#------------------------------------------------------------------------------
#$Date: 2024-02-04 13:11:14 +0200 (Sun, 04 Feb 2024) $
#$Revision: 289349 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/23/7132360.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7132360
loop_
_publ_author_name
'Zhou, Benyu'
'Bedajna, Shantabh'
'Gabbaï, François P'
_publ_section_title
;
 Pnictogen bonding at the service of gold catalysis: the case of a
 phosphinostiborane gold complex.
;
_journal_issue                   2
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              192
_journal_page_last               195
_journal_paper_doi               10.1039/d3cc04942f
_journal_volume                  60
_journal_year                    2023
_chemical_formula_moiety         'C61 H68 O3 P Sb'
_chemical_formula_sum            'C61 H68 O3 P Sb'
_chemical_formula_weight         1001.87
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2022-08-17
_audit_creation_method
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_audit_update_record
;
2023-10-03 deposited with the CCDC.	2023-11-16 downloaded from the CCDC.
;
_cell_angle_alpha                91.680(2)
_cell_angle_beta                 101.133(2)
_cell_angle_gamma                96.861(3)
_cell_formula_units_Z            2
_cell_length_a                   10.5770(6)
_cell_length_b                   15.3832(9)
_cell_length_c                   16.6017(9)
_cell_measurement_reflns_used    9677
_cell_measurement_temperature    110.00
_cell_measurement_theta_max      29.580
_cell_measurement_theta_min      2.241
_cell_volume                     2627.6(3)
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      110.00
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0480
_diffrn_reflns_av_unetI/netI     0.0290
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            115494
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.130
_diffrn_reflns_theta_min         2.122
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.599
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.6975
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0767 before and 0.0573 after correction.
The Ratio of minimum to maximum transmission is 0.9351.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear yellowish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.266
_exptl_crystal_description       block
_exptl_crystal_F_000             1048
_exptl_crystal_size_max          0.194
_exptl_crystal_size_mid          0.159
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.045
_refine_diff_density_min         -0.709
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     609
_refine_ls_number_reflns         14122
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0276
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0237P)²+1.9045P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0611
_refine_ls_wR_factor_ref         0.0655
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12511
_reflns_number_total             14122
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3cc04942f2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 7132357--7132360.cif.'
_cod_database_code               7132360
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_max   0.916
_shelx_estimated_absorpt_t_min   0.893
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C29(H29), C8(H8), C3(H3), C27(H27), C43(H43), C47(H47), C6(H6),
 C48(H48), C45(H45), C39(H39), C49(H49), C57(H57), C61(H61), C46(H46), C55(H55),
  C42(H42), C41(H41), C51(H51), C60(H60), C58(H58), C59(H59), C53(H53),
 C40(H40), C54(H54), C52(H52)
2.b Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C14(H14A,H14B,H14C), C19(H19A,H19B,H19C), C31(H31A,H31B,
 H31C), C32(H32A,H32B,H32C), C35(H35A,H35B,H35C), C18(H18A,H18B,H18C), C17(H17A,
 H17B,H17C), C22(H22A,H22B,H22C), C37(H37A,H37B,H37C), C23(H23A,H23B,H23C),
 C33(H33A,H33B,H33C), C21(H21A,H21B,H21C), C36(H36A,H36B,H36C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
Sb1 Sb 0.53860(2) 0.74793(2) 0.59901(2) 0.01384(3) Uani 1 1 d . . . . .
P1 P 0.52541(4) 0.62626(3) 0.80231(2) 0.01661(8) Uani 1 1 d . . . . .
O2 O 0.63574(10) 0.82072(7) 0.69932(6) 0.0168(2) Uani 1 1 d . . . . .
O1 O 0.38638(10) 0.78303(7) 0.64801(6) 0.0161(2) Uani 1 1 d . . . . .
O3 O 0.72626(10) 0.63882(7) 0.71111(6) 0.0160(2) Uani 1 1 d . . . . .
C13 C 0.91810(15) 0.64922(10) 0.81823(9) 0.0153(3) Uani 1 1 d . . . . .
C38 C 0.51825(15) 0.83255(10) 0.50109(9) 0.0158(3) Uani 1 1 d . . . . .
C11 C 0.80016(15) 0.68094(10) 0.65999(9) 0.0144(3) Uani 1 1 d . . . . .
C44 C 0.41406(15) 0.63148(10) 0.55387(9) 0.0159(3) Uani 1 1 d . . . . .
C12 C 0.78388(15) 0.64237(10) 0.79370(9) 0.0152(3) Uani 1 1 d . . . . .
C1 C 0.99870(15) 0.71930(10) 0.61535(9) 0.0163(3) Uani 1 1 d . . . . .
H1 H 1.090535 0.721878 0.623842 0.020 Uiso 1 1 calc R U . . .
C28 C 0.38480(15) 0.95553(10) 0.80512(9) 0.0167(3) Uani 1 1 d . . . . .
C24 C 0.42491(15) 0.84605(10) 0.70947(9) 0.0147(3) Uani 1 1 d . . . . .
