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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_2
_database_code_depnum_ccdc_archive 'CCDC 2299051'
loop_
_audit_author_name
_audit_author_address
'Benyu Zhou'
;Texas A and M University
United States of America
;
_audit_update_record             
;
2023-10-03 deposited with the CCDC.	2023-11-16 downloaded from the CCDC.
;
_audit_creation_date             2023-09-29
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C47 H48 O P Sb'
_chemical_formula_sum            'C47 H48 O P Sb'
_chemical_formula_weight         781.57
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'

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

_cell_length_a                   17.478(2)
_cell_length_b                   18.488(2)
_cell_length_c                   12.2139(16)
_cell_angle_alpha                90
_cell_angle_beta                 100.786(5)
_cell_angle_gamma                90
_cell_volume                     3877.2(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9385
_cell_measurement_temperature    110.00
_cell_measurement_theta_max      28.985
_cell_measurement_theta_min      2.501
_shelx_estimated_absorpt_T_max   0.905
_shelx_estimated_absorpt_T_min   0.852
_exptl_absorpt_coefficient_mu    0.787
_exptl_absorpt_correction_T_max  0.4833
_exptl_absorpt_correction_T_min  0.4365
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1061 before and 0.0915 after correction.
The Ratio of minimum to maximum transmission is 0.9032.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.339
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1616
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.136
_exptl_crystal_size_min          0.13
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1012
_diffrn_reflns_av_unetI/netI     0.0619
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            93220
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.156
_diffrn_reflns_theta_min         2.179
_diffrn_ambient_temperature      110.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7638
_reflns_number_total             10438
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_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 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.559
_refine_diff_density_min         -0.638
_refine_diff_density_rms         0.097
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     598
_refine_ls_number_reflns         10438
_refine_ls_number_restraints     351
_refine_ls_R_factor_all          0.0767
_refine_ls_R_factor_gt           0.0467
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0094P)²+8.3255P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0905
_refine_ls_wR_factor_ref         0.1024
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 Sb1A-C4 \\sim Sb1-C5
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C24A \\sim C25A \\sim C26A \\sim C27A \\sim C28A \\sim C29A \\sim C24 \\sim C25
\\sim C26 \\sim C27 \\sim C28 \\sim C29: within 2A with sigma of 0.005 and
sigma for terminal atoms of 0.02 within 2A
C36A \\sim C37A \\sim C38A \\sim C39A \\sim C40A \\sim C41A: within 2A with
sigma of 0.002 and sigma for terminal atoms of 0.02 within 2A
C36 \\sim C37 \\sim C38 \\sim C39 \\sim C40 \\sim C41: within 2A with sigma of
0.003 and sigma for terminal atoms of 0.02 within 2A
C42A \\sim C43A \\sim C44A \\sim C45A \\sim C46A \\sim C47A \\sim C42 \\sim C43
\\sim C44 \\sim C45 \\sim C46 \\sim C47: within 2A with sigma of 0.005 and
sigma for terminal atoms of 0.01 within 2A
P1A \\sim P1: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
within 2A
C30 \\sim C31 \\sim C32 \\sim C33 \\sim C34 \\sim C35 \\sim C30A \\sim C31A
\\sim C32A \\sim C33A \\sim C34A \\sim C35A: within 2A with sigma of 0.005 and
sigma for terminal atoms of 0.02 within 2A
4. Same fragment restrains
{Sb1, C24, C25, C26, C27, C28, C29, C30, C31, C32, C33, C34, C35} sigma for
1-2: 0.02, 1-3: 0.04
as in
{Sb1A, C24A, C25A, C26A, C27A, C28A, C29A, C30A, C31A, C32A, C33A, C34A, C35A}
{P1, C36, C37, C38, C39, C40, C41, C42, C43, C44, C45, C46, C47} sigma for 1-2:
0.005, 1-3: 0.01
as in
{P1A, C36A, C37A, C38A, C39A, C40A, C41A, C42A, C43A, C44A, C45A, C46A, C47A}
5. Others
 Sof(P1A)=Sof(C36A)=Sof(C37A)=Sof(H37A)=Sof(C38A)=Sof(H38A)=Sof(C39A)=
 Sof(H39A)=Sof(C40A)=Sof(H40A)=Sof(C41A)=Sof(H41A)=Sof(C42A)=Sof(C43A)=
 Sof(H43A)=Sof(C44A)=Sof(H44A)=Sof(C45A)=Sof(H45A)=Sof(C46A)=Sof(H46A)=
 Sof(C47A)=Sof(H47A)=Sof(Sb1A)=Sof(C24A)=Sof(C25A)=Sof(H25A)=Sof(C26A)=
 Sof(H26A)=Sof(C27A)=Sof(H27A)=Sof(C28A)=Sof(H28A)=Sof(C29A)=Sof(H29A)=
 Sof(C30A)=Sof(C31A)=Sof(H31A)=Sof(C32A)=Sof(H32A)=Sof(C33A)=Sof(H33A)=
 Sof(C34A)=Sof(H34A)=Sof(C35A)=Sof(H35A)=1-FVAR(1)
 Sof(P1)=Sof(C36)=Sof(C37)=Sof(H37)=Sof(C38)=Sof(H38)=Sof(C39)=Sof(H39)=
 Sof(C40)=Sof(H40)=Sof(C41)=Sof(H41)=Sof(C42)=Sof(C43)=Sof(H43)=Sof(C44)=
 Sof(H44)=Sof(C45)=Sof(H45)=Sof(C46)=Sof(H46)=Sof(C47)=Sof(H47)=Sof(Sb1)=
 Sof(C24)=Sof(C25)=Sof(H25)=Sof(C26)=Sof(H26)=Sof(C27)=Sof(H27)=Sof(C28)=
 Sof(H28)=Sof(C29)=Sof(H29)=Sof(C30)=Sof(C31)=Sof(H31)=Sof(C32)=Sof(H32)=
 Sof(C33)=Sof(H33)=Sof(C34)=Sof(H34)=Sof(C35)=Sof(H35)=FVAR(1)
6.a Aromatic/amide H refined with riding coordinates:
 C37A(H37A), C38A(H38A), C39A(H39A), C40A(H40A), C41A(H41A), C43A(H43A),
 C44A(H44A), C45A(H45A), C46A(H46A), C47A(H47A), C25A(H25A), C26A(H26A),
 C27A(H27A), C28A(H28A), C29A(H29A), C31A(H31A), C32A(H32A), C33A(H33A),
 C34A(H34A), C35A(H35A), C8(H8), C3(H3), C6(H6), C1(H1), C37(H37), C38(H38),
 C39(H39), C40(H40), C41(H41), C43(H43), C44(H44), C45(H45), C46(H46), C47(H47),
  C25(H25), C26(H26), C27(H27), C28(H28), C29(H29), C31(H31), C32(H32),
 C33(H33), C34(H34), C35(H35)
6.b Fitted hexagon refined as free rotating group:
 C36A(C37A,C38A,C39A,C40A,C41A), C42A(C43A,C44A,C45A,C46A,C47A), C24A(C25A,
 C26A,C27A,C28A,C29A), C30A(C31A,C32A,C33A,C34A,C35A), C36(C37,C38,C39,C40,C41),
  C42(C43,C44,C45,C46,C47), C24(C25,C26,C27,C28,C29), C30(C31,C32,C33,C34,C35)
6.c Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C17(H17A,H17B,H17C), C23(H23A,H23B,H23C), C19(H19A,H19B,
 H19C), C18(H18A,H18B,H18C), C15(H15A,H15B,H15C), C21(H21A,H21B,H21C), C22(H22A,
 H22B,H22C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
P1A P 0.1905(4) 0.5684(4) 0.3842(5) 0.0123(12) Uani 0.2843(10) 1 d D . P A 2
C36A C 0.1890(11) 0.6278(8) 0.2612(13) 0.023(2) Uani 0.2843(10) 1 d DG U P A 2
C37A C 0.2318(11) 0.6049(9) 0.1826(13) 0.023(2) Uani 0.2843(10) 1 d DG U P A 2
H37A H 0.256126 0.558745 0.189719 0.028 Uiso 0.2843(10) 1 calc R U P A 2
C38A C 0.2391(10) 0.6495(9) 0.0935(12) 0.024(2) Uani 0.2843(10) 1 d DG U P A 2
H38A H 0.268398 0.633874 0.039795 0.029 Uiso 0.2843(10) 1 calc R U P A 2
C39A C 0.2035(9) 0.7171(9) 0.0831(11) 0.024(3) Uani 0.2843(10) 1 d DG U P A 2
H39A H 0.208519 0.747564 0.022238 0.028 Uiso 0.2843(10) 1 calc R U P A 2
C40A C 0.1607(9) 0.7400(7) 0.1617(12) 0.024(3) Uani 0.2843(10) 1 d DG U P A 2
H40A H 0.136368 0.786125 0.154605 0.029 Uiso 0.2843(10) 1 calc R U P A 2
C41A C 0.1534(10) 0.6953(8) 0.2508(12) 0.024(2) Uani 0.2843(10) 1 d DG U P A 2
H41A H 0.124094 0.710997 0.304530 0.029 Uiso 0.2843(10) 1 calc R U P A 2
C42A C 0.0894(4) 0.5837(7) 0.4090(7) 0.023(2) Uani 0.2843(10) 1 d DG U P A 2
C43A C 0.0243(5) 0.5952(9) 0.3262(6) 0.027(2) Uani 0.2843(10) 1 d DG U P A 2
H43A H 0.029716 0.598324 0.250455 0.032 Uiso 0.2843(10) 1 calc R U P A 2
C44A C -0.0489(5) 0.6021(7) 0.3544(7) 0.031(2) Uani 0.2843(10) 1 d DG U P A 2
H44A H -0.093379 0.609931 0.297815 0.037 Uiso 0.2843(10) 1 calc R U P A 2
C45A C -0.0569(4) 0.5974(5) 0.4653(8) 0.031(2) Uani 0.2843(10) 1 d DG U P A 2
H45A H -0.106841 0.602154 0.484493 0.037 Uiso 0.2843(10) 1 calc R U P A 2
C46A C 0.0083(5) 0.5859(5) 0.5480(6) 0.033(2) Uani 0.2843(10) 1 d DG U P A 2
H46A H 0.002793 0.582771 0.623813 0.040 Uiso 0.2843(10) 1 calc R U P A 2
C47A C 0.0814(4) 0.5790(5) 0.5199(6) 0.030(2) Uani 0.2843(10) 1 d DG U P A 2
H47A H 0.125890 0.571164 0.576456 0.036 Uiso 0.2843(10) 1 calc R U P A 2
Sb1A Sb 0.40601(14) 0.53464(9) 0.60132(19) 0.0176(3) Uani 0.2843(10) 1 d D . P
A 2
C24A C 0.3181(9) 0.5249(9) 0.7046(13) 0.021(3) Uani 0.2843(10) 1 d DG U P A 2
C25A C 0.2829(9) 0.5873(7) 0.7349(13) 0.017(3) Uani 0.2843(10) 1 d DG U P A 2
H25A H 0.294815 0.632848 0.706343 0.021 Uiso 0.2843(10) 1 calc R U P A 2
C26A C 0.2301(10) 0.5830(8) 0.8068(14) 0.017(3) Uani 0.2843(10) 1 d DG U P A 2
H26A H 0.206016 0.625641 0.827487 0.021 Uiso 0.2843(10) 1 calc R U P A 2
C27A C 0.2126(12) 0.5163(9) 0.8486(14) 0.019(3) Uani 0.2843(10) 1 d DG U P A 2
H27A H 0.176547 0.513375 0.897754 0.023 Uiso 0.2843(10) 1 calc R U P A 2
C28A C 0.2478(13) 0.4539(8) 0.8183(16) 0.022(3) Uani 0.2843(10) 1 d DG U P A 2
H28A H 0.235875 0.408316 0.846877 0.027 Uiso 0.2843(10) 1 calc R U P A 2
C29A C 0.3006(12) 0.4582(7) 0.7464(15) 0.021(3) Uani 0.2843(10) 1 d DG U P A 2
H29A H 0.324674 0.415521 0.725733 0.026 Uiso 0.2843(10) 1 calc R U P A 2
C30A C 0.5061(9) 0.5324(12) 0.7340(14) 0.022(3) Uani 0.2843(10) 1 d DG U P A 2
C31A C 0.5074(12) 0.4913(15) 0.8295(17) 0.022(3) Uani 0.2843(10) 1 d DG U P A 2
H31A H 0.463858 0.462018 0.836490 0.027 Uiso 0.2843(10) 1 calc R U P A 2
C32A C 0.5723(13) 0.4929(15) 0.9149(15) 0.022(3) Uani 0.2843(10) 1 d DG U P A 2
H32A H 0.573121 0.464782 0.980186 0.026 Uiso 0.2843(10) 1 calc R U P A 2
C33A C 0.6360(11) 0.5357(13) 0.9047(13) 0.022(3) Uani 0.2843(10) 1 d DG U P A 2
H33A H 0.680315 0.536829 0.963022 0.026 Uiso 0.2843(10) 1 calc R U P A 2
C34A C 0.6347(8) 0.5769(11) 0.8091(12) 0.022(3) Uani 0.2843(10) 1 d DG U P A 2
H34A H 0.678246 0.606111 0.802165 0.027 Uiso 0.2843(10) 1 calc R U P A 2
C35A C 0.5698(9) 0.5752(10) 0.7238(11) 0.021(3) Uani 0.2843(10) 1 d DG U P A 2
H35A H 0.568984 0.603347 0.658468 0.025 Uiso 0.2843(10) 1 calc R U P A 2
O1 O 0.28463(11) 0.43628(10) 0.47482(17) 0.0195(4) Uani 1 1 d . . . . .
