C68 C69 1.368(14) . ?
C68 H68 0.9500 . ?
C69 C70 1.388(15) . ?
C69 H69 0.9500 . ?
C70 C71 1.391(13) . ?
C70 H70 0.9500 . ?
C71 H71 0.9500 . ?
C72 C73 1.540(11) . ?
C72 P4 1.841(7) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C73 C74 1.518(11) . ?
C73 C76 1.534(10) . ?
C73 C75 1.554(11) . ?
C74 P5 1.812(8) . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C75 P6 1.832(8) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
C77 C82 1.377(12) . ?
C77 C78 1.382(12) . ?
C77 P5 1.850(8) . ?
C78 C79 1.364(13) . ?
C78 H78 0.9500 . ?
C79 C80 1.370(15) . ?
C79 H79 0.9500 . ?
C80 C81 1.390(13) . ?
C80 H80 0.9500 . ?
C81 C82 1.369(12) . ?
C81 H81 0.9500 . ?
C82 H82 0.9500 . ?
C83 C84 1.372(13) . ?
C83 C88 1.385(12) . ?
C83 P5 1.818(9) . ?
C84 C85 1.422(14) . ?
C84 H84 0.9500 . ?
C85 C86 1.367(16) . ?
C85 H85 0.9500 . ?
C86 C87 1.397(17) . ?
C86 H86 0.9500 . ?
C87 C88 1.379(14) . ?
C87 H87 0.9500 . ?
C88 H88 0.9500 . ?
C89 C94 1.393(12) . ?
C89 C90 1.415(12) . ?
C89 P6 1.817(9) . ?
C90 C91 1.365(14) . ?
C90 H90 0.9500 . ?
C91 C92 1.415(16) . ?
C91 H91 0.9500 . ?
C92 C93 1.363(16) . ?
C92 H92 0.9500 . ?
C93 C94 1.350(14) . ?
C93 H93 0.9500 . ?
C94 H94 0.9500 . ?
C95 C100 1.376(11) . ?
C95 C96 1.396(12) . ?
C95 P6 1.844(8) . ?
C96 C97 1.401(12) . ?
C96 H96 0.9500 . ?
C97 C98 1.365(13) . ?
C97 H97 0.9500 . ?
C98 C99 1.361(13) . ?
C98 H98 0.9500 . ?
C99 C100 1.408(11) . ?
C99 H99 0.9500 . ?
C100 H100 0.9500 . ?
C101 C106 1.389(11) . ?
C101 C102 1.392(11) . ?
C101 P7 1.838(7) . ?
C102 C103 1.403(11) . ?
C102 H102 0.9500 . ?
C103 C104 1.387(13) . ?
C103 H103 0.9500 . ?
C104 C105 1.371(14) . ?
C104 H104 0.9500 . ?
C105 C106 1.367(12) . ?
C105 H105 0.9500 . ?
C106 H106 0.9500 . ?
C107 C108 1.372(12) . ?
C107 C112 1.383(11) . ?
C107 P7 1.820(8) . ?
C108 C109 1.354(13) . ?
C108 H108 0.9500 . ?
C109 C110 1.373(14) . ?
C109 H109 0.9500 . ?
C110 C111 1.387(14) . ?
C110 H110 0.9500 . ?
C111 C112 1.395(13) . ?
C111 H111 0.9500 . ?
C112 H112 0.9500 . ?
C113 C114 1.537(11) . ?
C113 P7 1.818(7) . ?
C113 H11A 0.9900 . ?
C113 H11B 0.9900 . ?
C114 C117 1.530(10) . ?
C114 C116 1.535(11) . ?
C114 C115 1.550(10) . ?
C115 P8 1.834(8) . ?
C115 H11C 0.9900 . ?
C115 H11D 0.9900 . ?
C116 P9 1.855(8) . ?
C116 H11E 0.9900 . ?
C116 H11F 0.9900 . ?
C117 H11G 0.9800 . ?
C117 H11H 0.9800 . ?
C117 H11I 0.9800 . ?
C118 C119 1.366(12) . ?
C118 C123 1.412(11) . ?
C118 P8 1.813(8) . ?
C119 C120 1.387(13) . ?
C119 H119 0.9500 . ?
C120 C121 1.358(15) . ?
C120 H120 0.9500 . ?
C121 C122 1.366(15) . ?
C121 H121 0.9500 . ?
C122 C123 1.372(12) . ?
C122 H122 0.9500 . ?
C123 H123 0.9500 . ?
C124 C129 1.400(11) . ?
C124 C125 1.403(12) . ?
C124 P8 1.825(8) . ?
C125 C126 1.399(13) . ?
C125 H125 0.9500 . ?
C126 C127 1.367(15) . ?
C126 H126 0.9500 . ?
C127 C128 1.396(15) . ?
C127 H127 0.9500 . ?
C128 C129 1.384(12) . ?
C128 H128 0.9500 . ?
C129 H129 0.9500 . ?
C130 C131 1.384(12) . ?
C130 C135 1.388(13) . ?
C130 P9 1.842(8) . ?
C131 C132 1.381(13) . ?
C131 H131 0.9500 . ?
C132 C133 1.370(14) . ?
C132 H132 0.9500 . ?
C133 C134 1.372(14) . ?
C133 H133 0.9500 . ?
C134 C135 1.395(12) . ?
C134 H134 0.9500 . ?
C135 H135 0.9500 . ?
C136 C137 1.377(12) . ?
C136 C141 1.378(11) . ?
C136 P9 1.818(8) . ?
C137 C138 1.394(12) . ?
C137 H137 0.9500 . ?
C138 C139 1.370(15) . ?
C138 H138 0.9500 . ?
C139 C140 1.384(15) . ?
C139 H139 0.9500 . ?
C140 C141 1.384(12) . ?
C140 H140 0.9500 . ?
C141 H141 0.9500 . ?
Co1 S2 2.151(2) . ?
Co1 S1 2.160(2) . ?
Co1 P3 2.170(2) . ?
Co1 P2 2.238(2) . ?
Co1 P1 2.239(2) . ?
Co2 S4 2.151(2) . ?
Co2 S3 2.170(2) . ?
Co2 P6 2.175(2) . ?
Co2 P5 2.235(2) . ?
Co2 P4 2.249(2) . ?
Co3 S5 2.158(2) . ?
Co3 S6 2.164(2) . ?
Co3 P9 2.175(2) . ?
Co3 P7 2.239(2) . ?
Co3 P8 2.246(2) . ?
B1 F1 1.361(14) . ?
B1 F2 1.384(14) . ?
B1 F3 1.386(13) . ?
B1 F4 1.390(13) . ?
B2 F6 1.369(15) . ?
B2 F5 1.391(17) . ?
B2 F8 1.405(16) . ?
B2 F7 1.411(17) . ?
B2' F6' 1.368(17) . ?
B2' F5' 1.392(19) . ?
B2' F8' 1.404(19) . ?
B2' F7' 1.411(19) . ?
B3 F11 1.385(11) . ?
B3 F10 1.385(11) . ?
B3 F12 1.389(12) . ?
B3 F9 1.399(11) . ?
C142 C143 1.450(14) . ?
C142 H14A 0.9800 . ?
C142 H14B 0.9800 . ?
C142 H14C 0.9800 . ?
C143 O1 1.413(12) . ?
C143 H14D 0.9900 . ?
C143 H14E 0.9900 . ?
C144 O1 1.418(12) . ?
C144 C145 1.450(15) . ?
C144 H14F 0.9900 . ?
C144 H14G 0.9900 . ?
C145 H14H 0.9800 . ?
C145 H14I 0.9800 . ?
C145 H14J 0.9800 . ?
C146 C147 1.4934 . ?
C146 H14K 0.9800 . ?
C146 H14L 0.9800 . ?
C146 H14M 0.9800 . ?
C147 O2 1.4585 . ?
C147 H14N 0.9900 . ?
C147 H14O 0.9900 . ?
C148 C149 1.4149 . ?
C148 O2 1.4418 . ?
C148 H14P 0.9900 . ?
C148 H14Q 0.9900 . ?
C149 H14R 0.9800 . ?
C149 H14S 0.9800 . ?
C149 H14T 0.9800 . ?
C150 C151 1.4766 . ?
C150 H15A 0.9800 . ?
C150 H15B 0.9800 . ?
C150 H15C 0.9800 . ?
C151 O3 1.4592 . ?
C151 H15D 0.9900 . ?
C151 H15E 0.9900 . ?