C29 C 0.33835(15) 0.89045(10) 0.74211(9) 0.0156(3) Uani 1 1 d . . . . .
H29 H 0.247575 0.876774 0.721779 0.019 Uiso 1 1 calc R U . . .
C8 C 0.96762(15) 0.65712(10) 0.90267(9) 0.0168(3) Uani 1 1 d . . . . .
H8 H 1.059095 0.663807 0.921647 0.020 Uiso 1 1 calc R U . . .
C10 C 0.93416(15) 0.68290(10) 0.67492(9) 0.0149(3) Uani 1 1 d . . . . .
C2 C 0.93218(15) 0.75207(10) 0.54354(9) 0.0165(3) Uani 1 1 d . . . . .
C4 C 0.73121(15) 0.71884(10) 0.59368(9) 0.0150(3) Uani 1 1 d . . . . .
C3 C 0.79828(15) 0.75261(10) 0.53454(9) 0.0164(3) Uani 1 1 d . . . . .
H3 H 0.751915 0.776437 0.487235 0.020 Uiso 1 1 calc R U . . .
C26 C 0.60970(15) 0.92991(10) 0.80170(9) 0.0161(3) Uani 1 1 d . . . . .
C9 C 1.00015(15) 0.64140(10) 0.75219(9) 0.0156(3) Uani 1 1 d . . . . .
C27 C 0.51895(16) 0.97285(10) 0.83401(9) 0.0173(3) Uani 1 1 d . . . . .
H27 H 0.550414 1.015885 0.877763 0.021 Uiso 1 1 calc R U . . .
C20 C 0.94777(16) 0.66898(11) 1.05254(9) 0.0209(3) Uani 1 1 d . . . . .
C25 C 0.55972(15) 0.86611(10) 0.73834(9) 0.0150(3) Uani 1 1 d . . . . .
C5 C 0.69900(15) 0.63699(10) 0.84796(9) 0.0158(3) Uani 1 1 d . . . . .
C7 C 0.88668(16) 0.65551(10) 0.96046(9) 0.0173(3) Uani 1 1 d . . . . .
C15 C 1.14034(16) 0.68316(12) 0.78284(10) 0.0210(3) Uani 1 1 d . . . . .
H15A H 1.141441 0.745069 0.799025 0.031 Uiso 1 1 calc R U . . .
H15B H 1.189443 0.678621 0.738838 0.031 Uiso 1 1 calc R U . . .
H15C H 1.180111 0.652599 0.830328 0.031 Uiso 1 1 calc R U . . .
C16 C 1.00615(16) 0.78690(11) 0.47750(10) 0.0199(3) Uani 1 1 d . . . . .
C43 C 0.42139(16) 0.81039(11) 0.43160(10) 0.0211(3) Uani 1 1 d . . . . .
H43 H 0.360035 0.759642 0.430026 0.025 Uiso 1 1 calc R U . . .
C30 C 0.75680(15) 0.95247(11) 0.83246(10) 0.0182(3) Uani 1 1 d . . . . .
C47 C 0.23704(17) 0.49024(11) 0.48006(10) 0.0216(3) Uani 1 1 d . . . . .
H47 H 0.175907 0.442287 0.454658 0.026 Uiso 1 1 calc R U . . .
C56 C 0.45700(15) 0.64457(11) 0.89353(9) 0.0180(3) Uani 1 1 d . . . . .
C6 C 0.75304(16) 0.64350(10) 0.93199(9) 0.0172(3) Uani 1 1 d . . . . .
H6 H 0.697116 0.639634 0.970519 0.021 Uiso 1 1 calc R U . . .
C48 C 0.22676(17) 0.52691(11) 0.55524(11) 0.0229(3) Uani 1 1 d . . . . .
H48 H 0.159420 0.503281 0.581794 0.028 Uiso 1 1 calc R U . . .
C45 C 0.42623(16) 0.59348(11) 0.47909(10) 0.0204(3) Uani 1 1 d . . . . .
H45 H 0.495738 0.615347 0.453574 0.024 Uiso 1 1 calc R U . . .
C39 C 0.60699(17) 0.90756(11) 0.50359(10) 0.0218(3) Uani 1 1 d . . . . .
H39 H 0.672688 0.923187 0.551217 0.026 Uiso 1 1 calc R U . . .
C34 C 0.28790(16) 1.00749(11) 0.83705(10) 0.0201(3) Uani 1 1 d . . . . .
C49 C 0.31417(16) 0.59796(11) 0.59214(10) 0.0195(3) Uani 1 1 d . . . . .
H49 H 0.305814 0.623597 0.643300 0.023 Uiso 1 1 calc R U . . .
C57 C 0.41731(17) 0.57879(12) 0.94271(10) 0.0221(3) Uani 1 1 d . . . . .
H57 H 0.422713 0.519195 0.928753 0.026 Uiso 1 1 calc R U . . .
C61 C 0.44624(16) 0.73178(11) 0.91416(10) 0.0218(3) Uani 1 1 d . . . . .