C5 C 0.17959(16) 0.47306(14) 0.3358(2) 0.0173(6) Uani 1 1 d D . . . .
C12 C 0.22814(15) 0.41673(14) 0.3844(2) 0.0156(5) Uani 1 1 d . . . . .
C10 C 0.34475(16) 0.31772(14) 0.4745(2) 0.0163(5) Uani 1 1 d . . . . .
C11 C 0.34615(16) 0.38913(14) 0.5090(2) 0.0153(5) Uani 1 1 d . . . . .
C13 C 0.22012(16) 0.34620(14) 0.3456(2) 0.0150(5) Uani 1 1 d . . . . .
C4 C 0.41024(16) 0.41985(14) 0.5810(2) 0.0177(5) Uani 1 1 d D . . . .
C7 C 0.10879(16) 0.38512(14) 0.2044(2) 0.0179(6) Uani 1 1 d . . . . .
C8 C 0.15883(16) 0.33168(14) 0.2561(2) 0.0173(6) Uani 1 1 d . . . . .
H8 H 0.151301 0.283353 0.229880 0.021 Uiso 1 1 calc R U . . .
C3 C 0.47467(16) 0.37591(15) 0.6160(2) 0.0181(6) Uani 1 1 d . . . . .
H3 H 0.519133 0.395890 0.662964 0.022 Uiso 1 1 calc R U . . .
C6 C 0.12133(16) 0.45577(15) 0.2454(2) 0.0190(6) Uani 1 1 d . . . . .
H6 H 0.088750 0.493399 0.210041 0.023 Uiso 1 1 calc R U . . .
C14 C 0.29811(18) 0.23693(15) 0.3095(3) 0.0241(6) Uani 1 1 d . . . . .
H14A H 0.326078 0.266307 0.262975 0.036 Uiso 1 1 calc R U . . .
H14B H 0.251849 0.215620 0.262902 0.036 Uiso 1 1 calc R U . . .
H14C H 0.332293 0.198289 0.345202 0.036 Uiso 1 1 calc R U . . .
C1 C 0.41101(16) 0.27591(14) 0.5144(2) 0.0180(6) Uani 1 1 d . . . . .
H1 H 0.411105 0.226631 0.492456 0.022 Uiso 1 1 calc R U . . .
C9 C 0.27303(16) 0.28518(14) 0.3999(2) 0.0171(6) Uani 1 1 d . . . . .
C16 C 0.54815(17) 0.25726(15) 0.6293(2) 0.0202(6) Uani 1 1 d . . . . .
C20 C 0.04180(18) 0.37015(16) 0.1069(3) 0.0235(6) Uani 1 1 d . . . . .
C2 C 0.47635(16) 0.30297(14) 0.5844(2) 0.0181(6) Uani 1 1 d . . . . .
C17 C 0.54110(18) 0.18005(15) 0.5828(3) 0.0231(6) Uani 1 1 d . . . . .
H17A H 0.496019 0.156196 0.604162 0.035 Uiso 1 1 calc R U . . .
H17B H 0.588479 0.152887 0.613150 0.035 Uiso 1 1 calc R U . . .
H17C H 0.534296 0.181686 0.501348 0.035 Uiso 1 1 calc R U . . .
C23 C 0.03272(19) 0.28942(17) 0.0782(3) 0.0321(8) Uani 1 1 d . . . . .
H23A H 0.079648 0.271983 0.053536 0.048 Uiso 1 1 calc R U . . .
H23B H -0.012587 0.282397 0.018465 0.048 Uiso 1 1 calc R U . . .
H23C H 0.025292 0.262327 0.144408 0.048 Uiso 1 1 calc R U . . .
C19 C 0.5577(2) 0.25329(17) 0.7574(3) 0.0299(7) Uani 1 1 d . . . . .
H19A H 0.564319 0.302201 0.788667 0.045 Uiso 1 1 calc R U . . .
H19B H 0.603520 0.224040 0.787643 0.045 Uiso 1 1 calc R U . . .
H19C H 0.511185 0.231108 0.777243 0.045 Uiso 1 1 calc R U . . .
C18 C 0.62087(18) 0.29201(17) 0.5979(3) 0.0300(7) Uani 1 1 d . . . . .
H18A H 0.614727 0.294431 0.516580 0.045 Uiso 1 1 calc R U . . .
H18B H 0.666781 0.262824 0.628112 0.045 Uiso 1 1 calc R U . . .
H18C H 0.627515 0.340964 0.629014 0.045 Uiso 1 1 calc R U . . .
C15 C 0.22877(18) 0.23914(16) 0.4729(3) 0.0242(6) Uani 1 1 d . . . . .
H15A H 0.262583 0.200061 0.507973 0.036 Uiso 1 1 calc R U . . .
H15B H 0.182161 0.218404 0.426305 0.036 Uiso 1 1 calc R U . . .
H15C H 0.213406 0.269667 0.530679 0.036 Uiso 1 1 calc R U . . .
C21 C -0.03510(18) 0.39619(19) 0.1366(3) 0.0362(9) Uani 1 1 d . . . . .
H21A H -0.046291 0.368123 0.199802 0.054 Uiso 1 1 calc R U . . .
H21B H -0.077357 0.389537 0.072278 0.054 Uiso 1 1 calc R U . . .
H21C H -0.030774 0.447546 0.156648 0.054 Uiso 1 1 calc R U . . .
C22 C 0.0579(2) 0.41084(19) 0.0043(3) 0.0375(8) Uani 1 1 d . . . . .
H22A H 0.064041 0.462527 0.021444 0.056 Uiso 1 1 calc R U . . .
H22B H 0.014192 0.403821 -0.057939 0.056 Uiso 1 1 calc R U . . .
H22C H 0.105748 0.392190 -0.016316 0.056 Uiso 1 1 calc R U . . .
P1 P 0.4053(2) 0.51589(13) 0.6188(3) 0.0159(5) Uani 0.7157(10) 1 d D . P A 1
C36 C 0.3288(4) 0.5157(3) 0.7057(5) 0.0180(11) Uani 0.7157(10) 1 d DG U P A 1
C37 C 0.2954(4) 0.5821(3) 0.7219(5) 0.0185(12) Uani 0.7157(10) 1 d DG U P A 1
H37 H 0.310045 0.624103 0.686046 0.022 Uiso 0.7157(10) 1 calc R U P A 1
C38 C 0.2405(4) 0.5870(3) 0.7905(6) 0.0220(13) Uani 0.7157(10) 1 d DG U P A 1
H38 H 0.217636 0.632430 0.801550 0.026 Uiso 0.7157(10) 1 calc R U P A 1
C39 C 0.2190(5) 0.5256(4) 0.8429(6) 0.0243(13) Uani 0.7157(10) 1 d DG U P A 1
H39 H 0.181527 0.528941 0.889797 0.029 Uiso 0.7157(10) 1 calc R U P A 1
C40 C 0.2525(5) 0.4591(3) 0.8267(6) 0.0240(13) Uani 0.7157(10) 1 d DG U P A 1
H40 H 0.237828 0.417125 0.862540 0.029 Uiso 0.7157(10) 1 calc R U P A 1
C41 C 0.3074(5) 0.4542(3) 0.7581(6) 0.0203(13) Uani 0.7157(10) 1 d DG U P A 1
H41 H 0.330237 0.408797 0.747035 0.024 Uiso 0.7157(10) 1 calc R U P A 1
C42 C 0.4940(3) 0.5247(4) 0.7305(6) 0.0173(12) Uani 0.7157(10) 1 d DG U P A 1
C43 C 0.5045(5) 0.4891(6) 0.8324(7) 0.0210(14) Uani 0.7157(10) 1 d DG U P A 1
H43 H 0.464474 0.459001 0.850031 0.025 Uiso 0.7157(10) 1 calc R U P A 1
C44 C 0.5737(5) 0.4975(6) 0.9086(6) 0.0233(15) Uani 0.7157(10) 1 d DG U P A 1
H44 H 0.580960 0.473219 0.978318 0.028 Uiso 0.7157(10) 1 calc R U P A 1
C45 C 0.6323(4) 0.5416(5) 0.8829(5) 0.0250(14) Uani 0.7157(10) 1 d DG U P A 1
H45 H 0.679634 0.547351 0.934948 0.030 Uiso 0.7157(10) 1 calc R U P A 1
C46 C 0.6218(3) 0.5772(4) 0.7809(5) 0.0246(13) Uani 0.7157(10) 1 d DG U P A 1
H46 H 0.661822 0.607266 0.763288 0.030 Uiso 0.7157(10) 1 calc R U P A 1
C47 C 0.5526(3) 0.5687(4) 0.7047(5) 0.0211(12) Uani 0.7157(10) 1 d DG U P A 1
H47 H 0.545336 0.593048 0.634998 0.025 Uiso 0.7157(10) 1 calc R U P A 1
Sb1 Sb 0.19194(5) 0.58000(4) 0.41228(6) 0.01804(15) Uani 0.7157(10) 1 d D . P A
1
C24 C 0.1958(4) 0.6328(3) 0.2542(5) 0.0239(12) Uani 0.7157(10) 1 d DG U P A 1
C25 C 0.2427(4) 0.6049(3) 0.1841(6) 0.0261(14) Uani 0.7157(10) 1 d DG U P A 1
H25 H 0.266635 0.558981 0.199310 0.031 Uiso 0.7157(10) 1 calc R U P A 1
C26 C 0.2545(4) 0.6443(3) 0.0918(5) 0.0268(13) Uani 0.7157(10) 1 d DG U P A 1
H26 H 0.286551 0.625289 0.043876 0.032 Uiso 0.7157(10) 1 calc R U P A 1
C27 C 0.2194(3) 0.7115(3) 0.0695(4) 0.0255(13) Uani 0.7157(10) 1 d DG U P A 1
H27 H 0.227519 0.738464 0.006419 0.031 Uiso 0.7157(10) 1 calc R U P A 1
C28 C 0.1725(3) 0.7394(3) 0.1396(5) 0.0241(12) Uani 0.7157(10) 1 d DG U P A 1
H28 H 0.148569 0.785332 0.124393 0.029 Uiso 0.7157(10) 1 calc R U P A 1
C29 C 0.1607(4) 0.7000(3) 0.2319(5) 0.0237(11) Uani 0.7157(10) 1 d DG U P A 1
H29 H 0.128651 0.719025 0.279828 0.028 Uiso 0.7157(10) 1 calc R U P A 1
C30 C 0.06866(16) 0.5951(3) 0.4107(3) 0.0227(10) Uani 0.7157(10) 1 d DG U P A 1
C31 C 0.0145(2) 0.6021(3) 0.3123(2) 0.0257(11) Uani 0.7157(10) 1 d DG U P A 1
H31 H 0.031497 0.604165 0.242853 0.031 Uiso 0.7157(10) 1 calc R U P A 1
C32 C -0.0645(2) 0.6060(3) 0.3154(2) 0.0274(10) Uani 0.7157(10) 1 d DG U P A 1
H32 H -0.101466 0.610771 0.248088 0.033 Uiso 0.7157(10) 1 calc R U P A 1
C33 C -0.08931(15) 0.60298(19) 0.4169(3) 0.0270(9) Uani 0.7157(10) 1 d DG U P A
1
H33 H -0.143289 0.605658 0.419063 0.032 Uiso 0.7157(10) 1 calc R U P A 1
C34 C -0.0352(2) 0.59601(18) 0.5154(2) 0.0269(10) Uani 0.7157(10) 1 d DG U P A
1
H34 H -0.052150 0.593938 0.584805 0.032 Uiso 0.7157(10) 1 calc R U P A 1
C35 C 0.04381(19) 0.5921(2) 0.5123(2) 0.0252(9) Uani 0.7157(10) 1 d DG U P A 1
H35 H 0.080814 0.587332 0.579572 0.030 Uiso 0.7157(10) 1 calc R U P A 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
P1A C36A 1.857(7) . ?
P1A C42A 1.870(7) . ?
P1A C5 1.857(7) . ?
C36A C37A 1.3900 . ?
C36A C41A 1.3900 . ?
C37A H37A 0.9500 . ?
C37A C38A 1.3900 . ?