C152 C153 1.4436 . ?
C152 O3 1.4578 . ?
C152 H15F 0.9900 . ?
C152 H15G 0.9900 . ?
C153 H15H 0.9800 . ?
C153 H15I 0.9800 . ?
C153 H15J 0.9800 . ?
C154 C155 1.4695 . ?
C154 H15K 0.9800 . ?
C154 H15L 0.9800 . ?
C154 H15M 0.9800 . ?
C155 O4 1.3747 . ?
C155 H15N 0.9900 . ?
C155 H15O 0.9900 . ?
C156 O4 1.4924 . ?
C156 C157 1.5336 . ?
C156 H15P 0.9900 . ?
C156 H15Q 0.9900 . ?
C157 H15R 0.9800 . ?
C157 H15S 0.9800 . ?
C157 H15T 0.9800 . ?
C158 N1 1.148(14) . ?
C158 C159 1.445(16) . ?
C159 H15U 0.9800 . ?
C159 H15V 0.9800 . ?
C159 H15W 0.9800 . ?
C160 N2 1.105(17) . ?
C160 C161 1.426(18) . ?
C161 H16A 0.9800 . ?
C161 H16B 0.9800 . ?
C161 H16C 0.9800 . ?
C162 N3 1.160(15) . ?
C162 C163 1.437(17) . ?
C163 H16D 0.9800 . ?
C163 H16E 0.9800 . ?
C163 H16F 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C18 C1 C2 119.5(6) . . ?
C18 C1 S1 122.1(6) . . ?
C2 C1 S1 118.3(6) . . ?
C3 C2 C1 120.0(7) . . ?
C3 C2 S2 121.5(6) . . ?
C1 C2 S2 118.5(5) . . ?
C2 C3 C4 121.5(7) . . ?
C2 C3 H3 119.3 . . ?
C4 C3 H3 119.3 . . ?
C3 C4 C17 118.6(6) . . ?
C3 C4 C5 120.9(6) . . ?
C17 C4 C5 120.4(6) . . ?
C6 C5 C10 117.9(6) . . ?
C6 C5 C4 122.1(7) . . ?
C10 C5 C4 119.9(6) . . ?
C7 C6 C5 121.6(7) . . ?
C7 C6 H6 119.2 . . ?
C5 C6 H6 119.2 . . ?
C6 C7 C8 120.1(7) . . ?
C6 C7 S3 122.5(6) . . ?
C8 C7 S3 117.5(5) . . ?
C9 C8 C7 119.9(6) . . ?
C9 C8 S4 120.7(6) . . ?
C7 C8 S4 119.4(5) . . ?
C10 C9 C8 120.6(7) . . ?
C10 C9 H9 119.7 . . ?
C8 C9 H9 119.7 . . ?
C9 C10 C5 119.9(7) . . ?
C9 C10 C11 120.7(7) . . ?
C5 C10 C11 119.4(6) . . ?
C12 C11 C16 119.0(6) . . ?
C12 C11 C10 120.5(6) . . ?
C16 C11 C10 120.4(7) . . ?
C11 C12 C13 121.4(7) . . ?
C11 C12 H12 119.3 . . ?
C13 C12 H12 119.3 . . ?
C14 C13 C12 119.1(7) . . ?
C14 C13 S5 119.2(6) . . ?
C12 C13 S5 121.6(6) . . ?
C13 C14 C15 120.5(7) . . ?
C13 C14 S6 117.6(6) . . ?
C15 C14 S6 121.9(6) . . ?
C14 C15 C16 120.0(7) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C15 C16 C11 119.8(7) . . ?
C15 C16 C17 120.4(6) . . ?
C11 C16 C17 119.8(7) . . ?
C18 C17 C4 118.9(7) . . ?
C18 C17 C16 121.2(7) . . ?
C4 C17 C16 119.9(6) . . ?
C1 C18 C17 121.2(7) . . ?
C1 C18 H18 119.4 . . ?
C17 C18 H18 119.4 . . ?
C20 C19 C24 118.7(10) . . ?
C20 C19 P1 121.8(8) . . ?
C24 C19 P1 119.4(9) . . ?
C19 C20 C21 121.3(12) . . ?
C19 C20 H20 119.3 . . ?
C21 C20 H20 119.3 . . ?
C22 C21 C20 121.8(14) . . ?
C22 C21 H21 119.1 . . ?
C20 C21 H21 119.1 . . ?
C21 C22 C23 119.1(12) . . ?
C21 C22 H22 120.4 . . ?
C23 C22 H22 120.4 . . ?
C24 C23 C22 117.5(14) . . ?
C24 C23 H23 121.2 . . ?
C22 C23 H23 121.2 . . ?
C23 C24 C19 121.5(14) . . ?
C23 C24 H24 119.3 . . ?
C19 C24 H24 119.3 . . ?
C30 C25 C26 116.1(9) . . ?
C30 C25 P1 125.3(7) . . ?
C26 C25 P1 118.5(8) . . ?
C27 C26 C25 122.6(11) . . ?
C27 C26 H26 118.7 . . ?
C25 C26 H26 118.7 . . ?
C26 C27 C28 121.1(11) . . ?
C26 C27 H27 119.4 . . ?
C28 C27 H27 119.4 . . ?
C29 C28 C27 116.9(11) . . ?
C29 C28 H28 121.5 . . ?
C27 C28 H28 121.5 . . ?
C28 C29 C30 122.2(11) . . ?
C28 C29 H29 118.9 . . ?
C30 C29 H29 118.9 . . ?
C25 C30 C29 121.0(9) . . ?
C25 C30 H30 119.5 . . ?
C29 C30 H30 119.5 . . ?
C32 C31 P1 116.6(5) . . ?
C32 C31 H31A 108.2 . . ?
P1 C31 H31A 108.2 . . ?
C32 C31 H31B 108.2 . . ?
P1 C31 H31B 108.2 . . ?
H31A C31 H31B 107.3 . . ?
C35 C32 C34 106.3(7) . . ?
C35 C32 C33 107.5(6) . . ?
C34 C32 C33 114.4(6) . . ?
C35 C32 C31 107.4(6) . . ?
C34 C32 C31 111.2(6) . . ?
C33 C32 C31 109.7(6) . . ?
C32 C33 P2 116.5(5) . . ?
C32 C33 H33A 108.2 . . ?
P2 C33 H33A 108.2 . . ?
C32 C33 H33B 108.2 . . ?
P2 C33 H33B 108.2 . . ?
H33A C33 H33B 107.3 . . ?
C32 C34 P3 119.1(6) . . ?
C32 C34 H34A 107.6 . . ?
P3 C34 H34A 107.6 . . ?
C32 C34 H34B 107.6 . . ?
P3 C34 H34B 107.6 . . ?
H34A C34 H34B 107.0 . . ?
C32 C35 H35A 109.5 . . ?
C32 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C32 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C41 C36 C37 119.2(7) . . ?
C41 C36 P2 118.7(6) . . ?
C37 C36 P2 122.0(6) . . ?
C38 C37 C36 119.6(8) . . ?
C38 C37 H37 120.2 . . ?
C36 C37 H37 120.2 . . ?
C39 C38 C37 120.0(8) . . ?
C39 C38 H38 120.0 . . ?
C37 C38 H38 120.0 . . ?
C38 C39 C40 120.4(8) . . ?
C38 C39 H39 119.8 . . ?
C40 C39 H39 119.8 . . ?
C39 C40 C41 119.8(8) . . ?
C39 C40 H40 120.1 . . ?
C41 C40 H40 120.1 . . ?
C36 C41 C40 120.8(8) . . ?
C36 C41 H41 119.6 . . ?
C40 C41 H41 119.6 . . ?
C43 C42 C47 118.8(8) . . ?
C43 C42 P2 121.2(6) . . ?
C47 C42 P2 119.9(6) . . ?
C44 C43 C42 119.5(8) . . ?
C44 C43 H43 120.3 . . ?
C42 C43 H43 120.3 . . ?
C45 C44 C43 121.7(9) . . ?
C45 C44 H44 119.1 . . ?
C43 C44 H44 119.1 . . ?
C44 C45 C46 119.6(9) . . ?
C44 C45 H45 120.2 . . ?
C46 C45 H45 120.2 . . ?
C47 C46 C45 119.3(9) . . ?
C47 C46 H46 120.4 . . ?
C45 C46 H46 120.4 . . ?
C46 C47 C42 121.0(8) . . ?