H61 H 0.470919 0.776829 0.880209 0.026 Uiso 1 1 calc R U . . .
C14 C 0.99830(17) 0.54257(11) 0.73082(10) 0.0216(3) Uani 1 1 d . . . . .
H14A H 1.038100 0.514207 0.779762 0.032 Uiso 1 1 calc R U . . .
H14B H 1.047305 0.535495 0.687137 0.032 Uiso 1 1 calc R U . . .
H14C H 0.908303 0.515426 0.712019 0.032 Uiso 1 1 calc R U . . .
C50 C 0.48941(16) 0.50724(11) 0.77880(9) 0.0194(3) Uani 1 1 d . . . . .
C46 C 0.33664(17) 0.52351(11) 0.44177(10) 0.0230(3) Uani 1 1 d . . . . .
H46 H 0.343578 0.498465 0.390060 0.028 Uiso 1 1 calc R U . . .
C19 C 0.91863(18) 0.82764(14) 0.40817(11) 0.0288(4) Uani 1 1 d . . . . .
H19A H 0.847957 0.783123 0.381030 0.043 Uiso 1 1 calc R U . . .
H19B H 0.969808 0.849693 0.368047 0.043 Uiso 1 1 calc R U . . .
H19C H 0.882110 0.876194 0.431060 0.043 Uiso 1 1 calc R U . . .
C31 C 0.82346(17) 0.98036(13) 0.76098(11) 0.0266(4) Uani 1 1 d . . . . .
H31A H 0.811965 0.930995 0.720457 0.040 Uiso 1 1 calc R U . . .
H31B H 0.916382 0.998065 0.782105 0.040 Uiso 1 1 calc R U . . .
H31C H 0.784482 1.029755 0.734885 0.040 Uiso 1 1 calc R U . . .
C32 C 0.81234(17) 0.87206(12) 0.87084(11) 0.0256(4) Uani 1 1 d . . . . .
H32A H 0.768458 0.853966 0.915627 0.038 Uiso 1 1 calc R U . . .
H32B H 0.905655 0.886990 0.892530 0.038 Uiso 1 1 calc R U . . .
H32C H 0.798348 0.823900 0.828850 0.038 Uiso 1 1 calc R U . . .
C35 C 0.18580(17) 0.94446(12) 0.86819(11) 0.0250(4) Uani 1 1 d . . . . .
H35A H 0.135504 0.905652 0.822320 0.037 Uiso 1 1 calc R U . . .
H35B H 0.127346 0.978352 0.891442 0.037 Uiso 1 1 calc R U . . .
H35C H 0.229533 0.909251 0.910641 0.037 Uiso 1 1 calc R U . . .
C18 C 1.11895(18) 0.85674(13) 0.51601(11) 0.0294(4) Uani 1 1 d . . . . .
H18A H 1.085211 0.904728 0.541878 0.044 Uiso 1 1 calc R U . . .
H18B H 1.163928 0.879574 0.473190 0.044 Uiso 1 1 calc R U . . .
H18C H 1.179892 0.830591 0.557601 0.044 Uiso 1 1 calc R U . . .
C55 C 0.35949(17) 0.46992(12) 0.75759(11) 0.0257(4) Uani 1 1 d . . . . .
H55 H 0.292759 0.505082 0.761602 0.031 Uiso 1 1 calc R U . . .
C42 C 0.41462(19) 0.86281(12) 0.36435(11) 0.0268(4) Uani 1 1 d . . . . .
H42 H 0.348428 0.847863 0.316851 0.032 Uiso 1 1 calc R U . . .
C41 C 0.50403(19) 0.93657(12) 0.36654(11) 0.0265(4) Uani 1 1 d . . . . .
H41 H 0.500146 0.971562 0.320135 0.032 Uiso 1 1 calc R U . . .
C17 C 1.0596(2) 0.70997(13) 0.43947(11) 0.0306(4) Uani 1 1 d . . . . .
H17A H 1.121450 0.685728 0.481995 0.046 Uiso 1 1 calc R U . . .
H17B H 1.103729 0.730926 0.395611 0.046 Uiso 1 1 calc R U . . .
H17C H 0.987777 0.664323 0.416603 0.046 Uiso 1 1 calc R U . . .
C22 C 1.03641(19) 0.59826(13) 1.07804(11) 0.0286(4) Uani 1 1 d . . . . .
H22A H 0.984210 0.540475 1.071077 0.043 Uiso 1 1 calc R U . . .
H22B H 1.079606 0.609601 1.135788 0.043 Uiso 1 1 calc R U . . .
H22C H 1.101963 0.599577 1.043516 0.043 Uiso 1 1 calc R U . . .
C51 C 0.58457(18) 0.45391(12) 0.77148(10) 0.0235(3) Uani 1 1 d . . . . .
H51 H 0.673601 0.477607 0.785773 0.028 Uiso 1 1 calc R U . . .
C37 C 0.35411(18) 1.07441(12) 0.90735(12) 0.0285(4) Uani 1 1 d . . . . .
H37A H 0.400163 1.043967 0.952849 0.043 Uiso 1 1 calc R U . . .