C38A H38A 0.9500 . ?
C38A C39A 1.3900 . ?
C39A H39A 0.9500 . ?
C39A C40A 1.3900 . ?
C40A H40A 0.9500 . ?
C40A C41A 1.3900 . ?
C41A H41A 0.9500 . ?
C42A C43A 1.3900 . ?
C42A C47A 1.3900 . ?
C43A H43A 0.9500 . ?
C43A C44A 1.3900 . ?
C44A H44A 0.9500 . ?
C44A C45A 1.3900 . ?
C45A H45A 0.9500 . ?
C45A C46A 1.3900 . ?
C46A H46A 0.9500 . ?
C46A C47A 1.3900 . ?
C47A H47A 0.9500 . ?
Sb1A C24A 2.171(11) . ?
Sb1A C30A 2.151(12) . ?
Sb1A C4 2.140(3) . ?
C24A C25A 1.3900 . ?
C24A C29A 1.3900 . ?
C25A H25A 0.9500 . ?
C25A C26A 1.3900 . ?
C26A H26A 0.9500 . ?
C26A C27A 1.3900 . ?
C27A H27A 0.9500 . ?
C27A C28A 1.3900 . ?
C28A H28A 0.9500 . ?
C28A C29A 1.3900 . ?
C29A H29A 0.9500 . ?
C30A C31A 1.3900 . ?
C30A C35A 1.3900 . ?
C31A H31A 0.9500 . ?
C31A C32A 1.3900 . ?
C32A H32A 0.9500 . ?
C32A C33A 1.3900 . ?
C33A H33A 0.9500 . ?
C33A C34A 1.3900 . ?
C34A H34A 0.9500 . ?
C34A C35A 1.3900 . ?
C35A H35A 0.9500 . ?
O1 C12 1.385(3) . ?
O1 C11 1.387(3) . ?
C5 C12 1.403(4) . ?
C5 C6 1.392(4) . ?
C5 Sb1 2.180(3) . ?
C12 C13 1.385(4) . ?
C10 C11 1.384(4) . ?
C10 C1 1.402(4) . ?
C10 C9 1.529(4) . ?
C11 C4 1.408(4) . ?
C13 C8 1.406(4) . ?
C13 C9 1.529(4) . ?
C4 C3 1.390(4) . ?
C4 P1 1.841(4) . ?
C7 C8 1.391(4) . ?
C7 C6 1.402(4) . ?
C7 C20 1.531(4) . ?
C8 H8 0.9500 . ?
C3 H3 0.9500 . ?
C3 C2 1.405(4) . ?
C6 H6 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C14 C9 1.546(4) . ?
C1 H1 0.9500 . ?
C1 C2 1.385(4) . ?
C9 C15 1.541(4) . ?
C16 C2 1.527(4) . ?
C16 C17 1.533(4) . ?
C16 C19 1.544(4) . ?
C16 C18 1.535(4) . ?
C20 C23 1.534(4) . ?
C20 C21 1.534(4) . ?
C20 C22 1.532(5) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
P1 C36 1.856(6) . ?
P1 C42 1.870(6) . ?
C36 C37 1.3900 . ?
C36 C41 1.3900 . ?
C37 H37 0.9500 . ?
C37 C38 1.3900 . ?
C38 H38 0.9500 . ?
C38 C39 1.3900 . ?
C39 H39 0.9500 . ?
C39 C40 1.3900 . ?
C40 H40 0.9500 . ?
C40 C41 1.3900 . ?
C41 H41 0.9500 . ?
C42 C43 1.3900 . ?
C42 C47 1.3900 . ?
C43 H43 0.9500 . ?
C43 C44 1.3900 . ?
C44 H44 0.9500 . ?
C44 C45 1.3900 . ?
C45 H45 0.9500 . ?
C45 C46 1.3900 . ?
C46 H46 0.9500 . ?
C46 C47 1.3900 . ?
C47 H47 0.9500 . ?
Sb1 C24 2.176(4) . ?
Sb1 C30 2.169(3) . ?
C24 C25 1.3900 . ?
C24 C29 1.3900 . ?
C25 H25 0.9500 . ?
C25 C26 1.3900 . ?
C26 H26 0.9500 . ?
C26 C27 1.3900 . ?
C27 H27 0.9500 . ?
C27 C28 1.3900 . ?
C28 H28 0.9500 . ?
C28 C29 1.3900 . ?
C29 H29 0.9500 . ?
C30 C31 1.3900 . ?
C30 C35 1.3900 . ?
C31 H31 0.9500 . ?
C31 C32 1.3900 . ?
C32 H32 0.9500 . ?
C32 C33 1.3900 . ?
C33 H33 0.9500 . ?
C33 C34 1.3900 . ?
C34 H34 0.9500 . ?
C34 C35 1.3900 . ?
C35 H35 0.9500 . ?

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
C36A P1A C42A 99.8(5) . . ?
C36A P1A C5 108.6(7) . . ?
C5 P1A C42A 98.7(6) . . ?
C37A C36A P1A 116.8(5) . . ?
C37A C36A C41A 120.0 . . ?
C41A C36A P1A 123.0(5) . . ?
C36A C37A H37A 120.0 . . ?
C38A C37A C36A 120.0 . . ?
C38A C37A H37A 120.0 . . ?
C37A C38A H38A 120.0 . . ?
C37A C38A C39A 120.0 . . ?
C39A C38A H38A 120.0 . . ?
C38A C39A H39A 120.0 . . ?
C40A C39A C38A 120.0 . . ?
C40A C39A H39A 120.0 . . ?
C39A C40A H40A 120.0 . . ?
C39A C40A C41A 120.0 . . ?
C41A C40A H40A 120.0 . . ?
C36A C41A H41A 120.0 . . ?
C40A C41A C36A 120.0 . . ?
C40A C41A H41A 120.0 . . ?
C43A C42A P1A 125.1(4) . . ?
C43A C42A C47A 120.0 . . ?
C47A C42A P1A 114.8(4) . . ?
C42A C43A H43A 120.0 . . ?
C44A C43A C42A 120.0 . . ?
C44A C43A H43A 120.0 . . ?
C43A C44A H44A 120.0 . . ?
C43A C44A C45A 120.0 . . ?
C45A C44A H44A 120.0 . . ?
C44A C45A H45A 120.0 . . ?
C46A C45A C44A 120.0 . . ?
C46A C45A H45A 120.0 . . ?
C45A C46A H46A 120.0 . . ?
C47A C46A C45A 120.0 . . ?
C47A C46A H46A 120.0 . . ?
C42A C47A H47A 120.0 . . ?
C46A C47A C42A 120.0 . . ?
C46A C47A H47A 120.0 . . ?
C30A Sb1A C24A 97.2(7) . . ?
C4 Sb1A C24A 91.6(4) . . ?
C4 Sb1A C30A 91.6(6) . . ?
C25A C24A Sb1A 118.8(7) . . ?
C25A C24A C29A 120.0 . . ?
C29A C24A Sb1A 121.0(7) . . ?
C24A C25A H25A 120.0 . . ?
C24A C25A C26A 120.0 . . ?
C26A C25A H25A 120.0 . . ?
C25A C26A H26A 120.0 . . ?
C25A C26A C27A 120.0 . . ?
C27A C26A H26A 120.0 . . ?
C26A C27A H27A 120.0 . . ?
C28A C27A C26A 120.0 . . ?
C28A C27A H27A 120.0 . . ?
C27A C28A H28A 120.0 . . ?
C27A C28A C29A 120.0 . . ?
C29A C28A H28A 120.0 . . ?
C24A C29A H29A 120.0 . . ?
C28A C29A C24A 120.0 . . ?
C28A C29A H29A 120.0 . . ?
C31A C30A Sb1A 121.7(8) . . ?
C31A C30A C35A 120.0 . . ?
C35A C30A Sb1A 118.3(8) . . ?
C30A C31A H31A 120.0 . . ?
C30A C31A C32A 120.0 . . ?
C32A C31A H31A 120.0 . . ?
C31A C32A H32A 120.0 . . ?
C33A C32A C31A 120.0 . . ?
C33A C32A H32A 120.0 . . ?
C32A C33A H33A 120.0 . . ?
C32A C33A C34A 120.0 . . ?
C34A C33A H33A 120.0 . . ?
C33A C34A H34A 120.0 . . ?
C35A C34A C33A 120.0 . . ?
C35A C34A H34A 120.0 . . ?
C30A C35A H35A 120.0 . . ?
C34A C35A C30A 120.0 . . ?
C34A C35A H35A 120.0 . . ?
C12 O1 C11 118.2(2) . . ?
C12 C5 P1A 123.5(3) . . ?
C12 C5 Sb1 119.26(19) . . ?
C6 C5 P1A 119.1(3) . . ?
C6 C5 C12 117.4(2) . . ?
C6 C5 Sb1 123.2(2) . . ?
O1 C12 C5 115.3(2) . . ?
O1 C12 C13 122.0(2) . . ?
C13 C12 C5 122.7(2) . . ?
C11 C10 C1 117.0(3) . . ?
C11 C10 C9 121.5(2) . . ?
C1 C10 C9 121.5(2) . . ?
O1 C11 C4 114.6(2) . . ?
C10 C11 O1 122.6(2) . . ?
C10 C11 C4 122.8(2) . . ?
C12 C13 C8 117.3(2) . . ?
C12 C13 C9 122.2(2) . . ?
C8 C13 C9 120.5(2) . . ?
C11 C4 Sb1A 115.6(2) . . ?
C11 C4 P1 118.5(2) . . ?
C3 C4 Sb1A 126.0(2) . . ?
C3 C4 C11 117.4(2) . . ?
C3 C4 P1 124.1(2) . . ?
C8 C7 C6 117.2(3) . . ?
C8 C7 C20 123.3(2) . . ?
C6 C7 C20 119.5(2) . . ?
C13 C8 H8 118.6 . . ?
C7 C8 C13 122.7(2) . . ?
C7 C8 H8 118.6 . . ?
C4 C3 H3 118.9 . . ?
C4 C3 C2 122.3(3) . . ?
C2 C3 H3 118.9 . . ?
C5 C6 C7 122.7(3) . . ?
C5 C6 H6 118.7 . . ?
C7 C6 H6 118.7 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C9 C14 H14A 109.5 . . ?
C9 C14 H14B 109.5 . . ?
C9 C14 H14C 109.5 . . ?
C10 C1 H1 118.4 . . ?
C2 C1 C10 123.2(2) . . ?
C2 C1 H1 118.4 . . ?
C10 C9 C13 109.3(2) . . ?
C10 C9 C14 110.0(2) . . ?
C10 C9 C15 108.5(2) . . ?
C13 C9 C14 110.2(2) . . ?
C13 C9 C15 109.3(2) . . ?
C15 C9 C14 109.5(2) . . ?
C2 C16 C17 112.2(2) . . ?
C2 C16 C19 108.4(2) . . ?
C2 C16 C18 110.0(2) . . ?
C17 C16 C19 108.5(2) . . ?
C17 C16 C18 108.1(2) . . ?
C18 C16 C19 109.6(3) . . ?
C7 C20 C23 112.6(2) . . ?
C7 C20 C21 109.6(3) . . ?
C7 C20 C22 108.5(3) . . ?
C21 C20 C23 107.5(3) . . ?
C22 C20 C23 108.6(3) . . ?
C22 C20 C21 110.0(3) . . ?
C3 C2 C16 119.4(2) . . ?
C1 C2 C3 117.3(3) . . ?
C1 C2 C16 123.3(2) . . ?
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 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 . . ?
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 . . ?
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 . . ?
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 . . ?
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 . . ?
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 . . ?
C4 P1 C36 102.3(2) . . ?
C4 P1 C42 101.3(3) . . ?
C36 P1 C42 99.8(3) . . ?
C37 C36 P1 116.5(3) . . ?
C37 C36 C41 120.0 . . ?
C41 C36 P1 123.4(3) . . ?
C36 C37 H37 120.0 . . ?
C38 C37 C36 120.0 . . ?
C38 C37 H37 120.0 . . ?
C37 C38 H38 120.0 . . ?
C37 C38 C39 120.0 . . ?
C39 C38 H38 120.0 . . ?
C38 C39 H39 120.0 . . ?
C40 C39 C38 120.0 . . ?
C40 C39 H39 120.0 . . ?
C39 C40 H40 120.0 . . ?
C41 C40 C39 120.0 . . ?
C41 C40 H40 120.0 . . ?
C36 C41 H41 120.0 . . ?
C40 C41 C36 120.0 . . ?
C40 C41 H41 120.0 . . ?
C43 C42 P1 124.5(3) . . ?
C43 C42 C47 120.0 . . ?
C47 C42 P1 115.5(3) . . ?
C42 C43 H43 120.0 . . ?
C44 C43 C42 120.0 . . ?
C44 C43 H43 120.0 . . ?
C43 C44 H44 120.0 . . ?
C45 C44 C43 120.0 . . ?