C46 C47 H47 119.5 . . ?
C42 C47 H47 119.5 . . ?
C53 C48 C49 118.1(8) . . ?
C53 C48 P3 125.2(7) . . ?
C49 C48 P3 116.5(6) . . ?
C50 C49 C48 121.4(9) . . ?
C50 C49 H49 119.3 . . ?
C48 C49 H49 119.3 . . ?
C49 C50 C51 120.4(10) . . ?
C49 C50 H50 119.8 . . ?
C51 C50 H50 119.8 . . ?
C50 C51 C52 118.6(9) . . ?
C50 C51 H51 120.7 . . ?
C52 C51 H51 120.7 . . ?
C53 C52 C51 121.8(9) . . ?
C53 C52 H52 119.1 . . ?
C51 C52 H52 119.1 . . ?
C52 C53 C48 119.7(9) . . ?
C52 C53 H53 120.2 . . ?
C48 C53 H53 120.2 . . ?
C55 C54 C59 118.1(8) . . ?
C55 C54 P3 116.6(7) . . ?
C59 C54 P3 125.3(7) . . ?
C56 C55 C54 121.4(9) . . ?
C56 C55 H55 119.3 . . ?
C54 C55 H55 119.3 . . ?
C55 C56 C57 119.7(9) . . ?
C55 C56 H56 120.1 . . ?
C57 C56 H56 120.1 . . ?
C58 C57 C56 119.8(10) . . ?
C58 C57 H57 120.1 . . ?
C56 C57 H57 120.1 . . ?
C57 C58 C59 120.7(10) . . ?
C57 C58 H58 119.7 . . ?
C59 C58 H58 119.7 . . ?
C58 C59 C54 120.3(9) . . ?
C58 C59 H59 119.8 . . ?
C54 C59 H59 119.8 . . ?
C61 C60 C65 118.1(7) . . ?
C61 C60 P4 119.6(6) . . ?
C65 C60 P4 122.2(6) . . ?
C60 C61 C62 121.1(8) . . ?
C60 C61 H61 119.5 . . ?
C62 C61 H61 119.5 . . ?
C63 C62 C61 120.3(8) . . ?
C63 C62 H62 119.9 . . ?
C61 C62 H62 119.9 . . ?
C62 C63 C64 119.7(8) . . ?
C62 C63 H63 120.1 . . ?
C64 C63 H63 120.1 . . ?
C63 C64 C65 120.4(8) . . ?
C63 C64 H64 119.8 . . ?
C65 C64 H64 119.8 . . ?
C64 C65 C60 120.5(8) . . ?
C64 C65 H65 119.7 . . ?
C60 C65 H65 119.7 . . ?
C71 C66 C67 119.9(8) . . ?
C71 C66 P4 119.9(6) . . ?
C67 C66 P4 120.0(6) . . ?
C68 C67 C66 119.0(9) . . ?
C68 C67 H67 120.5 . . ?
C66 C67 H67 120.5 . . ?
C69 C68 C67 121.0(9) . . ?
C69 C68 H68 119.5 . . ?
C67 C68 H68 119.5 . . ?
C68 C69 C70 120.1(10) . . ?
C68 C69 H69 119.9 . . ?
C70 C69 H69 119.9 . . ?
C69 C70 C71 118.5(10) . . ?
C69 C70 H70 120.7 . . ?
C71 C70 H70 120.7 . . ?
C66 C71 C70 121.3(9) . . ?
C66 C71 H71 119.3 . . ?
C70 C71 H71 119.3 . . ?
C73 C72 P4 115.2(5) . . ?
C73 C72 H72A 108.5 . . ?
P4 C72 H72A 108.5 . . ?
C73 C72 H72B 108.5 . . ?
P4 C72 H72B 108.5 . . ?
H72A C72 H72B 107.5 . . ?
C74 C73 C76 107.5(6) . . ?
C74 C73 C72 111.5(7) . . ?
C76 C73 C72 106.8(7) . . ?
C74 C73 C75 113.3(7) . . ?
C76 C73 C75 106.2(6) . . ?
C72 C73 C75 111.2(6) . . ?
C73 C74 P5 117.3(5) . . ?
C73 C74 H74A 108.0 . . ?
P5 C74 H74A 108.0 . . ?
C73 C74 H74B 108.0 . . ?
P5 C74 H74B 108.0 . . ?
H74A C74 H74B 107.2 . . ?
C73 C75 P6 117.8(5) . . ?
C73 C75 H75A 107.9 . . ?
P6 C75 H75A 107.9 . . ?
C73 C75 H75B 107.9 . . ?
P6 C75 H75B 107.9 . . ?
H75A C75 H75B 107.2 . . ?
C73 C76 H76A 109.5 . . ?
C73 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
C73 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
C82 C77 C78 118.0(8) . . ?
C82 C77 P5 124.3(6) . . ?
C78 C77 P5 117.3(7) . . ?
C79 C78 C77 123.1(10) . . ?
C79 C78 H78 118.5 . . ?
C77 C78 H78 118.5 . . ?
C78 C79 C80 117.9(9) . . ?
C78 C79 H79 121.1 . . ?
C80 C79 H79 121.1 . . ?
C79 C80 C81 120.7(9) . . ?
C79 C80 H80 119.7 . . ?
C81 C80 H80 119.7 . . ?
C82 C81 C80 120.0(10) . . ?
C82 C81 H81 120.0 . . ?
C80 C81 H81 120.0 . . ?
C81 C82 C77 120.3(8) . . ?
C81 C82 H82 119.9 . . ?
C77 C82 H82 119.9 . . ?
C84 C83 C88 118.9(9) . . ?
C84 C83 P5 124.6(7) . . ?
C88 C83 P5 116.6(7) . . ?
C83 C84 C85 119.9(10) . . ?
C83 C84 H84 120.1 . . ?
C85 C84 H84 120.1 . . ?
C86 C85 C84 120.9(11) . . ?
C86 C85 H85 119.6 . . ?
C84 C85 H85 119.6 . . ?
C85 C86 C87 118.5(11) . . ?
C85 C86 H86 120.7 . . ?
C87 C86 H86 120.7 . . ?
C88 C87 C86 120.5(11) . . ?
C88 C87 H87 119.8 . . ?
C86 C87 H87 119.8 . . ?
C87 C88 C83 121.3(10) . . ?
C87 C88 H88 119.3 . . ?
C83 C88 H88 119.3 . . ?
C94 C89 C90 118.6(8) . . ?
C94 C89 P6 118.0(7) . . ?
C90 C89 P6 123.4(7) . . ?
C91 C90 C89 119.3(9) . . ?
C91 C90 H90 120.3 . . ?
C89 C90 H90 120.3 . . ?
C90 C91 C92 121.0(11) . . ?
C90 C91 H91 119.5 . . ?
C92 C91 H91 119.5 . . ?
C93 C92 C91 118.2(10) . . ?
C93 C92 H92 120.9 . . ?
C91 C92 H92 120.9 . . ?
C94 C93 C92 122.1(10) . . ?
C94 C93 H93 118.9 . . ?
C92 C93 H93 118.9 . . ?
C93 C94 C89 120.7(9) . . ?
C93 C94 H94 119.7 . . ?
C89 C94 H94 119.7 . . ?
C100 C95 C96 120.0(8) . . ?
C100 C95 P6 121.5(6) . . ?
C96 C95 P6 118.3(6) . . ?
C95 C96 C97 119.3(9) . . ?
C95 C96 H96 120.3 . . ?
C97 C96 H96 120.3 . . ?
C98 C97 C96 120.5(9) . . ?
C98 C97 H97 119.7 . . ?
C96 C97 H97 119.7 . . ?
C99 C98 C97 120.0(8) . . ?
C99 C98 H98 120.0 . . ?
C97 C98 H98 120.0 . . ?
C98 C99 C100 121.1(8) . . ?
C98 C99 H99 119.5 . . ?
C100 C99 H99 119.5 . . ?
C95 C100 C99 119.0(8) . . ?
C95 C100 H100 120.5 . . ?
C99 C100 H100 120.5 . . ?
C106 C101 C102 118.9(7) . . ?
C106 C101 P7 118.6(6) . . ?
C102 C101 P7 122.1(6) . . ?
C101 C102 C103 120.0(8) . . ?
C101 C102 H102 120.0 . . ?
C103 C102 H102 120.0 . . ?
C104 C103 C102 119.6(8) . . ?
C104 C103 H103 120.2 . . ?