H37B H 0.288319 1.104964 0.926451 0.043 Uiso 1 1 calc R U . . .
H37C H 0.416144 1.117047 0.887638 0.043 Uiso 1 1 calc R U . . .
C23 C 1.02754(19) 0.76011(12) 1.06788(11) 0.0295(4) Uani 1 1 d . . . . .
H23A H 1.095623 0.763998 1.035145 0.044 Uiso 1 1 calc R U . . .
H23B H 1.067481 0.769514 1.126351 0.044 Uiso 1 1 calc R U . . .
H23C H 0.970435 0.805007 1.051954 0.044 Uiso 1 1 calc R U . . .
C33 C 0.78924(18) 1.02818(12) 0.89813(12) 0.0283(4) Uani 1 1 d . . . . .
H33A H 0.754895 1.080472 0.875004 0.043 Uiso 1 1 calc R U . . .
H33B H 0.883710 1.040729 0.916167 0.043 Uiso 1 1 calc R U . . .
H33C H 0.749846 1.011762 0.945203 0.043 Uiso 1 1 calc R U . . .
C60 C 0.39972(18) 0.75292(12) 0.98394(11) 0.0264(4) Uani 1 1 d . . . . .
H60 H 0.393568 0.812362 0.998012 0.032 Uiso 1 1 calc R U . . .
C58 C 0.36977(18) 0.60047(13) 1.01227(11) 0.0282(4) Uani 1 1 d . . . . .
H58 H 0.342424 0.555519 1.045509 0.034 Uiso 1 1 calc R U . . .
C21 C 0.84545(19) 0.66380(15) 1.10656(11) 0.0336(4) Uani 1 1 d . . . . .
H21A H 0.788040 0.708764 1.091732 0.050 Uiso 1 1 calc R U . . .
H21B H 0.888616 0.673624 1.164452 0.050 Uiso 1 1 calc R U . . .
H21C H 0.794158 0.605695 1.098119 0.050 Uiso 1 1 calc R U . . .
C59 C 0.36216(18) 0.68707(13) 1.03320(11) 0.0288(4) Uani 1 1 d . . . . .
H59 H 0.331229 0.701573 1.081300 0.035 Uiso 1 1 calc R U . . .
C53 C 0.4219(2) 0.33055(13) 0.72318(12) 0.0329(4) Uani 1 1 d . . . . .
H53 H 0.399048 0.270839 0.704141 0.039 Uiso 1 1 calc R U . . .
C40 C 0.59911(18) 0.95956(12) 0.43610(12) 0.0265(4) Uani 1 1 d . . . . .
H40 H 0.659185 1.011005 0.437793 0.032 Uiso 1 1 calc R U . . .
C54 C 0.3264(2) 0.38254(13) 0.73083(12) 0.0328(4) Uani 1 1 d . . . . .
H54 H 0.237587 0.358185 0.717663 0.039 Uiso 1 1 calc R U . . .
C36 C 0.21879(19) 1.05810(13) 0.76671(12) 0.0294(4) Uani 1 1 d . . . . .
H36A H 0.283102 1.098834 0.746891 0.044 Uiso 1 1 calc R U . . .
H36B H 0.156313 1.091079 0.786798 0.044 Uiso 1 1 calc R U . . .
H36C H 0.172890 1.016653 0.721618 0.044 Uiso 1 1 calc R U . . .
C52 C 0.5513(2) 0.36643(13) 0.74355(12) 0.0303(4) Uani 1 1 d . . . . .
H52 H 0.617449 0.331170 0.738433 0.036 Uiso 1 1 calc R U . . .
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'
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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Sb1 O1 79.44(4) . . ?
O2 Sb1 C38 106.75(5) . . ?
O2 Sb1 C44 146.01(5) . . ?
O2 Sb1 C4 81.84(5) . . ?
O1 Sb1 C38 96.43(5) . . ?
O1 Sb1 C44 85.88(5) . . ?
O1 Sb1 C4 159.27(5) . . ?
C38 Sb1 C44 105.24(6) . . ?
C38 Sb1 C4 97.44(6) . . ?
C44 Sb1 C4 105.15(6) . . ?
C5 P1 C50 101.15(7) . . ?
C56 P1 C5 100.78(7) . . ?
C56 P1 C50 104.38(7) . . ?
C25 O2 Sb1 114.36(9) . . ?
C24 O1 Sb1 112.62(9) . . ?
C11 O3 C12 115.82(12) . . ?
C12 C13 C8 116.64(14) . . ?
C12 C13 C9 118.56(13) . . ?
C8 C13 C9 124.66(14) . . ?
C43 C38 Sb1 119.91(11) . . ?
C43 C38 C39 119.95(14) . . ?
C39 C38 Sb1 119.99(11) . . ?
O3 C11 C10 121.20(13) . . ?
C4 C11 O3 115.55(13) . . ?
C4 C11 C10 123.25(14) . . ?
C45 C44 Sb1 117.68(12) . . ?
C49 C44 Sb1 122.06(11) . . ?