C45 C44 H44 120.0 . . ?
C44 C45 H45 120.0 . . ?
C44 C45 C46 120.0 . . ?
C46 C45 H45 120.0 . . ?
C45 C46 H46 120.0 . . ?
C47 C46 C45 120.0 . . ?
C47 C46 H46 120.0 . . ?
C42 C47 H47 120.0 . . ?
C46 C47 C42 120.0 . . ?
C46 C47 H47 120.0 . . ?
C24 Sb1 C5 92.5(2) . . ?
C30 Sb1 C5 95.43(16) . . ?
C30 Sb1 C24 97.5(2) . . ?
C25 C24 Sb1 120.0(2) . . ?
C25 C24 C29 120.0 . . ?
C29 C24 Sb1 119.3(2) . . ?
C24 C25 H25 120.0 . . ?
C24 C25 C26 120.0 . . ?
C26 C25 H25 120.0 . . ?
C25 C26 H26 120.0 . . ?
C27 C26 C25 120.0 . . ?
C27 C26 H26 120.0 . . ?
C26 C27 H27 120.0 . . ?
C26 C27 C28 120.0 . . ?
C28 C27 H27 120.0 . . ?
C27 C28 H28 120.0 . . ?
C27 C28 C29 120.0 . . ?
C29 C28 H28 120.0 . . ?
C24 C29 H29 120.0 . . ?
C28 C29 C24 120.0 . . ?
C28 C29 H29 120.0 . . ?
C31 C30 Sb1 122.3(2) . . ?
C31 C30 C35 120.0 . . ?
C35 C30 Sb1 117.6(2) . . ?
C30 C31 H31 120.0 . . ?
C30 C31 C32 120.0 . . ?
C32 C31 H31 120.0 . . ?
C31 C32 H32 120.0 . . ?
C33 C32 C31 120.0 . . ?
C33 C32 H32 120.0 . . ?
C32 C33 H33 120.0 . . ?
C32 C33 C34 120.0 . . ?
C34 C33 H33 120.0 . . ?
C33 C34 H34 120.0 . . ?
C33 C34 C35 120.0 . . ?
C35 C34 H34 120.0 . . ?
C30 C35 H35 120.0 . . ?
C34 C35 C30 120.0 . . ?
C34 C35 H35 120.0 . . ?

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
P1A C36A C37A C38A -174.2(14) . . . . ?
P1A C36A C41A C40A 173.9(15) . . . . ?
P1A C42A C43A C44A 176.6(9) . . . . ?
P1A C42A C47A C46A -176.9(9) . . . . ?
P1A C5 C12 O1 1.9(4) . . . . ?
P1A C5 C12 C13 -178.6(3) . . . . ?
P1A C5 C6 C7 -179.4(3) . . . . ?
C36A P1A C42A C43A 34.6(10) . . . . ?
C36A P1A C42A C47A -148.7(9) . . . . ?
C36A P1A C5 C12 131.2(6) . . . . ?
C36A P1A C5 C6 -47.5(7) . . . . ?
C36A C37A C38A C39A 0.0 . . . . ?
C37A C36A C41A C40A 0.0 . . . . ?
C37A C38A C39A C40A 0.0 . . . . ?
C38A C39A C40A C41A 0.0 . . . . ?
C39A C40A C41A C36A 0.0 . . . . ?
C41A C36A C37A C38A 0.0 . . . . ?
C42A P1A C36A C37A -146.0(8) . . . . ?
C42A P1A C36A C41A 40.0(12) . . . . ?
C42A P1A C5 C12 -125.3(4) . . . . ?
C42A P1A C5 C6 56.0(4) . . . . ?
C42A C43A C44A C45A 0.0 . . . . ?
C43A C42A C47A C46A 0.0 . . . . ?
C43A C44A C45A C46A 0.0 . . . . ?
C44A C45A C46A C47A 0.0 . . . . ?
C45A C46A C47A C42A 0.0 . . . . ?
C47A C42A C43A C44A 0.0 . . . . ?
Sb1A C24A C25A C26A -175.8(11) . . . . ?
Sb1A C24A C29A C28A 175.7(12) . . . . ?
Sb1A C30A C31A C32A -178.1(15) . . . . ?
Sb1A C30A C35A C34A 178.2(14) . . . . ?
Sb1A C4 C3 C2 -169.8(2) . . . . ?
C24A C25A C26A C27A 0.0 . . . . ?
C25A C24A C29A C28A 0.0 . . . . ?
C25A C26A C27A C28A 0.0 . . . . ?
C26A C27A C28A C29A 0.0 . . . . ?
C27A C28A C29A C24A 0.0 . . . . ?
C29A C24A C25A C26A 0.0 . . . . ?
C30A C31A C32A C33A 0.0 . . . . ?
C31A C30A C35A C34A 0.0 . . . . ?
C31A C32A C33A C34A 0.0 . . . . ?
C32A C33A C34A C35A 0.0 . . . . ?
C33A C34A C35A C30A 0.0 . . . . ?
C35A C30A C31A C32A 0.0 . . . . ?
O1 C12 C13 C8 177.5(2) . . . . ?
O1 C12 C13 C9 -0.1(4) . . . . ?
O1 C11 C4 Sb1A -9.0(3) . . . . ?
O1 C11 C4 C3 -178.4(2) . . . . ?
O1 C11 C4 P1 -0.6(3) . . . . ?
C5 P1A C36A C37A -43.3(10) . . . . ?
C5 P1A C36A C41A 142.6(9) . . . . ?
C5 P1A C42A C43A -76.1(6) . . . . ?
C5 P1A C42A C47A 100.6(7) . . . . ?
C5 C12 C13 C8 -2.0(4) . . . . ?
C5 C12 C13 C9 -179.5(3) . . . . ?
C12 O1 C11 C10 -15.2(4) . . . . ?
C12 O1 C11 C4 164.5(2) . . . . ?
C12 C5 C6 C7 1.7(4) . . . . ?
C12 C13 C8 C7 2.0(4) . . . . ?
C12 C13 C9 C10 -15.8(4) . . . . ?
C12 C13 C9 C14 -136.8(3) . . . . ?
C12 C13 C9 C15 102.8(3) . . . . ?
C10 C11 C4 Sb1A 170.6(2) . . . . ?
C10 C11 C4 C3 1.3(4) . . . . ?
C10 C11 C4 P1 179.1(2) . . . . ?
C10 C1 C2 C3 0.2(4) . . . . ?
C10 C1 C2 C16 179.1(3) . . . . ?
C11 O1 C12 C5 -164.0(2) . . . . ?
C11 O1 C12 C13 16.6(4) . . . . ?
C11 C10 C1 C2 -0.6(4) . . . . ?
C11 C10 C9 C13 17.1(4) . . . . ?
C11 C10 C9 C14 138.2(3) . . . . ?
C11 C10 C9 C15 -102.0(3) . . . . ?
C11 C4 C3 C2 -1.7(4) . . . . ?
C11 C4 P1 C36 68.2(3) . . . . ?
C11 C4 P1 C42 170.9(3) . . . . ?
C4 C3 C2 C1 1.0(4) . . . . ?
C4 C3 C2 C16 -177.9(3) . . . . ?
C4 P1 C36 C37 -162.4(3) . . . . ?
C4 P1 C36 C41 21.0(4) . . . . ?
C4 P1 C42 C43 -64.6(5) . . . . ?
C4 P1 C42 C47 113.5(4) . . . . ?
C8 C13 C9 C10 166.8(2) . . . . ?
C8 C13 C9 C14 45.7(3) . . . . ?
C8 C13 C9 C15 -74.7(3) . . . . ?
C8 C7 C6 C5 -1.7(4) . . . . ?
C8 C7 C20 C23 3.9(4) . . . . ?
C8 C7 C20 C21 123.6(3) . . . . ?
C8 C7 C20 C22 -116.2(3) . . . . ?
C3 C4 P1 C36 -114.2(3) . . . . ?
C3 C4 P1 C42 -11.5(4) . . . . ?
C6 C5 C12 O1 -179.3(2) . . . . ?
C6 C5 C12 C13 0.2(4) . . . . ?
C6 C7 C8 C13 -0.2(4) . . . . ?
C6 C7 C20 C23 -175.8(3) . . . . ?
C6 C7 C20 C21 -56.1(4) . . . . ?
C6 C7 C20 C22 64.0(3) . . . . ?
C1 C10 C11 O1 179.5(2) . . . . ?
C1 C10 C11 C4 -0.2(4) . . . . ?
C1 C10 C9 C13 -165.3(2) . . . . ?
C1 C10 C9 C14 -44.1(3) . . . . ?
C1 C10 C9 C15 75.7(3) . . . . ?
C9 C10 C11 O1 -2.8(4) . . . . ?
C9 C10 C11 C4 177.6(3) . . . . ?
C9 C10 C1 C2 -178.4(3) . . . . ?
C9 C13 C8 C7 179.6(3) . . . . ?
C20 C7 C8 C13 -180.0(3) . . . . ?
C20 C7 C6 C5 178.1(3) . . . . ?
C17 C16 C2 C3 -177.9(3) . . . . ?
C17 C16 C2 C1 3.3(4) . . . . ?
C19 C16 C2 C3 62.3(3) . . . . ?
C19 C16 C2 C1 -116.5(3) . . . . ?
C18 C16 C2 C3 -57.5(3) . . . . ?
C18 C16 C2 C1 123.6(3) . . . . ?
P1 C4 C3 C2 -179.3(2) . . . . ?
P1 C36 C37 C38 -176.8(5) . . . . ?
P1 C36 C41 C40 176.5(5) . . . . ?
P1 C42 C43 C44 178.0(6) . . . . ?
P1 C42 C47 C46 -178.2(6) . . . . ?
C36 P1 C42 C43 40.2(5) . . . . ?
C36 P1 C42 C47 -141.7(5) . . . . ?
C36 C37 C38 C39 0.0 . . . . ?
C37 C36 C41 C40 0.0 . . . . ?
C37 C38 C39 C40 0.0 . . . . ?
C38 C39 C40 C41 0.0 . . . . ?
C39 C40 C41 C36 0.0 . . . . ?
C41 C36 C37 C38 0.0 . . . . ?
C42 P1 C36 C37 93.7(4) . . . . ?
C42 P1 C36 C41 -83.0(5) . . . . ?
C42 C43 C44 C45 0.0 . . . . ?
C43 C42 C47 C46 0.0 . . . . ?
C43 C44 C45 C46 0.0 . . . . ?
C44 C45 C46 C47 0.0 . . . . ?
C45 C46 C47 C42 0.0 . . . . ?
C47 C42 C43 C44 0.0 . . . . ?
Sb1 C5 C12 O1 -4.3(3) . . . . ?
Sb1 C5 C12 C13 175.2(2) . . . . ?
Sb1 C5 C6 C7 -173.0(2) . . . . ?
Sb1 C24 C25 C26 -170.2(5) . . . . ?
Sb1 C24 C29 C28 170.2(5) . . . . ?
Sb1 C30 C31 C32 175.0(3) . . . . ?
Sb1 C30 C35 C34 -175.2(3) . . . . ?
C24 C25 C26 C27 0.0 . . . . ?
C25 C24 C29 C28 0.0 . . . . ?
C25 C26 C27 C28 0.0 . . . . ?
C26 C27 C28 C29 0.0 . . . . ?
C27 C28 C29 C24 0.0 . . . . ?
C29 C24 C25 C26 0.0 . . . . ?
C30 C31 C32 C33 0.0 . . . . ?
C31 C30 C35 C34 0.0 . . . . ?
C31 C32 C33 C34 0.0 . . . . ?
C32 C33 C34 C35 0.0 . . . . ?
C33 C34 C35 C30 0.0 . . . . ?
C35 C30 C31 C32 0.0 . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_2_AuCl
_database_code_depnum_ccdc_archive 'CCDC 2299052'
loop_
_audit_author_name
_audit_author_address
'Benyu Zhou'
;Texas A and M University
United States of America
;
_audit_update_record             
;
2023-10-03 deposited with the CCDC.	2023-11-16 downloaded from the CCDC.
;
_audit_creation_date             2023-08-10
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C47 H48 Au Cl O P Sb'
_chemical_formula_sum            'C47 H48 Au Cl O P Sb'
_chemical_formula_weight         1013.99
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'

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

_cell_length_a                   17.3843(11)
_cell_length_b                   10.5399(7)
_cell_length_c                   24.0882(15)
_cell_angle_alpha                90
_cell_angle_beta                 107.186(2)
_cell_angle_gamma                90
_cell_volume                     4216.6(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9888
_cell_measurement_temperature    110.00
_cell_measurement_theta_max      29.407
_cell_measurement_theta_min      2.288
_shelx_estimated_absorpt_T_max   0.532
_shelx_estimated_absorpt_T_min   0.408
_exptl_absorpt_coefficient_mu    4.251
_exptl_absorpt_correction_T_max  0.5640
_exptl_absorpt_correction_T_min  0.4157
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0859 before and 0.0672 after correction.