C102 C103 H103 120.2 . . ?
C105 C104 C103 119.6(8) . . ?
C105 C104 H104 120.2 . . ?
C103 C104 H104 120.2 . . ?
C106 C105 C104 121.2(9) . . ?
C106 C105 H105 119.4 . . ?
C104 C105 H105 119.4 . . ?
C105 C106 C101 120.6(9) . . ?
C105 C106 H106 119.7 . . ?
C101 C106 H106 119.7 . . ?
C108 C107 C112 119.2(8) . . ?
C108 C107 P7 118.0(6) . . ?
C112 C107 P7 122.8(7) . . ?
C109 C108 C107 122.4(9) . . ?
C109 C108 H108 118.8 . . ?
C107 C108 H108 118.8 . . ?
C108 C109 C110 119.2(9) . . ?
C108 C109 H109 120.4 . . ?
C110 C109 H109 120.4 . . ?
C109 C110 C111 120.1(9) . . ?
C109 C110 H110 119.9 . . ?
C111 C110 H110 119.9 . . ?
C110 C111 C112 119.9(9) . . ?
C110 C111 H111 120.0 . . ?
C112 C111 H111 120.0 . . ?
C107 C112 C111 119.1(9) . . ?
C107 C112 H112 120.5 . . ?
C111 C112 H112 120.5 . . ?
C114 C113 P7 116.4(5) . . ?
C114 C113 H11A 108.2 . . ?
P7 C113 H11A 108.2 . . ?
C114 C113 H11B 108.2 . . ?
P7 C113 H11B 108.2 . . ?
H11A C113 H11B 107.3 . . ?
C117 C114 C116 106.6(7) . . ?
C117 C114 C113 107.8(6) . . ?
C116 C114 C113 111.0(6) . . ?
C117 C114 C115 107.4(6) . . ?
C116 C114 C115 112.9(6) . . ?
C113 C114 C115 111.0(7) . . ?
C114 C115 P8 116.4(5) . . ?
C114 C115 H11C 108.2 . . ?
P8 C115 H11C 108.2 . . ?
C114 C115 H11D 108.2 . . ?
P8 C115 H11D 108.2 . . ?
H11C C115 H11D 107.3 . . ?
C114 C116 P9 118.9(6) . . ?
C114 C116 H11E 107.6 . . ?
P9 C116 H11E 107.6 . . ?
C114 C116 H11F 107.6 . . ?
P9 C116 H11F 107.6 . . ?
H11E C116 H11F 107.0 . . ?
C114 C117 H11G 109.5 . . ?
C114 C117 H11H 109.5 . . ?
H11G C117 H11H 109.5 . . ?
C114 C117 H11I 109.5 . . ?
H11G C117 H11I 109.5 . . ?
H11H C117 H11I 109.5 . . ?
C119 C118 C123 118.1(8) . . ?
C119 C118 P8 122.5(6) . . ?
C123 C118 P8 119.2(6) . . ?
C118 C119 C120 121.1(9) . . ?
C118 C119 H119 119.5 . . ?
C120 C119 H119 119.5 . . ?
C121 C120 C119 119.8(10) . . ?
C121 C120 H120 120.1 . . ?
C119 C120 H120 120.1 . . ?
C120 C121 C122 120.8(10) . . ?
C120 C121 H121 119.6 . . ?
C122 C121 H121 119.6 . . ?
C121 C122 C123 120.1(10) . . ?
C121 C122 H122 119.9 . . ?
C123 C122 H122 119.9 . . ?
C122 C123 C118 120.1(9) . . ?
C122 C123 H123 119.9 . . ?
C118 C123 H123 119.9 . . ?
C129 C124 C125 118.8(7) . . ?
C129 C124 P8 118.3(6) . . ?
C125 C124 P8 122.9(6) . . ?
C126 C125 C124 120.0(9) . . ?
C126 C125 H125 120.0 . . ?
C124 C125 H125 120.0 . . ?
C127 C126 C125 120.6(10) . . ?
C127 C126 H126 119.7 . . ?
C125 C126 H126 119.7 . . ?
C126 C127 C128 119.9(9) . . ?
C126 C127 H127 120.0 . . ?
C128 C127 H127 120.0 . . ?
C129 C128 C127 120.4(10) . . ?
C129 C128 H128 119.8 . . ?
C127 C128 H128 119.8 . . ?
C128 C129 C124 120.3(9) . . ?
C128 C129 H129 119.9 . . ?
C124 C129 H129 119.9 . . ?
C131 C130 C135 120.1(8) . . ?
C131 C130 P9 124.5(7) . . ?
C135 C130 P9 115.2(7) . . ?
C132 C131 C130 119.7(9) . . ?
C132 C131 H131 120.2 . . ?
C130 C131 H131 120.2 . . ?
C133 C132 C131 120.0(10) . . ?
C133 C132 H132 120.0 . . ?
C131 C132 H132 120.0 . . ?
C132 C133 C134 121.3(9) . . ?
C132 C133 H133 119.3 . . ?
C134 C133 H133 119.3 . . ?
C133 C134 C135 119.1(10) . . ?
C133 C134 H134 120.4 . . ?
C135 C134 H134 120.4 . . ?
C130 C135 C134 119.8(9) . . ?
C130 C135 H135 120.1 . . ?
C134 C135 H135 120.1 . . ?
C137 C136 C141 119.5(7) . . ?
C137 C136 P9 123.6(6) . . ?
C141 C136 P9 117.0(6) . . ?
C136 C137 C138 120.7(9) . . ?
C136 C137 H137 119.7 . . ?
C138 C137 H137 119.7 . . ?
C139 C138 C137 119.1(9) . . ?
C139 C138 H138 120.5 . . ?
C137 C138 H138 120.5 . . ?
C138 C139 C140 120.9(9) . . ?
C138 C139 H139 119.6 . . ?
C140 C139 H139 119.6 . . ?
C139 C140 C141 119.4(9) . . ?
C139 C140 H140 120.3 . . ?
C141 C140 H140 120.3 . . ?
C136 C141 C140 120.5(9) . . ?
C136 C141 H141 119.7 . . ?
C140 C141 H141 119.7 . . ?
S2 Co1 S1 90.14(8) . . ?
S2 Co1 P3 104.40(9) . . ?
S1 Co1 P3 105.38(10) . . ?
S2 Co1 P2 89.26(8) . . ?
S1 Co1 P2 162.92(10) . . ?
P3 Co1 P2 91.30(9) . . ?
S2 Co1 P1 159.25(10) . . ?
S1 Co1 P1 86.19(8) . . ?
P3 Co1 P1 96.26(9) . . ?
P2 Co1 P1 88.34(8) . . ?
S4 Co2 S3 89.85(8) . . ?
S4 Co2 P6 111.19(10) . . ?
S3 Co2 P6 109.04(9) . . ?
S4 Co2 P5 84.87(8) . . ?
S3 Co2 P5 158.75(10) . . ?
P6 Co2 P5 92.04(8) . . ?
S4 Co2 P4 156.31(10) . . ?
S3 Co2 P4 86.64(8) . . ?
P6 Co2 P4 92.05(8) . . ?
P5 Co2 P4 89.98(8) . . ?
S5 Co3 S6 89.38(8) . . ?
S5 Co3 P9 108.35(9) . . ?
S6 Co3 P9 103.80(9) . . ?
S5 Co3 P7 85.89(8) . . ?
S6 Co3 P7 161.80(10) . . ?
P9 Co3 P7 94.36(8) . . ?
S5 Co3 P8 161.02(10) . . ?
S6 Co3 P8 90.03(8) . . ?
P9 Co3 P8 90.20(8) . . ?
P7 Co3 P8 88.80(8) . . ?
C25 P1 C31 107.8(4) . . ?
C25 P1 C19 102.6(4) . . ?
C31 P1 C19 102.6(4) . . ?
C25 P1 Co1 109.2(3) . . ?
C31 P1 Co1 111.2(3) . . ?
C19 P1 Co1 122.3(3) . . ?
C42 P2 C36 101.1(4) . . ?
C42 P2 C33 106.6(4) . . ?
C36 P2 C33 104.4(4) . . ?
C42 P2 Co1 114.8(3) . . ?
C36 P2 Co1 117.5(3) . . ?
C33 P2 Co1 111.2(3) . . ?
C54 P3 C48 99.3(4) . . ?
C54 P3 C34 107.9(4) . . ?
C48 P3 C34 100.1(4) . . ?