C49 C44 C45 119.95(15) . . ?
O3 C12 C13 120.73(13) . . ?
O3 C12 C5 115.56(13) . . ?
C5 C12 C13 123.70(14) . . ?
C10 C1 H1 118.9 . . ?
C10 C1 C2 122.13(14) . . ?
C2 C1 H1 118.9 . . ?
C29 C28 C34 119.08(14) . . ?
C27 C28 C29 118.24(14) . . ?
C27 C28 C34 122.63(14) . . ?
O1 C24 C29 122.83(14) . . ?
O1 C24 C25 116.41(13) . . ?
C29 C24 C25 120.75(14) . . ?
C28 C29 H29 120.0 . . ?
C24 C29 C28 119.91(14) . . ?
C24 C29 H29 120.0 . . ?
C13 C8 H8 118.9 . . ?
C13 C8 C7 122.10(15) . . ?
C7 C8 H8 118.9 . . ?
C11 C10 C1 116.84(14) . . ?
C11 C10 C9 118.44(13) . . ?
C1 C10 C9 124.65(14) . . ?
C1 C2 C16 120.37(14) . . ?
C3 C2 C1 118.06(14) . . ?
C3 C2 C16 121.56(13) . . ?
C11 C4 Sb1 118.51(11) . . ?
C11 C4 C3 118.08(14) . . ?
C3 C4 Sb1 122.09(11) . . ?
C2 C3 H3 119.4 . . ?
C4 C3 C2 121.28(14) . . ?
C4 C3 H3 119.4 . . ?
C27 C26 C30 122.39(14) . . ?
C25 C26 C27 116.65(14) . . ?
C25 C26 C30 120.95(14) . . ?
C13 C9 C14 107.58(12) . . ?
C10 C9 C13 108.10(12) . . ?
C10 C9 C14 107.93(12) . . ?
C15 C9 C13 111.46(13) . . ?
C15 C9 C10 112.26(12) . . ?
C15 C9 C14 109.34(13) . . ?
C28 C27 C26 123.41(14) . . ?
C28 C27 H27 118.3 . . ?
C26 C27 H27 118.3 . . ?
C22 C20 C7 109.92(14) . . ?
C23 C20 C7 108.55(13) . . ?
C23 C20 C22 109.79(15) . . ?
C21 C20 C7 112.33(14) . . ?
C21 C20 C22 107.95(15) . . ?
C21 C20 C23 108.27(15) . . ?
O2 C25 C24 115.59(13) . . ?
O2 C25 C26 123.39(14) . . ?
C26 C25 C24 121.00(14) . . ?
C12 C5 P1 116.51(11) . . ?
C12 C5 C6 117.49(14) . . ?
C6 C5 P1 125.95(12) . . ?
C8 C7 C20 119.42(14) . . ?
C6 C7 C8 118.39(14) . . ?
C6 C7 C20 122.18(14) . . ?
C9 C15 H15A 109.5 . . ?
C9 C15 H15B 109.5 . . ?
C9 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C2 C16 C17 108.76(14) . . ?
C19 C16 C2 112.21(14) . . ?
C19 C16 C18 108.24(15) . . ?
C19 C16 C17 107.96(15) . . ?
C18 C16 C2 110.16(13) . . ?
C18 C16 C17 109.47(15) . . ?
C38 C43 H43 120.1 . . ?
C38 C43 C42 119.79(16) . . ?
C42 C43 H43 120.1 . . ?
C26 C30 C31 110.40(13) . . ?
C26 C30 C32 109.29(13) . . ?
C32 C30 C31 109.83(15) . . ?
C33 C30 C26 111.81(14) . . ?
C33 C30 C31 107.54(14) . . ?
C33 C30 C32 107.92(14) . . ?
C48 C47 H47 120.0 . . ?
C48 C47 C46 119.98(16) . . ?
C46 C47 H47 120.0 . . ?
C57 C56 P1 124.83(13) . . ?
C57 C56 C61 119.25(15) . . ?
C61 C56 P1 115.92(12) . . ?
C5 C6 H6 119.2 . . ?
C7 C6 C5 121.50(14) . . ?
C7 C6 H6 119.2 . . ?
C47 C48 H48 119.8 . . ?
C47 C48 C49 120.44(16) . . ?
C49 C48 H48 119.8 . . ?
C44 C45 H45 120.0 . . ?
C46 C45 C44 119.94(15) . . ?
C46 C45 H45 120.0 . . ?
C38 C39 H39 120.1 . . ?
C40 C39 C38 119.75(16) . . ?
C40 C39 H39 120.1 . . ?
C28 C34 C35 109.98(14) . . ?
C28 C34 C37 112.46(14) . . ?
C28 C34 C36 109.23(13) . . ?
C37 C34 C35 108.42(14) . . ?
C37 C34 C36 107.70(15) . . ?
C36 C34 C35 108.96(15) . . ?
C44 C49 H49 120.2 . . ?
C48 C49 C44 119.69(15) . . ?
C48 C49 H49 120.2 . . ?