The Ratio of minimum to maximum transmission is 0.7371.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.597
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2000
_exptl_crystal_size_max          0.257
_exptl_crystal_size_mid          0.256
_exptl_crystal_size_min          0.17
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0891
_diffrn_reflns_av_unetI/netI     0.0439
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            131675
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.130
_diffrn_reflns_theta_min         1.770
_diffrn_ambient_temperature      110.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9032
_reflns_number_total             11353
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_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)'
_refine_diff_density_max         0.989
_refine_diff_density_min         -1.127
_refine_diff_density_rms         0.136
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     477
_refine_ls_number_reflns         11353
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0493
_refine_ls_R_factor_gt           0.0302
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0115P)²+6.5894P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0506
_refine_ls_wR_factor_ref         0.0547
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Aromatic/amide H refined with riding coordinates:
 C37(H37), C39(H39), C41(H41), C47(H47), C6(H6), C38(H38), C46(H46), C40(H40),
 C25(H25), C43(H43), C3(H3), C26(H26), C1(H1), C29(H29), C8(H8), C27(H27),
 C35(H35), C28(H28), C45(H45), C44(H44), C34(H34), C32(H32), C31(H31), C33(H33)
1.b Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C22(H22A,H22B,H22C), C21(H21A,H21B,
 H21C), C18(H18A,H18B,H18C), C17(H17A,H17B,H17C), C23(H23A,H23B,H23C), C19(H19A,
 H19B,H19C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.50349(2) 0.09012(2) 0.32979(2) 0.01522(3) Uani 1 1 d . . . . .
Sb1 Sb 0.56405(2) 0.26467(2) 0.21669(2) 0.01565(5) Uani 1 1 d . . . . .
P1 P 0.49266(5) 0.27184(8) 0.37447(3) 0.01354(16) Uani 1 1 d . . . . .
Cl1 Cl 0.51224(5) -0.09634(8) 0.28271(4) 0.02440(17) Uani 1 1 d . . . . .
O1 O 0.41480(12) 0.3416(2) 0.25555(8) 0.0149(5) Uani 1 1 d . . . . .
C36 C 0.50361(17) 0.2550(3) 0.45147(12) 0.0156(6) Uani 1 1 d . . . . .
C37 C 0.46452(19) 0.1542(3) 0.46939(13) 0.0202(7) Uani 1 1 d . . . . .
H37 H 0.438441 0.090964 0.442224 0.024 Uiso 1 1 calc R U . . .
C5 C 0.39395(17) 0.3455(3) 0.34687(12) 0.0136(6) Uani 1 1 d . . . . .
C39 C 0.5030(2) 0.2355(3) 0.56655(14) 0.0232(7) Uani 1 1 d . . . . .
H39 H 0.502477 0.229575 0.605792 0.028 Uiso 1 1 calc R U . . .
C41 C 0.54360(19) 0.3445(3) 0.49220(13) 0.0204(7) Uani 1 1 d . . . . .
H41 H 0.571201 0.412791 0.480742 0.024 Uiso 1 1 calc R U . . .
C47 C 0.54760(19) 0.5111(3) 0.34940(14) 0.0210(7) Uani 1 1 d . . . . .
H47 H 0.493357 0.539305 0.339856 0.025 Uiso 1 1 calc R U . . .
C4 C 0.44818(18) 0.3406(3) 0.16777(13) 0.0149(6) Uani 1 1 d . . . . .
C24 C 0.57847(18) 0.1539(3) 0.14540(13) 0.0167(7) Uani 1 1 d . . . . .
C6 C 0.34510(18) 0.3692(3) 0.38260(13) 0.0146(6) Uani 1 1 d . . . . .
H6 H 0.366190 0.355550 0.423265 0.018 Uiso 1 1 calc R U . . .
C42 C 0.56667(18) 0.3872(3) 0.36837(12) 0.0159(6) Uani 1 1 d . . . . .
C38 C 0.4636(2) 0.1459(3) 0.52675(14) 0.0230(7) Uani 1 1 d . . . . .
H38 H 0.435760 0.078258 0.538491 0.028 Uiso 1 1 calc R U . . .
C12 C 0.36300(17) 0.3676(3) 0.28732(13) 0.0125(6) Uani 1 1 d . . . . .
C46 C 0.6072(2) 0.5935(4) 0.34435(15) 0.0277(8) Uani 1 1 d . . . . .
H46 H 0.593765 0.677972 0.331265 0.033 Uiso 1 1 calc R U . . .
C40 C 0.5433(2) 0.3343(3) 0.54956(14) 0.0255(8) Uani 1 1 d . . . . .
H40 H 0.570866 0.395436 0.577287 0.031 Uiso 1 1 calc R U . . .
C25 C 0.56089(19) 0.0249(3) 0.14340(14) 0.0220(7) Uani 1 1 d . . . . .
H25 H 0.546042 -0.013395 0.174443 0.026 Uiso 1 1 calc R U . . .
C43 C 0.64678(19) 0.3471(3) 0.38208(14) 0.0222(7) Uani 1 1 d . . . . .
H43 H 0.660584 0.262440 0.394723 0.027 Uiso 1 1 calc R U . . .
C11 C 0.39069(18) 0.3657(3) 0.19632(12) 0.0133(6) Uani 1 1 d . . . . .
C13 C 0.28487(17) 0.4106(3) 0.26286(12) 0.0136(6) Uani 1 1 d . . . . .
C3 C 0.42711(19) 0.3627(3) 0.10861(13) 0.0170(7) Uani 1 1 d . . . . .
H3 H 0.465959 0.347485 0.088721 0.020 Uiso 1 1 calc R U . . .
C10 C 0.31430(17) 0.4098(3) 0.16757(12) 0.0142(6) Uani 1 1 d . . . . .
C2 C 0.35099(19) 0.4065(3) 0.07693(12) 0.0173(6) Uani 1 1 d . . . . .
C26 C 0.5648(2) -0.0483(3) 0.09652(15) 0.0250(8) Uani 1 1 d . . . . .
H26 H 0.552816 -0.136365 0.095761 0.030 Uiso 1 1 calc R U . . .
C9 C 0.25010(17) 0.4322(3) 0.19778(12) 0.0154(6) Uani 1 1 d . . . . .
C30 C 0.63123(19) 0.4267(3) 0.20277(13) 0.0194(7) Uani 1 1 d . . . . .
C7 C 0.26657(17) 0.4122(3) 0.36009(13) 0.0156(6) Uani 1 1 d . . . . .
C1 C 0.29623(18) 0.4292(3) 0.10768(13) 0.0170(7) Uani 1 1 d . . . . .
H1 H 0.244104 0.459313 0.087064 0.020 Uiso 1 1 calc R U . . .
C29 C 0.6004(2) 0.2073(3) 0.09961(14) 0.0229(7) Uani 1 1 d . . . . .
H29 H 0.613008 0.295175 0.100479 0.027 Uiso 1 1 calc R U . . .
C8 C 0.23811(17) 0.4307(3) 0.30015(13) 0.0152(6) Uani 1 1 d . . . . .
H8 H 0.184123 0.458479 0.283905 0.018 Uiso 1 1 calc R U . . .
C27 C 0.5861(2) 0.0057(3) 0.05085(14) 0.0244(8) Uani 1 1 d . . . . .
H27 H 0.588290 -0.044535 0.018595 0.029 Uiso 1 1 calc R U . . .
C35 C 0.5989(2) 0.5481(3) 0.19682(15) 0.0256(8) Uani 1 1 d . . . . .
H35 H 0.544092 0.559510 0.195390 0.031 Uiso 1 1 calc R U . . .
C28 C 0.6043(2) 0.1343(4) 0.05270(15) 0.0269(8) Uani 1 1 d . . . . .
H28 H 0.619382 0.172193 0.021690 0.032 Uiso 1 1 calc R U . . .
C45 C 0.6862(2) 0.5527(4) 0.35840(15) 0.0284(8) Uani 1 1 d . . . . .
H45 H 0.727099 0.609293 0.355032 0.034 Uiso 1 1 calc R U . . .
C44 C 0.7058(2) 0.4302(4) 0.37727(15) 0.0266(8) Uani 1 1 d . . . . .
H44 H 0.760259 0.402845 0.387013 0.032 Uiso 1 1 calc R U . . .
C14 C 0.2191(2) 0.5691(3) 0.18708(14) 0.0258(8) Uani 1 1 d . . . . .
H14A H 0.263374 0.628185 0.203943 0.039 Uiso 1 1 calc R U . . .
H14B H 0.176199 0.582264 0.205291 0.039 Uiso 1 1 calc R U . . .
H14C H 0.197864 0.584376 0.145182 0.039 Uiso 1 1 calc R U . . .
C34 C 0.6450(2) 0.6530(4) 0.19294(16) 0.0334(9) Uani 1 1 d . . . . .
H34 H 0.622144 0.735587 0.189366 0.040 Uiso 1 1 calc R U . . .
C20 C 0.20998(19) 0.4312(3) 0.39771(13) 0.0194(7) Uani 1 1 d . . . . .
C16 C 0.3307(2) 0.4275(3) 0.01128(13) 0.0243(8) Uani 1 1 d . . . . .
C15 C 0.18079(19) 0.3375(4) 0.17368(14) 0.0254(8) Uani 1 1 d . . . . .
H15A H 0.139480 0.350041 0.193391 0.038 Uiso 1 1 calc R U . . .
H15B H 0.201612 0.250621 0.180443 0.038 Uiso 1 1 calc R U . . .
H15C H 0.157181 0.351441 0.131862 0.038 Uiso 1 1 calc R U . . .
C32 C 0.7581(2) 0.5172(4) 0.19978(16) 0.0329(9) Uani 1 1 d . . . . .
H32 H 0.812494 0.506422 0.200195 0.040 Uiso 1 1 calc R U . . .
C31 C 0.7121(2) 0.4129(4) 0.20467(14) 0.0274(8) Uani 1 1 d . . . . .
H31 H 0.735797 0.330790 0.209374 0.033 Uiso 1 1 calc R U . . .
C22 C 0.1663(2) 0.5587(4) 0.38353(17) 0.0350(10) Uani 1 1 d . . . . .
H22A H 0.134058 0.559804 0.342591 0.052 Uiso 1 1 calc R U . . .
H22B H 0.206012 0.627483 0.390732 0.052 Uiso 1 1 calc R U . . .
H22C H 0.131031 0.570449 0.408186 0.052 Uiso 1 1 calc R U . . .
C21 C 0.1469(2) 0.3250(4) 0.38383(16) 0.0288(8) Uani 1 1 d . . . . .
H21A H 0.173976 0.242627 0.392429 0.043 Uiso 1 1 calc R U . . .
H21B H 0.116153 0.328685 0.342596 0.043 Uiso 1 1 calc R U . . .
H21C H 0.110353 0.335844 0.407601 0.043 Uiso 1 1 calc R U . . .
C18 C 0.3447(3) 0.3042(4) -0.01789(15) 0.0410(11) Uani 1 1 d . . . . .
H18A H 0.310399 0.237115 -0.009942 0.062 Uiso 1 1 calc R U . . .
H18B H 0.401366 0.279122 -0.002472 0.062 Uiso 1 1 calc R U . . .
H18C H 0.331478 0.317360 -0.059942 0.062 Uiso 1 1 calc R U . . .
C33 C 0.7243(2) 0.6374(4) 0.19427(15) 0.0349(10) Uani 1 1 d . . . . .
H33 H 0.755945 0.709196 0.191395 0.042 Uiso 1 1 calc R U . . .
C17 C 0.3851(3) 0.5307(5) -0.00003(19) 0.0517(13) Uani 1 1 d . . . . .
H17A H 0.441476 0.507723 0.018568 0.077 Uiso 1 1 calc R U . . .
H17B H 0.373131 0.611156 0.016040 0.077 Uiso 1 1 calc R U . . .
H17C H 0.375792 0.539719 -0.041988 0.077 Uiso 1 1 calc R U . . .
C23 C 0.2557(2) 0.4276(5) 0.46270(15) 0.0390(11) Uani 1 1 d . . . . .
H23A H 0.298931 0.490876 0.471309 0.059 Uiso 1 1 calc R U . . .
H23B H 0.278845 0.343028 0.473108 0.059 Uiso 1 1 calc R U . . .
H23C H 0.218511 0.446717 0.485242 0.059 Uiso 1 1 calc R U . . .
C19 C 0.2430(3) 0.4668(5) -0.01625(16) 0.0452(12) Uani 1 1 d . . . . .
H19A H 0.232491 0.546152 0.001390 0.068 Uiso 1 1 calc R U . . .
H19B H 0.207354 0.400156 -0.009681 0.068 Uiso 1 1 calc R U . . .
H19C H 0.233044 0.479139 -0.058107 0.068 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 P1 2.2320(8) . ?
Au1 Cl1 2.2964(8) . ?
Sb1 C4 2.164(3) . ?