C54 P3 Co1 112.9(3) . . ?
C48 P3 Co1 123.9(3) . . ?
C34 P3 Co1 111.0(3) . . ?
C66 P4 C60 99.3(4) . . ?
C66 P4 C72 104.5(4) . . ?
C60 P4 C72 104.0(3) . . ?
C66 P4 Co2 113.2(3) . . ?
C60 P4 Co2 121.9(3) . . ?
C72 P4 Co2 112.0(3) . . ?
C74 P5 C83 108.7(4) . . ?
C74 P5 C77 100.5(4) . . ?
C83 P5 C77 100.5(4) . . ?
C74 P5 Co2 111.7(3) . . ?
C83 P5 Co2 108.8(3) . . ?
C77 P5 Co2 125.3(3) . . ?
C89 P6 C75 107.3(4) . . ?
C89 P6 C95 99.9(4) . . ?
C75 P6 C95 103.1(4) . . ?
C89 P6 Co2 114.3(3) . . ?
C75 P6 Co2 110.9(3) . . ?
C95 P6 Co2 119.9(3) . . ?
C113 P7 C107 109.4(4) . . ?
C113 P7 C101 100.6(3) . . ?
C107 P7 C101 102.0(3) . . ?
C113 P7 Co3 112.2(3) . . ?
C107 P7 Co3 107.2(2) . . ?
C101 P7 Co3 124.5(2) . . ?
C118 P8 C124 99.9(4) . . ?
C118 P8 C115 104.8(4) . . ?
C124 P8 C115 104.1(4) . . ?
C118 P8 Co3 115.3(3) . . ?
C124 P8 Co3 119.1(3) . . ?
C115 P8 Co3 112.0(2) . . ?
C136 P9 C130 101.3(4) . . ?
C136 P9 C116 107.8(4) . . ?
C130 P9 C116 99.4(4) . . ?
C136 P9 Co3 112.2(3) . . ?
C130 P9 Co3 122.9(3) . . ?
C116 P9 Co3 111.7(3) . . ?
C1 S1 Co1 105.8(3) . . ?
C2 S2 Co1 106.4(3) . . ?
C7 S3 Co2 106.6(3) . . ?
C8 S4 Co2 106.6(3) . . ?
C13 S5 Co3 105.8(3) . . ?
C14 S6 Co3 105.8(3) . . ?
F1 B1 F2 108.7(10) . . ?
F1 B1 F3 111.5(10) . . ?
F2 B1 F3 109.1(9) . . ?
F1 B1 F4 110.2(9) . . ?
F2 B1 F4 108.1(10) . . ?
F3 B1 F4 109.2(9) . . ?
F6 B2 F5 110.8(14) . . ?
F6 B2 F8 110.7(16) . . ?
F5 B2 F8 109.3(14) . . ?
F6 B2 F7 108.7(15) . . ?
F5 B2 F7 108.9(16) . . ?
F8 B2 F7 108.4(15) . . ?
F6' B2' F5' 110.0(18) . . ?
F6' B2' F8' 112(2) . . ?
F5' B2' F8' 109.0(19) . . ?
F6' B2' F7' 109.0(19) . . ?
F5' B2' F7' 109(2) . . ?
F8' B2' F7' 108.4(19) . . ?
F11 B3 F10 110.9(8) . . ?
F11 B3 F12 110.3(8) . . ?
F10 B3 F12 109.4(8) . . ?
F11 B3 F9 108.1(8) . . ?
F10 B3 F9 108.5(7) . . ?
F12 B3 F9 109.6(8) . . ?
C143 C142 H14A 109.5 . . ?
C143 C142 H14B 109.5 . . ?
H14A C142 H14B 109.5 . . ?
C143 C142 H14C 109.5 . . ?
H14A C142 H14C 109.5 . . ?
H14B C142 H14C 109.5 . . ?
O1 C143 C142 108.5(8) . . ?
O1 C143 H14D 110.0 . . ?
C142 C143 H14D 110.0 . . ?
O1 C143 H14E 110.0 . . ?
C142 C143 H14E 110.0 . . ?
H14D C143 H14E 108.4 . . ?
O1 C144 C145 108.0(9) . . ?
O1 C144 H14F 110.1 . . ?
C145 C144 H14F 110.1 . . ?
O1 C144 H14G 110.1 . . ?
C145 C144 H14G 110.1 . . ?
H14F C144 H14G 108.4 . . ?
C144 C145 H14H 109.5 . . ?
C144 C145 H14I 109.5 . . ?
H14H C145 H14I 109.5 . . ?
C144 C145 H14J 109.5 . . ?
H14H C145 H14J 109.5 . . ?
H14I C145 H14J 109.5 . . ?
C143 O1 C144 113.8(7) . . ?
C147 C146 H14K 109.5 . . ?
C147 C146 H14L 109.5 . . ?
H14K C146 H14L 109.5 . . ?
C147 C146 H14M 109.5 . . ?
H14K C146 H14M 109.5 . . ?
H14L C146 H14M 109.5 . . ?
O2 C147 C146 110.1 . . ?
O2 C147 H14N 109.6 . . ?
C146 C147 H14N 109.6 . . ?
O2 C147 H14O 109.6 . . ?
C146 C147 H14O 109.6 . . ?
H14N C147 H14O 108.2 . . ?
C149 C148 O2 113.6 . . ?
C149 C148 H14P 108.8 . . ?
O2 C148 H14P 108.8 . . ?
C149 C148 H14Q 108.8 . . ?
O2 C148 H14Q 108.8 . . ?
H14P C148 H14Q 107.7 . . ?
C148 C149 H14R 109.5 . . ?
C148 C149 H14S 109.5 . . ?
H14R C149 H14S 109.5 . . ?
C148 C149 H14T 109.5 . . ?
H14R C149 H14T 109.5 . . ?
H14S C149 H14T 109.5 . . ?
C148 O2 C147 118.1 . . ?
C151 C150 H15A 109.5 . . ?
C151 C150 H15B 109.5 . . ?
H15A C150 H15B 109.5 . . ?
C151 C150 H15C 109.5 . . ?
H15A C150 H15C 109.5 . . ?
H15B C150 H15C 109.5 . . ?
O3 C151 C150 111.2 . . ?
O3 C151 H15D 109.4 . . ?
C150 C151 H15D 109.4 . . ?
O3 C151 H15E 109.4 . . ?
C150 C151 H15E 109.4 . . ?
H15D C151 H15E 108.0 . . ?
C153 C152 O3 111.0 . . ?
C153 C152 H15F 109.4 . . ?
O3 C152 H15F 109.4 . . ?
C153 C152 H15G 109.4 . . ?
O3 C152 H15G 109.4 . . ?
H15F C152 H15G 108.0 . . ?
C152 C153 H15H 109.5 . . ?
C152 C153 H15I 109.5 . . ?
H15H C153 H15I 109.5 . . ?
C152 C153 H15J 109.5 . . ?
H15H C153 H15J 109.5 . . ?
H15I C153 H15J 109.5 . . ?
C152 O3 C151 116.3 . . ?
C155 C154 H15K 109.5 . . ?
C155 C154 H15L 109.5 . . ?
H15K C154 H15L 109.5 . . ?
C155 C154 H15M 109.5 . . ?
H15K C154 H15M 109.5 . . ?
H15L C154 H15M 109.5 . . ?
O4 C155 C154 109.0 . . ?
O4 C155 H15N 109.9 . . ?
C154 C155 H15N 109.9 . . ?
O4 C155 H15O 109.9 . . ?
C154 C155 H15O 109.9 . . ?
H15N C155 H15O 108.3 . . ?
O4 C156 C157 106.3 . . ?
O4 C156 H15P 110.5 . . ?
C157 C156 H15P 110.5 . . ?
O4 C156 H15Q 110.5 . . ?
C157 C156 H15Q 110.5 . . ?
H15P C156 H15Q 108.6 . . ?
C156 C157 H15R 109.5 . . ?
C156 C157 H15S 109.5 . . ?
H15R C157 H15S 109.5 . . ?
C156 C157 H15T 109.5 . . ?
H15R C157 H15T 109.5 . . ?
H15S C157 H15T 109.5 . . ?
C155 O4 C156 111.0 . . ?
N1 C158 C159 177.8(13) . . ?
C158 C159 H15U 109.5 . . ?
C158 C159 H15V 109.5 . . ?
H15U C159 H15V 109.5 . . ?
C158 C159 H15W 109.5 . . ?
H15U C159 H15W 109.5 . . ?