C56 C57 H57 120.0 . . ?
C58 C57 C56 120.01(17) . . ?
C58 C57 H57 120.0 . . ?
C56 C61 H61 119.8 . . ?
C60 C61 C56 120.39(16) . . ?
C60 C61 H61 119.8 . . ?
C9 C14 H14A 109.5 . . ?
C9 C14 H14B 109.5 . . ?
C9 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C55 C50 P1 118.58(14) . . ?
C51 C50 P1 123.13(13) . . ?
C51 C50 C55 117.84(16) . . ?
C47 C46 C45 119.97(15) . . ?
C47 C46 H46 120.0 . . ?
C45 C46 H46 120.0 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C50 C55 H55 119.4 . . ?
C54 C55 C50 121.13(18) . . ?
C54 C55 H55 119.4 . . ?
C43 C42 H42 119.9 . . ?
C41 C42 C43 120.13(16) . . ?
C41 C42 H42 119.9 . . ?
C42 C41 H41 119.9 . . ?
C42 C41 C40 120.19(16) . . ?
C40 C41 H41 119.9 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C50 C51 H51 119.5 . . ?
C52 C51 C50 121.02(17) . . ?
C52 C51 H51 119.5 . . ?
C34 C37 H37A 109.5 . . ?
C34 C37 H37B 109.5 . . ?
C34 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C30 C33 H33A 109.5 . . ?
C30 C33 H33B 109.5 . . ?
C30 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C61 C60 H60 120.0 . . ?
C61 C60 C59 119.94(17) . . ?
C59 C60 H60 120.0 . . ?
C57 C58 H58 119.8 . . ?
C59 C58 C57 120.34(17) . . ?
C59 C58 H58 119.8 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C60 C59 H59 120.0 . . ?
C58 C59 C60 120.06(17) . . ?
C58 C59 H59 120.0 . . ?
C54 C53 H53 120.3 . . ?
C54 C53 C52 119.35(18) . . ?
C52 C53 H53 120.3 . . ?
C39 C40 H40 119.9 . . ?
C41 C40 C39 120.17(16) . . ?
C41 C40 H40 119.9 . . ?
C55 C54 H54 119.8 . . ?
C53 C54 C55 120.40(18) . . ?
C53 C54 H54 119.8 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C51 C52 H52 119.9 . . ?
C53 C52 C51 120.26(19) . . ?
C53 C52 H52 119.9 . . ?
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
Sb1 O2 2.0095(11) . ?
Sb1 O1 2.0574(11) . ?
Sb1 C38 2.1069(15) . ?
Sb1 C44 2.1171(15) . ?
Sb1 C4 2.1549(15) . ?
P1 C5 1.8318(16) . ?
P1 C56 1.8284(16) . ?
P1 C50 1.8394(17) . ?
O2 C25 1.3646(18) . ?
O1 C24 1.3543(18) . ?
O3 C11 1.3851(17) . ?
O3 C12 1.3854(17) . ?
C13 C12 1.390(2) . ?
C13 C8 1.395(2) . ?
C13 C9 1.534(2) . ?
C38 C43 1.391(2) . ?
C38 C39 1.392(2) . ?
C11 C10 1.387(2) . ?
C11 C4 1.383(2) . ?
C44 C45 1.392(2) . ?
C44 C49 1.391(2) . ?
C12 C5 1.387(2) . ?
C1 H1 0.9500 . ?
C1 C10 1.400(2) . ?
C1 C2 1.402(2) . ?
C28 C29 1.400(2) . ?
C28 C27 1.398(2) . ?
C28 C34 1.533(2) . ?
C24 C29 1.385(2) . ?
C24 C25 1.407(2) . ?
C29 H29 0.9500 . ?
C8 H8 0.9500 . ?
C8 C7 1.403(2) . ?
C10 C9 1.533(2) . ?
C2 C3 1.396(2) . ?
C2 C16 1.538(2) . ?
C4 C3 1.396(2) . ?
C3 H3 0.9500 . ?
C26 C27 1.405(2) . ?
C26 C25 1.397(2) . ?
C26 C30 1.535(2) . ?
C9 C15 1.527(2) . ?
C9 C14 1.548(2) . ?
C27 H27 0.9500 . ?
C20 C7 1.538(2) . ?
C20 C22 1.536(3) . ?
C20 C23 1.535(2) . ?
C20 C21 1.530(2) . ?
C5 C6 1.398(2) . ?
C7 C6 1.389(2) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C19 1.531(2) . ?
C16 C18 1.531(2) . ?
C16 C17 1.541(3) . ?
C43 H43 0.9500 . ?
C43 C42 1.392(2) . ?
C30 C31 1.539(2) . ?
C30 C32 1.535(2) . ?
C30 C33 1.532(2) . ?
C47 H47 0.9500 . ?
C47 C48 1.383(2) . ?
C47 C46 1.387(2) . ?
C56 C57 1.395(2) . ?
C56 C61 1.398(2) . ?
C6 H6 0.9500 . ?
C48 H48 0.9500 . ?