Sb1 C24 2.152(3) . ?
Sb1 C30 2.150(3) . ?
P1 C36 1.816(3) . ?
P1 C5 1.821(3) . ?
P1 C42 1.808(3) . ?
O1 C12 1.371(3) . ?
O1 C11 1.387(3) . ?
C36 C37 1.397(4) . ?
C36 C41 1.390(4) . ?
C37 H37 0.9500 . ?
C37 C38 1.389(4) . ?
C5 C6 1.399(4) . ?
C5 C12 1.395(4) . ?
C39 H39 0.9500 . ?
C39 C38 1.376(5) . ?
C39 C40 1.382(5) . ?
C41 H41 0.9500 . ?
C41 C40 1.388(4) . ?
C47 H47 0.9500 . ?
C47 C42 1.391(4) . ?
C47 C46 1.384(5) . ?
C4 C11 1.396(4) . ?
C4 C3 1.382(4) . ?
C24 C25 1.391(5) . ?
C24 C29 1.389(4) . ?
C6 H6 0.9500 . ?
C6 C7 1.388(4) . ?
C42 C43 1.398(4) . ?
C38 H38 0.9500 . ?
C12 C13 1.388(4) . ?
C46 H46 0.9500 . ?
C46 C45 1.383(5) . ?
C40 H40 0.9500 . ?
C25 H25 0.9500 . ?
C25 C26 1.386(5) . ?
C43 H43 0.9500 . ?
C43 C44 1.380(5) . ?
C11 C10 1.384(4) . ?
C13 C9 1.522(4) . ?
C13 C8 1.394(4) . ?
C3 H3 0.9500 . ?
C3 C2 1.396(4) . ?
C10 C9 1.520(4) . ?
C10 C1 1.398(4) . ?
C2 C1 1.389(4) . ?
C2 C16 1.531(4) . ?
C26 H26 0.9500 . ?
C26 C27 1.383(5) . ?
C9 C14 1.536(4) . ?
C9 C15 1.540(4) . ?
C30 C35 1.389(5) . ?
C30 C31 1.402(4) . ?
C7 C8 1.395(4) . ?
C7 C20 1.535(4) . ?
C1 H1 0.9500 . ?
C29 H29 0.9500 . ?
C29 C28 1.386(5) . ?
C8 H8 0.9500 . ?
C27 H27 0.9500 . ?
C27 C28 1.389(5) . ?
C35 H35 0.9500 . ?
C35 C34 1.386(5) . ?
C28 H28 0.9500 . ?
C45 H45 0.9500 . ?
C45 C44 1.377(5) . ?
C44 H44 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C34 H34 0.9500 . ?
C34 C33 1.379(5) . ?
C20 C22 1.532(5) . ?
C20 C21 1.532(5) . ?
C20 C23 1.533(5) . ?
C16 C18 1.531(5) . ?
C16 C17 1.518(5) . ?
C16 C19 1.529(5) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C32 H32 0.9500 . ?
C32 C31 1.384(5) . ?
C32 C33 1.386(6) . ?
C31 H31 0.9500 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C33 H33 0.9500 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 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
P1 Au1 Cl1 178.94(3) . . ?
C24 Sb1 C4 94.31(11) . . ?
C30 Sb1 C4 94.73(12) . . ?
C30 Sb1 C24 96.30(12) . . ?
C36 P1 Au1 114.22(11) . . ?
C36 P1 C5 102.57(13) . . ?
C5 P1 Au1 113.23(10) . . ?
C42 P1 Au1 111.99(10) . . ?
C42 P1 C36 106.64(14) . . ?
C42 P1 C5 107.47(14) . . ?
C12 O1 C11 119.3(2) . . ?
C37 C36 P1 118.4(2) . . ?
C41 C36 P1 122.3(2) . . ?
C41 C36 C37 119.0(3) . . ?
C36 C37 H37 119.8 . . ?
C38 C37 C36 120.3(3) . . ?
C38 C37 H37 119.8 . . ?
C6 C5 P1 122.0(2) . . ?
C12 C5 P1 118.8(2) . . ?
C12 C5 C6 118.9(3) . . ?
C38 C39 H39 119.9 . . ?
C38 C39 C40 120.2(3) . . ?
C40 C39 H39 119.9 . . ?
C36 C41 H41 119.9 . . ?
C40 C41 C36 120.1(3) . . ?
C40 C41 H41 119.9 . . ?
C42 C47 H47 119.8 . . ?
C46 C47 H47 119.8 . . ?
C46 C47 C42 120.4(3) . . ?
C11 C4 Sb1 119.2(2) . . ?
C3 C4 Sb1 123.0(2) . . ?
C3 C4 C11 117.8(3) . . ?
C25 C24 Sb1 118.8(2) . . ?
C29 C24 Sb1 122.5(2) . . ?
C29 C24 C25 118.6(3) . . ?
C5 C6 H6 119.2 . . ?
C7 C6 C5 121.6(3) . . ?
C7 C6 H6 119.2 . . ?
C47 C42 P1 123.5(2) . . ?
C47 C42 C43 119.1(3) . . ?
C43 C42 P1 117.4(2) . . ?
C37 C38 H38 120.0 . . ?
C39 C38 C37 120.0(3) . . ?
C39 C38 H38 120.0 . . ?
O1 C12 C5 115.1(3) . . ?
O1 C12 C13 123.4(3) . . ?
C13 C12 C5 121.5(3) . . ?
C47 C46 H46 120.1 . . ?
C45 C46 C47 119.9(3) . . ?
C45 C46 H46 120.1 . . ?
C39 C40 C41 120.3(3) . . ?
C39 C40 H40 119.8 . . ?
C41 C40 H40 119.8 . . ?
C24 C25 H25 119.7 . . ?
C26 C25 C24 120.6(3) . . ?
C26 C25 H25 119.7 . . ?
C42 C43 H43 120.0 . . ?
C44 C43 C42 120.1(3) . . ?
C44 C43 H43 120.0 . . ?
O1 C11 C4 115.4(3) . . ?
C10 C11 O1 122.0(3) . . ?
C10 C11 C4 122.5(3) . . ?
C12 C13 C9 121.8(3) . . ?
C12 C13 C8 117.4(3) . . ?
C8 C13 C9 120.8(3) . . ?
C4 C3 H3 118.7 . . ?
C4 C3 C2 122.6(3) . . ?
C2 C3 H3 118.7 . . ?
C11 C10 C9 123.0(3) . . ?
C11 C10 C1 117.1(3) . . ?
C1 C10 C9 119.9(3) . . ?
C3 C2 C16 120.3(3) . . ?
C1 C2 C3 117.0(3) . . ?
C1 C2 C16 122.7(3) . . ?
C25 C26 H26 119.7 . . ?
C27 C26 C25 120.6(3) . . ?
C27 C26 H26 119.7 . . ?
C13 C9 C14 109.0(3) . . ?
C13 C9 C15 108.7(3) . . ?
C10 C9 C13 110.2(2) . . ?
C10 C9 C14 109.7(3) . . ?
C10 C9 C15 108.8(3) . . ?
C14 C9 C15 110.4(3) . . ?
C35 C30 Sb1 121.7(2) . . ?
C35 C30 C31 118.1(3) . . ?
C31 C30 Sb1 119.9(3) . . ?
C6 C7 C8 117.2(3) . . ?
C6 C7 C20 122.7(3) . . ?
C8 C7 C20 120.0(3) . . ?
C10 C1 H1 118.5 . . ?
C2 C1 C10 123.0(3) . . ?
C2 C1 H1 118.5 . . ?
C24 C29 H29 119.6 . . ?
C28 C29 C24 120.9(3) . . ?
C28 C29 H29 119.6 . . ?
C13 C8 C7 123.3(3) . . ?
C13 C8 H8 118.3 . . ?
C7 C8 H8 118.3 . . ?
C26 C27 H27 120.4 . . ?
C26 C27 C28 119.2(3) . . ?
C28 C27 H27 120.4 . . ?
C30 C35 H35 119.4 . . ?
C34 C35 C30 121.2(3) . . ?
C34 C35 H35 119.4 . . ?
C29 C28 C27 120.2(3) . . ?
C29 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
C46 C45 H45 119.9 . . ?
C44 C45 C46 120.2(3) . . ?
C44 C45 H45 119.9 . . ?
C43 C44 H44 119.8 . . ?
C45 C44 C43 120.3(3) . . ?
C45 C44 H44 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 . . ?
C35 C34 H34 120.1 . . ?
C33 C34 C35 119.9(4) . . ?
C33 C34 H34 120.1 . . ?
C22 C20 C7 110.2(3) . . ?
C22 C20 C21 108.5(3) . . ?
C22 C20 C23 108.8(3) . . ?
C21 C20 C7 108.5(3) . . ?
C21 C20 C23 109.1(3) . . ?
C23 C20 C7 111.8(3) . . ?
C18 C16 C2 109.4(3) . . ?
C17 C16 C2 108.9(3) . . ?
C17 C16 C18 109.5(3) . . ?
C17 C16 C19 108.8(3) . . ?
C19 C16 C2 112.5(3) . . ?
C19 C16 C18 107.7(3) . . ?
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 . . ?
C31 C32 H32 120.1 . . ?
C31 C32 C33 119.7(3) . . ?
C33 C32 H32 120.1 . . ?
C30 C31 H31 119.6 . . ?
C32 C31 C30 120.9(4) . . ?
C32 C31 H31 119.6 . . ?
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 . . ?
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 . . ?
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 . . ?
C34 C33 C32 120.2(3) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 H33 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 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 . . ?
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 . . ?

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
Au1 P1 C36 C37 -43.6(3) . . . . ?
Au1 P1 C36 C41 142.0(2) . . . . ?
Au1 P1 C5 C6 120.4(2) . . . . ?
Au1 P1 C5 C12 -53.3(3) . . . . ?
Au1 P1 C42 C47 129.0(2) . . . . ?
Au1 P1 C42 C43 -49.2(3) . . . . ?
Sb1 C4 C11 O1 1.5(4) . . . . ?
Sb1 C4 C11 C10 -177.5(2) . . . . ?
Sb1 C4 C3 C2 177.1(2) . . . . ?
Sb1 C24 C25 C26 176.2(2) . . . . ?
Sb1 C24 C29 C28 -176.0(3) . . . . ?
Sb1 C30 C35 C34 174.3(3) . . . . ?
Sb1 C30 C31 C32 -175.6(3) . . . . ?
P1 C36 C37 C38 -172.6(3) . . . . ?
P1 C36 C41 C40 173.3(3) . . . . ?
P1 C5 C6 C7 -172.7(2) . . . . ?
P1 C5 C12 O1 -6.0(4) . . . . ?
P1 C5 C12 C13 173.0(2) . . . . ?
P1 C42 C43 C44 178.9(3) . . . . ?
O1 C12 C13 C9 0.2(5) . . . . ?
O1 C12 C13 C8 178.7(3) . . . . ?
O1 C11 C10 C9 -1.6(5) . . . . ?
O1 C11 C10 C1 -179.2(3) . . . . ?
C36 P1 C5 C6 -3.2(3) . . . . ?
C36 P1 C5 C12 -176.9(2) . . . . ?
C36 P1 C42 C47 -105.4(3) . . . . ?
C36 P1 C42 C43 76.5(3) . . . . ?
C36 C37 C38 C39 -1.6(5) . . . . ?
C36 C41 C40 C39 -0.3(5) . . . . ?
C37 C36 C41 C40 -1.1(5) . . . . ?
C5 P1 C36 C37 79.4(3) . . . . ?
C5 P1 C36 C41 -95.1(3) . . . . ?
C5 P1 C42 C47 4.0(3) . . . . ?
C5 P1 C42 C43 -174.1(2) . . . . ?
C5 C6 C7 C8 0.1(5) . . . . ?
C5 C6 C7 C20 176.2(3) . . . . ?
C5 C12 C13 C9 -178.6(3) . . . . ?
C5 C12 C13 C8 -0.2(5) . . . . ?
C41 C36 C37 C38 2.0(5) . . . . ?
C47 C42 C43 C44 0.6(5) . . . . ?
C47 C46 C45 C44 0.2(5) . . . . ?
C4 C11 C10 C9 177.4(3) . . . . ?
C4 C11 C10 C1 -0.2(5) . . . . ?
C4 C3 C2 C1 0.8(5) . . . . ?
C4 C3 C2 C16 -179.1(3) . . . . ?
C24 C25 C26 C27 -0.2(5) . . . . ?
C24 C29 C28 C27 0.0(5) . . . . ?
C6 C5 C12 O1 -179.9(3) . . . . ?
C6 C5 C12 C13 -0.9(5) . . . . ?
C6 C7 C8 C13 -1.3(5) . . . . ?
C6 C7 C20 C22 134.4(3) . . . . ?
C6 C7 C20 C21 -107.0(3) . . . . ?
C6 C7 C20 C23 13.3(5) . . . . ?