H15V C159 H15W 109.5 . . ?
N2 C160 C161 177.7(18) . . ?
C160 C161 H16A 109.5 . . ?
C160 C161 H16B 109.5 . . ?
H16A C161 H16B 109.5 . . ?
C160 C161 H16C 109.5 . . ?
H16A C161 H16C 109.5 . . ?
H16B C161 H16C 109.5 . . ?
N3 C162 C163 177.7(14) . . ?
C162 C163 H16D 109.5 . . ?
C162 C163 H16E 109.5 . . ?
H16D C163 H16E 109.5 . . ?
C162 C163 H16F 109.5 . . ?
H16D C163 H16F 109.5 . . ?
H16E C163 H16F 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
C18 C1 C2 C3 4.7(12) . . . . ?
S1 C1 C2 C3 -176.3(6) . . . . ?
C18 C1 C2 S2 -175.0(6) . . . . ?
S1 C1 C2 S2 4.0(9) . . . . ?
C1 C2 C3 C4 -1.0(12) . . . . ?
S2 C2 C3 C4 178.7(6) . . . . ?
C2 C3 C4 C17 -3.3(12) . . . . ?
C2 C3 C4 C5 178.0(7) . . . . ?
C3 C4 C5 C6 -2.0(12) . . . . ?
C17 C4 C5 C6 179.3(7) . . . . ?
C3 C4 C5 C10 175.6(7) . . . . ?
C17 C4 C5 C10 -3.0(11) . . . . ?
C10 C5 C6 C7 0.7(12) . . . . ?
C4 C5 C6 C7 178.4(7) . . . . ?
C5 C6 C7 C8 -1.2(12) . . . . ?
C5 C6 C7 S3 178.8(6) . . . . ?
C6 C7 C8 C9 0.1(12) . . . . ?
S3 C7 C8 C9 -179.9(6) . . . . ?
C6 C7 C8 S4 -177.8(6) . . . . ?
S3 C7 C8 S4 2.2(9) . . . . ?
C7 C8 C9 C10 1.4(12) . . . . ?
S4 C8 C9 C10 179.4(6) . . . . ?
C8 C9 C10 C5 -1.9(12) . . . . ?
C8 C9 C10 C11 177.2(7) . . . . ?
C6 C5 C10 C9 0.9(11) . . . . ?
C4 C5 C10 C9 -176.9(7) . . . . ?
C6 C5 C10 C11 -178.2(7) . . . . ?
C4 C5 C10 C11 4.0(11) . . . . ?
C9 C10 C11 C12 -5.6(12) . . . . ?
C5 C10 C11 C12 173.5(7) . . . . ?
C9 C10 C11 C16 178.3(8) . . . . ?
C5 C10 C11 C16 -2.6(12) . . . . ?
C16 C11 C12 C13 1.1(12) . . . . ?
C10 C11 C12 C13 -175.1(7) . . . . ?
C11 C12 C13 C14 -1.8(12) . . . . ?
C11 C12 C13 S5 174.8(6) . . . . ?
C12 C13 C14 C15 -0.3(12) . . . . ?
S5 C13 C14 C15 -177.0(6) . . . . ?
C12 C13 C14 S6 178.2(6) . . . . ?
S5 C13 C14 S6 1.5(9) . . . . ?
C13 C14 C15 C16 3.1(12) . . . . ?
S6 C14 C15 C16 -175.3(6) . . . . ?
C14 C15 C16 C11 -3.9(12) . . . . ?
C14 C15 C16 C17 173.9(7) . . . . ?
C12 C11 C16 C15 1.8(12) . . . . ?
C10 C11 C16 C15 177.9(7) . . . . ?
C12 C11 C16 C17 -176.0(7) . . . . ?
C10 C11 C16 C17 0.1(12) . . . . ?
C3 C4 C17 C18 3.8(11) . . . . ?
C5 C4 C17 C18 -177.5(7) . . . . ?
C3 C4 C17 C16 -178.2(7) . . . . ?
C5 C4 C17 C16 0.5(11) . . . . ?
C15 C16 C17 C18 1.1(12) . . . . ?
C11 C16 C17 C18 178.9(8) . . . . ?
C15 C16 C17 C4 -176.9(7) . . . . ?
C11 C16 C17 C4 0.9(12) . . . . ?
C2 C1 C18 C17 -4.1(12) . . . . ?
S1 C1 C18 C17 176.9(6) . . . . ?
C4 C17 C18 C1 -0.1(12) . . . . ?
C16 C17 C18 C1 -178.1(8) . . . . ?
C24 C19 C20 C21 -2.3(17) . . . . ?
P1 C19 C20 C21 173.4(9) . . . . ?
C19 C20 C21 C22 3(2) . . . . ?
C20 C21 C22 C23 -3(2) . . . . ?
C21 C22 C23 C24 3(2) . . . . ?
C22 C23 C24 C19 -3(2) . . . . ?
C20 C19 C24 C23 2.8(18) . . . . ?
P1 C19 C24 C23 -173.0(10) . . . . ?
C30 C25 C26 C27 0.1(16) . . . . ?
P1 C25 C26 C27 177.3(10) . . . . ?
C25 C26 C27 C28 0(2) . . . . ?
C26 C27 C28 C29 1.0(19) . . . . ?
C27 C28 C29 C30 -1.9(17) . . . . ?
C26 C25 C30 C29 -1.0(13) . . . . ?
P1 C25 C30 C29 -177.9(7) . . . . ?
C28 C29 C30 C25 2.0(16) . . . . ?
P1 C31 C32 C35 167.0(6) . . . . ?
P1 C31 C32 C34 -77.1(8) . . . . ?
P1 C31 C32 C33 50.5(8) . . . . ?
C35 C32 C33 P2 166.9(6) . . . . ?
C34 C32 C33 P2 49.1(8) . . . . ?
C31 C32 C33 P2 -76.7(7) . . . . ?
C35 C32 C34 P3 173.4(6) . . . . ?
C33 C32 C34 P3 -68.2(8) . . . . ?
C31 C32 C34 P3 56.8(8) . . . . ?
C41 C36 C37 C38 -2.4(13) . . . . ?
P2 C36 C37 C38 176.8(7) . . . . ?
C36 C37 C38 C39 0.9(14) . . . . ?
C37 C38 C39 C40 -0.5(15) . . . . ?
C38 C39 C40 C41 1.4(14) . . . . ?
C37 C36 C41 C40 3.4(12) . . . . ?
P2 C36 C41 C40 -175.9(7) . . . . ?
C39 C40 C41 C36 -2.9(13) . . . . ?
C47 C42 C43 C44 1.3(13) . . . . ?
P2 C42 C43 C44 177.1(7) . . . . ?
C42 C43 C44 C45 -2.8(14) . . . . ?
C43 C44 C45 C46 1.2(15) . . . . ?
C44 C45 C46 C47 1.9(15) . . . . ?
C45 C46 C47 C42 -3.4(15) . . . . ?
C43 C42 C47 C46 1.8(14) . . . . ?
P2 C42 C47 C46 -174.1(8) . . . . ?
C53 C48 C49 C50 1.2(14) . . . . ?
P3 C48 C49 C50 -175.1(8) . . . . ?
C48 C49 C50 C51 0.3(15) . . . . ?
C49 C50 C51 C52 -0.8(15) . . . . ?
C50 C51 C52 C53 -0.2(15) . . . . ?
C51 C52 C53 C48 1.7(14) . . . . ?
C49 C48 C53 C52 -2.1(13) . . . . ?
P3 C48 C53 C52 173.9(7) . . . . ?
C59 C54 C55 C56 1.5(15) . . . . ?
P3 C54 C55 C56 -178.6(8) . . . . ?
C54 C55 C56 C57 1.1(17) . . . . ?
C55 C56 C57 C58 -2.1(19) . . . . ?
C56 C57 C58 C59 0.4(19) . . . . ?
C57 C58 C59 C54 2.3(17) . . . . ?
C55 C54 C59 C58 -3.3(14) . . . . ?
P3 C54 C59 C58 176.9(8) . . . . ?
C65 C60 C61 C62 0.1(13) . . . . ?
P4 C60 C61 C62 -175.8(7) . . . . ?
C60 C61 C62 C63 0.4(14) . . . . ?
C61 C62 C63 C64 -1.3(14) . . . . ?
C62 C63 C64 C65 1.6(14) . . . . ?
C63 C64 C65 C60 -1.2(13) . . . . ?