C48 C49 1.388(2) . ?
C45 H45 0.9500 . ?
C45 C46 1.390(2) . ?
C39 H39 0.9500 . ?
C39 C40 1.391(2) . ?
C34 C35 1.539(2) . ?
C34 C37 1.534(2) . ?
C34 C36 1.537(2) . ?
C49 H49 0.9500 . ?
C57 H57 0.9500 . ?
C57 C58 1.393(2) . ?
C61 H61 0.9500 . ?
C61 C60 1.388(2) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C50 C55 1.398(2) . ?
C50 C51 1.393(2) . ?
C46 H46 0.9500 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C55 H55 0.9500 . ?
C55 C54 1.385(3) . ?
C42 H42 0.9500 . ?
C42 C41 1.382(3) . ?
C41 H41 0.9500 . ?
C41 C40 1.383(3) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C51 H51 0.9500 . ?
C51 C52 1.392(3) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C60 H60 0.9500 . ?
C60 C59 1.389(3) . ?
C58 H58 0.9500 . ?
C58 C59 1.382(3) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C59 H59 0.9500 . ?
C53 H53 0.9500 . ?
C53 C54 1.383(3) . ?
C53 C52 1.386(3) . ?
C40 H40 0.9500 . ?
C54 H54 0.9500 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C52 H52 0.9500 . ?
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
Sb1 O2 C25 C24 8.24(16) . . . . ?
Sb1 O2 C25 C26 -170.45(11) . . . . ?
Sb1 O1 C24 C29 168.73(11) . . . . ?
Sb1 O1 C24 C25 -10.08(16) . . . . ?
Sb1 C38 C43 C42 -174.89(13) . . . . ?
Sb1 C38 C39 C40 175.04(13) . . . . ?
Sb1 C44 C45 C46 -172.02(13) . . . . ?
Sb1 C44 C49 C48 173.09(13) . . . . ?
Sb1 C4 C3 C2 163.71(12) . . . . ?
P1 C5 C6 C7 -176.99(12) . . . . ?
P1 C56 C57 C58 178.21(14) . . . . ?
P1 C56 C61 C60 -177.76(13) . . . . ?
P1 C50 C55 C54 173.06(14) . . . . ?
P1 C50 C51 C52 -171.83(13) . . . . ?
O1 C24 C29 C28 -179.39(13) . . . . ?
O1 C24 C25 O2 1.45(19) . . . . ?
O1 C24 C25 C26 -179.82(13) . . . . ?
O3 C11 C10 C1 173.74(13) . . . . ?
O3 C11 C10 C9 -3.2(2) . . . . ?
O3 C11 C4 Sb1 20.70(18) . . . . ?
O3 C11 C4 C3 -172.17(13) . . . . ?
O3 C12 C5 P1 -0.08(18) . . . . ?
O3 C12 C5 C6 -177.73(13) . . . . ?
C13 C12 C5 P1 -178.88(12) . . . . ?
C13 C12 C5 C6 3.5(2) . . . . ?
C13 C8 C7 C20 -177.09(15) . . . . ?
C13 C8 C7 C6 1.6(2) . . . . ?
C38 C43 C42 C41 0.1(3) . . . . ?
C38 C39 C40 C41 -0.4(3) . . . . ?
C11 O3 C12 C13 -28.6(2) . . . . ?
C11 O3 C12 C5 152.53(14) . . . . ?
C11 C10 C9 C13 -29.58(19) . . . . ?
C11 C10 C9 C15 -152.93(14) . . . . ?
C11 C10 C9 C14 86.51(17) . . . . ?
C11 C4 C3 C2 -2.9(2) . . . . ?
C44 C45 C46 C47 -1.6(3) . . . . ?
C12 O3 C11 C10 34.4(2) . . . . ?
C12 O3 C11 C4 -146.58(14) . . . . ?
C12 C13 C8 C7 2.0(2) . . . . ?
C12 C13 C9 C10 34.85(19) . . . . ?
C12 C13 C9 C15 158.67(14) . . . . ?
C12 C13 C9 C14 -81.47(17) . . . . ?
C12 C5 C6 C7 0.4(2) . . . . ?
C1 C10 C9 C13 153.76(15) . . . . ?
C1 C10 C9 C15 30.4(2) . . . . ?
C1 C10 C9 C14 -90.15(18) . . . . ?
C1 C2 C3 C4 -2.2(2) . . . . ?
C1 C2 C16 C19 -174.50(16) . . . . ?
C1 C2 C16 C18 -53.8(2) . . . . ?
C1 C2 C16 C17 66.13(19) . . . . ?
C29 C28 C27 C26 1.7(2) . . . . ?
C29 C28 C34 C35 57.59(19) . . . . ?
C29 C28 C34 C37 178.53(14) . . . . ?
C29 C28 C34 C36 -61.95(19) . . . . ?
C29 C24 C25 O2 -177.39(13) . . . . ?
C29 C24 C25 C26 1.3(2) . . . . ?
C8 C13 C12 O3 176.66(13) . . . . ?