C42 P1 C36 C37 -167.8(2) . . . . ?
C42 P1 C36 C41 17.7(3) . . . . ?
C42 P1 C5 C6 -115.4(3) . . . . ?
C42 P1 C5 C12 70.9(3) . . . . ?
C42 C47 C46 C45 -0.2(5) . . . . ?
C42 C43 C44 C45 -0.7(5) . . . . ?
C38 C39 C40 C41 0.7(5) . . . . ?
C12 O1 C11 C4 177.9(3) . . . . ?
C12 O1 C11 C10 -3.1(4) . . . . ?
C12 C5 C6 C7 1.0(5) . . . . ?
C12 C13 C9 C10 -4.3(4) . . . . ?
C12 C13 C9 C14 -124.8(3) . . . . ?
C12 C13 C9 C15 114.8(3) . . . . ?
C12 C13 C8 C7 1.3(5) . . . . ?
C46 C47 C42 P1 -178.3(3) . . . . ?
C46 C47 C42 C43 -0.2(5) . . . . ?
C46 C45 C44 C43 0.3(5) . . . . ?
C40 C39 C38 C37 0.2(5) . . . . ?
C25 C24 C29 C28 0.5(5) . . . . ?
C25 C26 C27 C28 0.6(5) . . . . ?
C11 O1 C12 C5 -177.3(3) . . . . ?
C11 O1 C12 C13 3.8(4) . . . . ?
C11 C4 C3 C2 -1.1(5) . . . . ?
C11 C10 C9 C13 5.0(4) . . . . ?
C11 C10 C9 C14 125.0(3) . . . . ?
C11 C10 C9 C15 -114.1(3) . . . . ?
C11 C10 C1 C2 -0.1(5) . . . . ?
C3 C4 C11 O1 179.8(3) . . . . ?
C3 C4 C11 C10 0.8(5) . . . . ?
C3 C2 C1 C10 -0.2(5) . . . . ?
C3 C2 C16 C18 56.4(4) . . . . ?
C3 C2 C16 C17 -63.2(4) . . . . ?
C3 C2 C16 C19 176.1(3) . . . . ?
C26 C27 C28 C29 -0.5(5) . . . . ?
C9 C13 C8 C7 179.8(3) . . . . ?
C9 C10 C1 C2 -177.7(3) . . . . ?
C30 C35 C34 C33 0.8(5) . . . . ?
C1 C10 C9 C13 -177.5(3) . . . . ?
C1 C10 C9 C14 -57.4(4) . . . . ?
C1 C10 C9 C15 63.5(4) . . . . ?
C1 C2 C16 C18 -123.6(4) . . . . ?
C1 C2 C16 C17 116.8(4) . . . . ?
C1 C2 C16 C19 -3.9(5) . . . . ?
C29 C24 C25 C26 -0.4(5) . . . . ?
C8 C13 C9 C10 177.3(3) . . . . ?
C8 C13 C9 C14 56.9(4) . . . . ?
C8 C13 C9 C15 -63.6(4) . . . . ?
C8 C7 C20 C22 -49.6(4) . . . . ?
C8 C7 C20 C21 69.0(4) . . . . ?
C8 C7 C20 C23 -170.7(3) . . . . ?
C35 C30 C31 C32 -1.0(5) . . . . ?
C35 C34 C33 C32 -0.3(6) . . . . ?
C20 C7 C8 C13 -177.5(3) . . . . ?
C16 C2 C1 C10 179.8(3) . . . . ?
C31 C30 C35 C34 -0.1(5) . . . . ?
C31 C32 C33 C34 -0.8(6) . . . . ?
C33 C32 C31 C30 1.5(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_3_AuCl
_database_code_depnum_ccdc_archive 'CCDC 2299054'
loop_
_audit_author_name
_audit_author_address
'Benyu Zhou'
;Texas A and M University
United States of America
;
_audit_update_record             
;
2023-10-03 deposited with the CCDC.	2023-11-16 downloaded from the CCDC.
;
_audit_creation_date             2023-06-29
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C61 H68 Au Cl O3 P Sb, C4 H10 O'
_chemical_formula_sum            'C65 H78 Au Cl O4 P Sb'
_chemical_formula_weight         1308.41
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'

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

_cell_length_a                   10.8607(12)
_cell_length_b                   14.1687(16)
_cell_length_c                   20.185(2)
_cell_angle_alpha                77.272(3)
_cell_angle_beta                 80.912(3)
_cell_angle_gamma                86.225(3)
_cell_volume                     2990.2(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9257
_cell_measurement_temperature    110.00
_cell_measurement_theta_max      29.581
_cell_measurement_theta_min      2.288
_shelx_estimated_absorpt_T_max   0.762
_shelx_estimated_absorpt_T_min   0.547
_exptl_absorpt_coefficient_mu    3.019
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.6084
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1042 before and 0.0580 after correction.
The Ratio of minimum to maximum transmission is 0.8157.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_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    1.453
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1324
_exptl_crystal_size_max          0.227
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.095
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0476
_diffrn_reflns_av_unetI/netI     0.0267
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            136697
_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         29.624
_diffrn_reflns_theta_min         1.981
_diffrn_ambient_temperature      110.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15029
_reflns_number_total             16816
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_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 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.002
_refine_diff_density_min         -0.838
_refine_diff_density_rms         0.088
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     694
_refine_ls_number_reflns         16816
_refine_ls_number_restraints     15
_refine_ls_R_factor_all          0.0315
_refine_ls_R_factor_gt           0.0241
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0160P)²+3.9214P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0507
_refine_ls_wR_factor_ref         0.0537
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O4-C64 \\sim O4-C64A
 with sigma of 0.02
 C65-C64 \\sim C65A-C64A
 with sigma of 0.02
 O4-C65 \\sim O4-C65A
 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
O4 \\sim C64A \\sim C65A: within 2A with sigma of 0.005 and sigma for terminal
atoms of 0.01 within 2A
4. Others
 Sof(C64A)=Sof(H64C)=Sof(H64D)=Sof(C65A)=Sof(H65D)=Sof(H65E)=Sof(H65F)=1-FVAR(1)
 Sof(C64)=Sof(H64A)=Sof(H64B)=Sof(C65)=Sof(H65A)=Sof(H65B)=Sof(H65C)=FVAR(1)
5.a Secondary CH2 refined with riding coordinates:
 C63(H63A,H63B), C64(H64A,H64B), C64A(H64C,H64D)
5.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C3(H3), C6(H6), C8(H8), C25(H25), C26(H26), C27(H27), C28(H28),
 C29(H29), C31(H31), C32(H32), C33(H33), C34(H34), C35(H35), C37(H37), C38(H38),
  C39(H39), C40(H40), C41(H41), C43(H43), C44(H44), C45(H45), C46(H46),
 C47(H47), C50(H50), C52(H52)
5.c Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C17(H17A,H17B,H17C), C18(H18A,H18B,
 H18C), C19(H19A,H19B,H19C), C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C23(H23A,
 H23B,H23C), C55(H55A,H55B,H55C), C56(H56A,H56B,H56C), C57(H57A,H57B,H57C),
 C59(H59A,H59B,H59C), C60(H60A,H60B,H60C), C61(H61A,H61B,H61C), C62(H62A,H62B,
 H62C), C65(H65A,H65B,H65C), C65A(H65D,H65E,H65F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.24154(2) 0.50292(2) 0.85360(2) 0.01637(2) Uani 1 1 d . . . . .
Sb1 Sb 0.61900(2) 0.47783(2) 0.65496(2) 0.01619(3) Uani 1 1 d . . . . .
Cl1 Cl 0.16000(6) 0.35588(4) 0.90840(3) 0.02515(12) Uani 1 1 d . . . . .
P1 P 0.31740(5) 0.65043(4) 0.81196(3) 0.01496(10) Uani 1 1 d . . . . .
O1 O 0.71963(15) 0.58265(12) 0.67023(8) 0.0205(3) Uani 1 1 d . . . . .
O2 O 0.61062(16) 0.57989(12) 0.56539(8) 0.0237(3) Uani 1 1 d . . . . .
O3 O 0.55525(14) 0.53745(11) 0.80699(7) 0.0154(3) Uani 1 1 d . . . . .
O4 O 0.5283(3) 0.1116(3) 0.72220(18) 0.0926(11) Uani 1 1 d D U . . .
C1 C 0.7913(2) 0.35237(15) 0.86544(11) 0.0173(4) Uani 1 1 d . . . . .
H1 H 0.842453 0.334931 0.900613 0.021 Uiso 1 1 calc R U . . .
C2 C 0.7920(2) 0.29180(15) 0.81982(11) 0.0176(4) Uani 1 1 d . . . . .
C3 C 0.7263(2) 0.32541(16) 0.76423(11) 0.0190(4) Uani 1 1 d . . . . .
H3 H 0.731218 0.288409 0.729907 0.023 Uiso 1 1 calc R U . . .
C4 C 0.6545(2) 0.41073(16) 0.75752(11) 0.0163(4) Uani 1 1 d . . . . .
C5 C 0.45110(19) 0.66577(15) 0.85182(10) 0.0144(4) Uani 1 1 d . . . . .
C6 C 0.4494(2) 0.73712(15) 0.88993(11) 0.0173(4) Uani 1 1 d . . . . .
H6 H 0.384398 0.785502 0.887902 0.021 Uiso 1 1 calc R U . . .
C7 C 0.5408(2) 0.73893(16) 0.93087(11) 0.0174(4) Uani 1 1 d . . . . .
C8 C 0.62978(19) 0.66282(15) 0.93582(11) 0.0165(4) Uani 1 1 d . . . . .
H8 H 0.688910 0.660019 0.966272 0.020 Uiso 1 1 calc R U . . .
C9 C 0.72505(19) 0.50366(15) 0.91166(11) 0.0150(4) Uani 1 1 d . . . . .
C10 C 0.71790(19) 0.43867(15) 0.86161(10) 0.0145(4) Uani 1 1 d . . . . .
C11 C 0.64344(19) 0.46191(15) 0.81031(11) 0.0150(4) Uani 1 1 d . . . . .
C12 C 0.54990(19) 0.59712(15) 0.85280(10) 0.0133(4) Uani 1 1 d . . . . .
C13 C 0.63571(19) 0.59072(15) 0.89808(10) 0.0143(4) Uani 1 1 d . . . . .
C14 C 0.6836(2) 0.44707(16) 0.98543(11) 0.0204(4) Uani 1 1 d . . . . .
H14A H 0.689949 0.488074 1.017936 0.031 Uiso 1 1 calc R U . . .
H14B H 0.737430 0.388968 0.995239 0.031 Uiso 1 1 calc R U . . .
H14C H 0.596924 0.428155 0.990062 0.031 Uiso 1 1 calc R U . . .
C15 C 0.8601(2) 0.53570(17) 0.90447(13) 0.0219(5) Uani 1 1 d . . . . .
H15A H 0.865470 0.575190 0.938067 0.033 Uiso 1 1 calc R U . . .
H15B H 0.884896 0.573877 0.858013 0.033 Uiso 1 1 calc R U . . .
H15C H 0.915841 0.478445 0.912746 0.033 Uiso 1 1 calc R U . . .
C16 C 0.8647(2) 0.19450(16) 0.82610(13) 0.0225(5) Uani 1 1 d . . . . .
C17 C 0.7750(3) 0.11460(19) 0.82821(16) 0.0353(6) Uani 1 1 d . . . . .
H17A H 0.711713 0.109765 0.869087 0.053 Uiso 1 1 calc R U . . .
H17B H 0.821687 0.052722 0.829917 0.053 Uiso 1 1 calc R U . . .
H17C H 0.734249 0.130166 0.786968 0.053 Uiso 1 1 calc R U . . .
C18 C 0.9657(3) 0.1992(2) 0.76335(17) 0.0440(8) Uani 1 1 d . . . . .
H18A H 0.926694 0.214538 0.721485 0.066 Uiso 1 1 calc R U . . .
H18B H 1.010722 0.136540 0.766335 0.066 Uiso 1 1 calc R U . . .
H18C H 1.024156 0.249603 0.762073 0.066 Uiso 1 1 calc R U . . .
C19 C 0.9272(3) 0.1691(2) 0.89056(17) 0.0400(7) Uani 1 1 d . . . . .
H19A H 0.984298 0.220107 0.890001 0.060 Uiso 1 1 calc R U . . .
H19B H 0.974072 0.107365 0.891864 0.060 Uiso 1 1 calc R U . . .
H19C H 0.863372 0.163483 0.931269 0.060 Uiso 1 1 calc R U . . .
C20 C 0.5418(2) 0.81727(18) 0.97223(14) 0.0262(5) Uani 1 1 d . . . . .
C21 C 0.4375(3) 0.8938(2) 0.9584(2) 0.0484(9) Uani 1 1 d . . . . .
H21A H 0.448405 0.924632 0.909458 0.073 Uiso 1 1 calc R U . . .