C61 C60 C65 C64 0.3(12) . . . . ?
P4 C60 C65 C64 176.1(7) . . . . ?
C71 C66 C67 C68 0.3(12) . . . . ?
P4 C66 C67 C68 175.3(7) . . . . ?
C66 C67 C68 C69 -1.6(14) . . . . ?
C67 C68 C69 C70 2.8(16) . . . . ?
C68 C69 C70 C71 -2.5(16) . . . . ?
C67 C66 C71 C70 -0.2(13) . . . . ?
P4 C66 C71 C70 -175.1(7) . . . . ?
C69 C70 C71 C66 1.3(15) . . . . ?
P4 C72 C73 C74 77.1(7) . . . . ?
P4 C72 C73 C76 -165.8(5) . . . . ?
P4 C72 C73 C75 -50.4(8) . . . . ?
C76 C73 C74 P5 -170.5(6) . . . . ?
C72 C73 C74 P5 -53.7(8) . . . . ?
C75 C73 C74 P5 72.5(8) . . . . ?
C74 C73 C75 P6 -48.0(9) . . . . ?
C76 C73 C75 P6 -165.8(6) . . . . ?
C72 C73 C75 P6 78.4(8) . . . . ?
C82 C77 C78 C79 0.0(15) . . . . ?
P5 C77 C78 C79 173.2(9) . . . . ?
C77 C78 C79 C80 0.5(17) . . . . ?
C78 C79 C80 C81 -0.6(17) . . . . ?
C79 C80 C81 C82 0.2(17) . . . . ?
C80 C81 C82 C77 0.4(15) . . . . ?
C78 C77 C82 C81 -0.5(14) . . . . ?
P5 C77 C82 C81 -173.1(7) . . . . ?
C88 C83 C84 C85 1.5(13) . . . . ?
P5 C83 C84 C85 -178.4(7) . . . . ?
C83 C84 C85 C86 -0.8(15) . . . . ?
C84 C85 C86 C87 -1.6(16) . . . . ?
C85 C86 C87 C88 3.2(16) . . . . ?
C86 C87 C88 C83 -2.4(15) . . . . ?
C84 C83 C88 C87 0.0(13) . . . . ?
P5 C83 C88 C87 179.9(7) . . . . ?
C94 C89 C90 C91 -2.7(14) . . . . ?
P6 C89 C90 C91 177.4(8) . . . . ?
C89 C90 C91 C92 2.2(17) . . . . ?
C90 C91 C92 C93 -0.8(19) . . . . ?
C91 C92 C93 C94 0.0(18) . . . . ?
C92 C93 C94 C89 -0.6(17) . . . . ?
C90 C89 C94 C93 1.9(14) . . . . ?
P6 C89 C94 C93 -178.1(8) . . . . ?
C100 C95 C96 C97 1.8(11) . . . . ?
P6 C95 C96 C97 177.2(6) . . . . ?
C95 C96 C97 C98 -0.3(12) . . . . ?
C96 C97 C98 C99 -1.3(13) . . . . ?
C97 C98 C99 C100 1.6(12) . . . . ?
C96 C95 C100 C99 -1.6(11) . . . . ?
P6 C95 C100 C99 -176.8(5) . . . . ?
C98 C99 C100 C95 -0.1(11) . . . . ?
C106 C101 C102 C103 -2.3(11) . . . . ?
P7 C101 C102 C103 -175.0(6) . . . . ?
C101 C102 C103 C104 2.0(12) . . . . ?
C102 C103 C104 C105 -0.8(13) . . . . ?
C103 C104 C105 C106 -0.1(15) . . . . ?
C104 C105 C106 C101 -0.2(15) . . . . ?
C102 C101 C106 C105 1.4(13) . . . . ?
P7 C101 C106 C105 174.4(7) . . . . ?
C112 C107 C108 C109 -2.4(12) . . . . ?
P7 C107 C108 C109 178.7(6) . . . . ?
C107 C108 C109 C110 0.8(13) . . . . ?
C108 C109 C110 C111 0.0(14) . . . . ?
C109 C110 C111 C112 0.8(14) . . . . ?
C108 C107 C112 C111 3.1(11) . . . . ?
P7 C107 C112 C111 -178.0(6) . . . . ?
C110 C111 C112 C107 -2.3(13) . . . . ?
P7 C113 C114 C117 -167.5(6) . . . . ?
P7 C113 C114 C116 76.2(7) . . . . ?
P7 C113 C114 C115 -50.1(8) . . . . ?
C117 C114 C115 P8 -166.0(6) . . . . ?
C116 C114 C115 P8 -48.9(8) . . . . ?
C113 C114 C115 P8 76.4(7) . . . . ?
C117 C114 C116 P9 -172.3(5) . . . . ?
C113 C114 C116 P9 -55.2(8) . . . . ?
C115 C114 C116 P9 70.1(8) . . . . ?
C123 C118 C119 C120 -1.0(13) . . . . ?
P8 C118 C119 C120 174.4(7) . . . . ?
C118 C119 C120 C121 1.3(14) . . . . ?
C119 C120 C121 C122 0.0(15) . . . . ?
C120 C121 C122 C123 -1.5(16) . . . . ?
C121 C122 C123 C118 1.9(15) . . . . ?
C119 C118 C123 C122 -0.6(13) . . . . ?
P8 C118 C123 C122 -176.1(7) . . . . ?
C129 C124 C125 C126 0.7(13) . . . . ?
P8 C124 C125 C126 178.9(7) . . . . ?
C124 C125 C126 C127 1.0(15) . . . . ?
C125 C126 C127 C128 -1.7(16) . . . . ?
C126 C127 C128 C129 0.6(15) . . . . ?
C127 C128 C129 C124 1.1(14) . . . . ?
C125 C124 C129 C128 -1.8(13) . . . . ?
P8 C124 C129 C128 179.9(7) . . . . ?
C135 C130 C131 C132 1.2(13) . . . . ?
P9 C130 C131 C132 -172.3(7) . . . . ?
C130 C131 C132 C133 1.1(14) . . . . ?
C131 C132 C133 C134 -2.5(14) . . . . ?
C132 C133 C134 C135 1.6(14) . . . . ?
C131 C130 C135 C134 -2.0(13) . . . . ?
P9 C130 C135 C134 172.0(7) . . . . ?
C133 C134 C135 C130 0.6(13) . . . . ?
C141 C136 C137 C138 1.0(13) . . . . ?
P9 C136 C137 C138 -179.9(7) . . . . ?
C136 C137 C138 C139 0.6(14) . . . . ?
C137 C138 C139 C140 -2.4(16) . . . . ?
C138 C139 C140 C141 2.6(16) . . . . ?
C137 C136 C141 C140 -0.8(14) . . . . ?
P9 C136 C141 C140 -180.0(7) . . . . ?
C139 C140 C141 C136 -1.0(15) . . . . ?
C30 C25 P1 C31 -12.0(9) . . . . ?
C26 C25 P1 C31 171.1(7) . . . . ?
C30 C25 P1 C19 95.8(8) . . . . ?
C26 C25 P1 C19 -81.0(8) . . . . ?
C30 C25 P1 Co1 -133.0(7) . . . . ?
C26 C25 P1 Co1 50.1(8) . . . . ?
C32 C31 P1 C25 -96.1(6) . . . . ?
C32 C31 P1 C19 156.1(6) . . . . ?
C32 C31 P1 Co1 23.7(7) . . . . ?
C20 C19 P1 C25 -164.4(8) . . . . ?
C24 C19 P1 C25 11.3(9) . . . . ?
C20 C19 P1 C31 -52.6(9) . . . . ?
C24 C19 P1 C31 123.1(8) . . . . ?
C20 C19 P1 Co1 72.9(9) . . . . ?
C24 C19 P1 Co1 -111.4(8) . . . . ?
C43 C42 P2 C36 -84.8(7) . . . . ?
C47 C42 P2 C36 91.0(7) . . . . ?
C43 C42 P2 C33 24.1(8) . . . . ?
C47 C42 P2 C33 -160.1(7) . . . . ?
C43 C42 P2 Co1 147.6(6) . . . . ?
C47 C42 P2 Co1 -36.6(8) . . . . ?
C41 C36 P2 C42 -50.5(7) . . . . ?
C37 C36 P2 C42 130.3(7) . . . . ?
C41 C36 P2 C33 -161.0(7) . . . . ?
C37 C36 P2 C33 19.8(8) . . . . ?