C8 C13 C12 C5 -4.6(2) . . . . ?
C8 C13 C9 C10 -149.58(15) . . . . ?
C8 C13 C9 C15 -25.8(2) . . . . ?
C8 C13 C9 C14 94.10(18) . . . . ?
C8 C7 C6 C5 -2.8(2) . . . . ?
C10 C11 C4 Sb1 -160.28(12) . . . . ?
C10 C11 C4 C3 6.8(2) . . . . ?
C10 C1 C2 C3 3.9(2) . . . . ?
C10 C1 C2 C16 -176.66(15) . . . . ?
C2 C1 C10 C11 -0.3(2) . . . . ?
C2 C1 C10 C9 176.41(15) . . . . ?
C4 C11 C10 C1 -5.2(2) . . . . ?
C4 C11 C10 C9 177.85(14) . . . . ?
C3 C2 C16 C19 5.0(2) . . . . ?
C3 C2 C16 C18 125.63(17) . . . . ?
C3 C2 C16 C17 -114.40(17) . . . . ?
C9 C13 C12 O3 -7.4(2) . . . . ?
C9 C13 C12 C5 171.33(14) . . . . ?
C9 C13 C8 C7 -173.69(14) . . . . ?
C27 C28 C29 C24 -0.8(2) . . . . ?
C27 C28 C34 C35 -125.13(16) . . . . ?
C27 C28 C34 C37 -4.2(2) . . . . ?
C27 C28 C34 C36 115.33(17) . . . . ?
C27 C26 C25 O2 178.08(13) . . . . ?
C27 C26 C25 C24 -0.5(2) . . . . ?
C27 C26 C30 C31 -122.07(16) . . . . ?
C27 C26 C30 C32 117.03(16) . . . . ?
C27 C26 C30 C33 -2.4(2) . . . . ?
C20 C7 C6 C5 175.82(15) . . . . ?
C25 C24 C29 C28 -0.6(2) . . . . ?
C25 C26 C27 C28 -1.0(2) . . . . ?
C25 C26 C30 C31 56.61(19) . . . . ?
C25 C26 C30 C32 -64.29(18) . . . . ?
C25 C26 C30 C33 176.29(14) . . . . ?
C5 P1 C56 C57 -90.70(15) . . . . ?
C5 P1 C56 C61 88.65(13) . . . . ?
C5 P1 C50 C55 167.51(13) . . . . ?
C5 P1 C50 C51 -20.39(15) . . . . ?
C16 C2 C3 C4 178.33(15) . . . . ?
C43 C38 C39 C40 -0.7(3) . . . . ?
C43 C42 C41 C40 -1.2(3) . . . . ?
C30 C26 C27 C28 177.76(14) . . . . ?
C30 C26 C25 O2 -0.7(2) . . . . ?
C30 C26 C25 C24 -179.29(13) . . . . ?
C47 C48 C49 C44 -1.1(3) . . . . ?
C56 P1 C5 C12 -168.78(12) . . . . ?
C56 P1 C5 C6 8.65(16) . . . . ?
C56 P1 C50 C55 63.19(14) . . . . ?
C56 P1 C50 C51 -124.71(14) . . . . ?
C56 C57 C58 C59 -0.3(3) . . . . ?
C56 C61 C60 C59 -0.7(3) . . . . ?
C48 C47 C46 C45 0.2(3) . . . . ?
C45 C44 C49 C48 -0.3(2) . . . . ?
C39 C38 C43 C42 0.8(3) . . . . ?
C34 C28 C29 C24 176.58(13) . . . . ?
C34 C28 C27 C26 -175.64(14) . . . . ?
C49 C44 C45 C46 1.6(2) . . . . ?
C57 C56 C61 C60 1.6(2) . . . . ?
C57 C58 C59 C60 1.2(3) . . . . ?
C61 C56 C57 C58 -1.1(2) . . . . ?
C61 C60 C59 C58 -0.7(3) . . . . ?
C50 P1 C5 C12 84.04(13) . . . . ?
C50 P1 C5 C6 -98.53(15) . . . . ?
C50 P1 C56 C57 13.89(16) . . . . ?
C50 P1 C56 C61 -166.75(12) . . . . ?
C50 C55 C54 C53 -1.1(3) . . . . ?
C50 C51 C52 C53 -0.6(3) . . . . ?
C46 C47 C48 C49 1.2(3) . . . . ?
C55 C50 C51 C52 0.3(2) . . . . ?
C42 C41 C40 C39 1.4(3) . . . . ?
C22 C20 C7 C8 -58.90(19) . . . . ?
C22 C20 C7 C6 122.48(17) . . . . ?
C51 C50 C55 C54 0.5(3) . . . . ?
C23 C20 C7 C8 61.2(2) . . . . ?
C23 C20 C7 C6 -117.43(17) . . . . ?
C21 C20 C7 C8 -179.11(16) . . . . ?
C21 C20 C7 C6 2.3(2) . . . . ?
C54 C53 C52 C51 0.0(3) . . . . ?
C52 C53 C54 C55 0.8(3) . . . . ?