C41 C36 P2 Co1 75.3(7) . . . . ?
C37 C36 P2 Co1 -103.9(7) . . . . ?
C32 C33 P2 C42 145.2(6) . . . . ?
C32 C33 P2 C36 -108.3(6) . . . . ?
C32 C33 P2 Co1 19.4(7) . . . . ?
C55 C54 P3 C48 -64.9(8) . . . . ?
C59 C54 P3 C48 115.0(8) . . . . ?
C55 C54 P3 C34 -168.8(7) . . . . ?
C59 C54 P3 C34 11.1(9) . . . . ?
C55 C54 P3 Co1 68.2(8) . . . . ?
C59 C54 P3 Co1 -111.9(8) . . . . ?
C53 C48 P3 C54 135.7(8) . . . . ?
C49 C48 P3 C54 -48.3(7) . . . . ?
C53 C48 P3 C34 -114.1(8) . . . . ?
C49 C48 P3 C34 62.0(7) . . . . ?
C53 C48 P3 Co1 10.0(9) . . . . ?
C49 C48 P3 Co1 -174.0(6) . . . . ?
C32 C34 P3 C54 -114.1(7) . . . . ?
C32 C34 P3 C48 142.6(6) . . . . ?
C32 C34 P3 Co1 10.1(7) . . . . ?
C71 C66 P4 C60 61.8(7) . . . . ?
C67 C66 P4 C60 -113.1(7) . . . . ?
C71 C66 P4 C72 -45.4(7) . . . . ?
C67 C66 P4 C72 139.7(6) . . . . ?
C71 C66 P4 Co2 -167.4(6) . . . . ?
C67 C66 P4 Co2 17.6(7) . . . . ?
C61 C60 P4 C66 43.6(7) . . . . ?
C65 C60 P4 C66 -132.2(7) . . . . ?
C61 C60 P4 C72 151.2(7) . . . . ?
C65 C60 P4 C72 -24.6(8) . . . . ?
C61 C60 P4 Co2 -81.4(7) . . . . ?
C65 C60 P4 Co2 102.9(7) . . . . ?
C73 C72 P4 C66 -142.6(6) . . . . ?
C73 C72 P4 C60 113.7(6) . . . . ?
C73 C72 P4 Co2 -19.7(6) . . . . ?
C73 C74 P5 C83 100.6(7) . . . . ?
C73 C74 P5 C77 -154.4(6) . . . . ?
C73 C74 P5 Co2 -19.4(7) . . . . ?
C84 C83 P5 C74 -11.4(9) . . . . ?
C88 C83 P5 C74 168.7(6) . . . . ?
C84 C83 P5 C77 -116.4(8) . . . . ?
C88 C83 P5 C77 63.7(7) . . . . ?
C84 C83 P5 Co2 110.5(7) . . . . ?
C88 C83 P5 Co2 -69.4(7) . . . . ?
C82 C77 P5 C74 97.5(8) . . . . ?
C78 C77 P5 C74 -75.3(8) . . . . ?
C82 C77 P5 C83 -151.0(7) . . . . ?
C78 C77 P5 C83 36.3(8) . . . . ?
C82 C77 P5 Co2 -28.9(9) . . . . ?
C78 C77 P5 Co2 158.4(6) . . . . ?
C94 C89 P6 C75 172.5(7) . . . . ?
C90 C89 P6 C75 -7.6(9) . . . . ?
C94 C89 P6 C95 65.3(8) . . . . ?
C90 C89 P6 C95 -114.8(8) . . . . ?
C94 C89 P6 Co2 -64.1(8) . . . . ?
C90 C89 P6 Co2 115.8(7) . . . . ?
C73 C75 P6 C89 103.0(7) . . . . ?
C73 C75 P6 C95 -152.0(6) . . . . ?
C73 C75 P6 Co2 -22.5(7) . . . . ?
C100 C95 P6 C89 -156.1(6) . . . . ?
C96 C95 P6 C89 28.6(7) . . . . ?
C100 C95 P6 C75 93.4(7) . . . . ?
C96 C95 P6 C75 -81.9(7) . . . . ?
C100 C95 P6 Co2 -30.4(7) . . . . ?
C96 C95 P6 Co2 154.3(5) . . . . ?
C114 C113 P7 C107 95.8(6) . . . . ?
C114 C113 P7 C101 -157.4(6) . . . . ?
C114 C113 P7 Co3 -23.1(7) . . . . ?
C108 C107 P7 C113 177.2(6) . . . . ?
C112 C107 P7 C113 -1.7(7) . . . . ?
C108 C107 P7 C101 71.3(6) . . . . ?
C112 C107 P7 C101 -107.5(7) . . . . ?
C108 C107 P7 Co3 -60.9(6) . . . . ?
C112 C107 P7 Co3 120.2(6) . . . . ?
C106 C101 P7 C113 -84.8(7) . . . . ?
C102 C101 P7 C113 88.0(7) . . . . ?
C106 C101 P7 C107 27.8(7) . . . . ?
C102 C101 P7 C107 -159.4(6) . . . . ?
C106 C101 P7 Co3 148.6(6) . . . . ?
C102 C101 P7 Co3 -38.6(7) . . . . ?
C119 C118 P8 C124 -101.3(7) . . . . ?
C123 C118 P8 C124 74.0(7) . . . . ?
C119 C118 P8 C115 151.2(7) . . . . ?
C123 C118 P8 C115 -33.5(7) . . . . ?
C119 C118 P8 Co3 27.6(8) . . . . ?
C123 C118 P8 Co3 -157.1(6) . . . . ?
C129 C124 P8 C118 49.7(7) . . . . ?
C125 C124 P8 C118 -128.5(7) . . . . ?
C129 C124 P8 C115 157.8(6) . . . . ?
C125 C124 P8 C115 -20.4(8) . . . . ?
C129 C124 P8 Co3 -76.7(7) . . . . ?
C125 C124 P8 Co3 105.1(7) . . . . ?
C114 C115 P8 C118 -146.0(6) . . . . ?
C114 C115 P8 C124 109.6(6) . . . . ?
C114 C115 P8 Co3 -20.3(7) . . . . ?
C137 C136 P9 C130 -112.3(8) . . . . ?
C141 C136 P9 C130 66.8(7) . . . . ?
C137 C136 P9 C116 -8.6(8) . . . . ?
C141 C136 P9 C116 170.6(7) . . . . ?
C137 C136 P9 Co3 114.9(7) . . . . ?
C141 C136 P9 Co3 -66.0(7) . . . . ?
C131 C130 P9 C136 -137.0(7) . . . . ?
C135 C130 P9 C136 49.2(7) . . . . ?
C131 C130 P9 C116 112.6(7) . . . . ?
C135 C130 P9 C116 -61.2(7) . . . . ?
C131 C130 P9 Co3 -11.1(8) . . . . ?
C135 C130 P9 Co3 175.2(5) . . . . ?
C114 C116 P9 C136 111.0(6) . . . . ?
C114 C116 P9 C130 -143.9(6) . . . . ?
C114 C116 P9 Co3 -12.7(6) . . . . ?
C18 C1 S1 Co1 170.4(6) . . . . ?
C2 C1 S1 Co1 -8.6(7) . . . . ?
C3 C2 S2 Co1 -177.0(6) . . . . ?
C1 C2 S2 Co1 2.7(7) . . . . ?
C6 C7 S3 Co2 177.2(6) . . . . ?
C8 C7 S3 Co2 -2.8(7) . . . . ?
C9 C8 S4 Co2 -178.4(6) . . . . ?
C7 C8 S4 Co2 -0.4(7) . . . . ?
C14 C13 S5 Co3 9.1(7) . . . . ?
C12 C13 S5 Co3 -167.4(6) . . . . ?
C13 C14 S6 Co3 -11.3(7) . . . . ?
C15 C14 S6 Co3 167.2(6) . . . . ?
C142 C143 O1 C144 -169.1(9) . . . . ?
C145 C144 O1 C143 177.1(9) . . . . ?
C149 C148 O2 C147 -178.7 . . . . ?
C146 C147 O2 C148 -174.2 . . . . ?
C153 C152 O3 C151 -129.4 . . . . ?
C150 C151 O3 C152 125.9 . . . . ?
C154 C155 O4 C156 171.5 . . . . ?
C157 C156 O4 C155 177.1 . . . . ?

_refine_diff_density_max         1.465
_refine_diff_density_min         -1.134
_refine_diff_density_rms         0.129