H21B H 0.440922 0.942926 0.985471 0.073 Uiso 1 1 calc R U . . .
H21C H 0.356555 0.863037 0.971433 0.073 Uiso 1 1 calc R U . . .
C22 C 0.5240(3) 0.7708(2) 1.04919(15) 0.0386(7) Uani 1 1 d . . . . .
H22A H 0.444189 0.738280 1.062058 0.058 Uiso 1 1 calc R U . . .
H22B H 0.524409 0.821049 1.075634 0.058 Uiso 1 1 calc R U . . .
H22C H 0.592164 0.723387 1.059025 0.058 Uiso 1 1 calc R U . . .
C23 C 0.6684(3) 0.8659(2) 0.95247(18) 0.0399(7) Uani 1 1 d . . . . .
H23A H 0.735030 0.817382 0.963107 0.060 Uiso 1 1 calc R U . . .
H23B H 0.669835 0.916486 0.978482 0.060 Uiso 1 1 calc R U . . .
H23C H 0.681176 0.894758 0.903201 0.060 Uiso 1 1 calc R U . . .
C24 C 0.7389(2) 0.38757(18) 0.60163(11) 0.0213(5) Uani 1 1 d . . . . .
C25 C 0.8615(2) 0.4152(2) 0.57756(14) 0.0348(6) Uani 1 1 d . . . . .
H25 H 0.889388 0.473598 0.585044 0.042 Uiso 1 1 calc R U . . .
C26 C 0.9428(3) 0.3565(3) 0.54247(16) 0.0483(9) Uani 1 1 d . . . . .
H26 H 1.026360 0.375205 0.525751 0.058 Uiso 1 1 calc R U . . .
C27 C 0.9031(3) 0.2723(3) 0.53196(16) 0.0525(10) Uani 1 1 d . . . . .
H27 H 0.959125 0.232667 0.507902 0.063 Uiso 1 1 calc R U . . .
C28 C 0.7818(3) 0.2442(2) 0.55612(16) 0.0437(8) Uani 1 1 d . . . . .
H28 H 0.755051 0.185313 0.548848 0.052 Uiso 1 1 calc R U . . .
C29 C 0.6989(3) 0.3020(2) 0.59105(13) 0.0305(6) Uani 1 1 d . . . . .
H29 H 0.615420 0.282947 0.607499 0.037 Uiso 1 1 calc R U . . .
C30 C 0.4300(2) 0.44894(17) 0.65602(12) 0.0204(4) Uani 1 1 d . . . . .
C31 C 0.3768(2) 0.47156(18) 0.59574(12) 0.0243(5) Uani 1 1 d . . . . .
H31 H 0.424778 0.501115 0.553596 0.029 Uiso 1 1 calc R U . . .
C32 C 0.2532(2) 0.4506(2) 0.59781(13) 0.0296(5) Uani 1 1 d . . . . .
H32 H 0.216785 0.464794 0.556780 0.035 Uiso 1 1 calc R U . . .
C33 C 0.1824(2) 0.4089(2) 0.65964(14) 0.0310(6) Uani 1 1 d . . . . .
H33 H 0.097222 0.396055 0.660921 0.037 Uiso 1 1 calc R U . . .
C34 C 0.2357(2) 0.3858(2) 0.71953(13) 0.0300(6) Uani 1 1 d . . . . .
H34 H 0.187272 0.356949 0.761714 0.036 Uiso 1 1 calc R U . . .
C35 C 0.3604(2) 0.40526(18) 0.71754(12) 0.0247(5) Uani 1 1 d . . . . .
H35 H 0.397759 0.388615 0.758246 0.030 Uiso 1 1 calc R U . . .
C36 C 0.3601(2) 0.69135(16) 0.72053(11) 0.0181(4) Uani 1 1 d . . . . .
C37 C 0.2889(2) 0.66317(18) 0.67691(12) 0.0229(5) Uani 1 1 d . . . . .
H37 H 0.226862 0.616289 0.694794 0.027 Uiso 1 1 calc R U . . .
C38 C 0.3094(2) 0.7041(2) 0.60714(13) 0.0278(5) Uani 1 1 d . . . . .
H38 H 0.260203 0.686024 0.577277 0.033 Uiso 1 1 calc R U . . .
C39 C 0.4012(2) 0.77092(19) 0.58102(12) 0.0278(5) Uani 1 1 d . . . . .
H39 H 0.414360 0.799039 0.533279 0.033 Uiso 1 1 calc R U . . .
C40 C 0.4742(2) 0.79725(19) 0.62395(13) 0.0270(5) Uani 1 1 d . . . . .
H40 H 0.538226 0.842391 0.605491 0.032 Uiso 1 1 calc R U . . .
C41 C 0.4541(2) 0.75782(18) 0.69379(12) 0.0230(5) Uani 1 1 d . . . . .
H41 H 0.503974 0.775901 0.723328 0.028 Uiso 1 1 calc R U . . .
C42 C 0.20136(19) 0.74032(16) 0.83659(11) 0.0170(4) Uani 1 1 d . . . . .
C43 C 0.1998(2) 0.83606(18) 0.80047(13) 0.0262(5) Uani 1 1 d . . . . .
H43 H 0.259459 0.856153 0.760772 0.031 Uiso 1 1 calc R U . . .
C44 C 0.1113(3) 0.90231(19) 0.82234(15) 0.0338(6) Uani 1 1 d . . . . .
H44 H 0.110616 0.967571 0.797502 0.041 Uiso 1 1 calc R U . . .
C45 C 0.0240(2) 0.8736(2) 0.88027(16) 0.0347(6) Uani 1 1 d . . . . .
H45 H -0.036133 0.919218 0.895173 0.042 Uiso 1 1 calc R U . . .
C46 C 0.0245(2) 0.77838(19) 0.91640(14) 0.0306(6) Uani 1 1 d . . . . .
H46 H -0.034961 0.758706 0.956248 0.037 Uiso 1 1 calc R U . . .
C47 C 0.1117(2) 0.71196(17) 0.89437(12) 0.0219(5) Uani 1 1 d . . . . .
H47 H 0.110655 0.646426 0.918730 0.026 Uiso 1 1 calc R U . . .
C48 C 0.7402(2) 0.65982(17) 0.61594(11) 0.0195(4) Uani 1 1 d . . . . .
C49 C 0.6813(2) 0.65716(17) 0.55945(11) 0.0200(4) Uani 1 1 d . . . . .
C50 C 0.6927(2) 0.73295(17) 0.50226(12) 0.0226(5) Uani 1 1 d . . . . .
H50 H 0.654706 0.730028 0.463504 0.027 Uiso 1 1 calc R U . . .
C51 C 0.7604(2) 0.81359(18) 0.50205(12) 0.0236(5) Uani 1 1 d . . . . .
C52 C 0.8190(2) 0.81378(17) 0.55854(12) 0.0237(5) Uani 1 1 d . . . . .
H52 H 0.865344 0.868600 0.557988 0.028 Uiso 1 1 calc R U . . .
C53 C 0.8132(2) 0.73706(17) 0.61639(12) 0.0213(5) Uani 1 1 d . . . . .
C54 C 0.8813(2) 0.73716(18) 0.67766(12) 0.0247(5) Uani 1 1 d . . . . .
C55 C 0.9610(2) 0.6431(2) 0.69292(15) 0.0329(6) Uani 1 1 d . . . . .
H55A H 0.906568 0.587500 0.705859 0.049 Uiso 1 1 calc R U . . .
H55B H 1.006872 0.644581 0.730744 0.049 Uiso 1 1 calc R U . . .
H55C H 1.020165 0.637476 0.651882 0.049 Uiso 1 1 calc R U . . .
C56 C 0.7857(2) 0.7443(2) 0.74126(13) 0.0299(6) Uani 1 1 d . . . . .
H56A H 0.737242 0.805384 0.732265 0.045 Uiso 1 1 calc R U . . .
H56B H 0.829443 0.742061 0.780516 0.045 Uiso 1 1 calc R U . . .
H56C H 0.729446 0.689949 0.751600 0.045 Uiso 1 1 calc R U . . .
C57 C 0.9685(3) 0.8223(2) 0.66315(15) 0.0354(6) Uani 1 1 d . . . . .
H57A H 1.030803 0.818550 0.622948 0.053 Uiso 1 1 calc R U . . .
H57B H 1.010604 0.819546 0.703063 0.053 Uiso 1 1 calc R U . . .
H57C H 0.919791 0.883303 0.654146 0.053 Uiso 1 1 calc R U . . .
C58 C 0.7658(3) 0.89963(19) 0.44024(13) 0.0302(6) Uani 1 1 d . . . . .
C59 C 0.6326(3) 0.9351(3) 0.42918(19) 0.0523(9) Uani 1 1 d . . . . .
H59A H 0.588887 0.883455 0.418200 0.078 Uiso 1 1 calc R U . . .
H59B H 0.635698 0.991853 0.391148 0.078 Uiso 1 1 calc R U . . .
H59C H 0.588072 0.952679 0.471127 0.078 Uiso 1 1 calc R U . . .
C60 C 0.8306(4) 0.8677(3) 0.37612(17) 0.0663(12) Uani 1 1 d . . . . .
H60A H 0.917218 0.847865 0.381568 0.100 Uiso 1 1 calc R U . . .
H60B H 0.829312 0.921644 0.336341 0.100 Uiso 1 1 calc R U . . .
H60C H 0.787153 0.813091 0.369061 0.100 Uiso 1 1 calc R U . . .
C61 C 0.8318(4) 0.9849(3) 0.4514(2) 0.0700(13) Uani 1 1 d . . . . .
H61A H 0.792282 1.002907 0.494142 0.105 Uiso 1 1 calc R U . . .
H61B H 0.825945 1.040057 0.412807 0.105 Uiso 1 1 calc R U . . .
H61C H 0.919759 0.966891 0.454264 0.105 Uiso 1 1 calc R U . . .
C62 C 0.6551(5) 0.0149(4) 0.6581(3) 0.0857(15) Uani 1 1 d . . . . .
H62A H 0.617762 0.047513 0.617557 0.129 Uiso 1 1 calc R U . . .
H62B H 0.678931 -0.051973 0.654806 0.129 Uiso 1 1 calc R U . . .
H62C H 0.729198 0.049186 0.660503 0.129 Uiso 1 1 calc R U . . .
C63 C 0.5643(5) 0.0151(3) 0.7200(2) 0.0745(13) Uani 1 1 d . . . . .
H63A H 0.490583 -0.021786 0.718930 0.089 Uiso 1 1 calc R U . . .
H63B H 0.602096 -0.015900 0.761333 0.089 Uiso 1 1 calc R U . . .
C64 C 0.4618(6) 0.1417(5) 0.7829(4) 0.0357(19) Uani 0.434(9) 1 d D . P A 1
H64A H 0.470752 0.211987 0.778618 0.043 Uiso 0.434(9) 1 calc R U P A 1
H64B H 0.496477 0.106538 0.824279 0.043 Uiso 0.434(9) 1 calc R U P A 1
C64A C 0.4283(9) 0.0729(8) 0.7855(4) 0.089(2) Uani 0.566(9) 1 d D U P A 2
H64C H 0.381779 0.021639 0.774926 0.107 Uiso 0.566(9) 1 calc R U P A 2
H64D H 0.471335 0.043317 0.825161 0.107 Uiso 0.566(9) 1 calc R U P A 2
C65 C 0.3273(8) 0.1196(10) 0.7889(7) 0.062(3) Uani 0.434(9) 1 d D . P A 1
H65A H 0.290127 0.162964 0.751885 0.093 Uiso 0.434(9) 1 calc R U P A 1
H65B H 0.283334 0.129038 0.833391 0.093 Uiso 0.434(9) 1 calc R U P A 1
H65C H 0.320352 0.052288 0.785510 0.093 Uiso 0.434(9) 1 calc R U P A 1
C65A C 0.3406(12) 0.1472(10) 0.8045(7) 0.112(4) Uani 0.566(9) 1 d D U P A 2
H65D H 0.287308 0.168900 0.768741 0.168 Uiso 0.566(9) 1 calc R U P A 2
H65E H 0.386270 0.202057 0.809323 0.168 Uiso 0.566(9) 1 calc R U P A 2
H65F H 0.288800 0.120818 0.848182 0.168 Uiso 0.566(9) 1 calc R U P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 Cl1 2.2949(6) . ?
Au1 P1 2.2332(6) . ?
Sb1 O1 2.0043(16) . ?
Sb1 O2 2.0619(16) . ?
Sb1 C4 2.162(2) . ?
Sb1 C24 2.106(2) . ?
Sb1 C30 2.115(2) . ?
P1 C5 1.814(2) . ?
P1 C36 1.803(2) . ?
P1 C42 1.824(2) . ?
O1 C48 1.369(3) . ?
O2 C49 1.351(3) . ?
O3 C11 1.386(2) . ?
O3 C12 1.376(2) . ?
O4 C63 1.406(6) . ?
O4 C64 1.454(7) . ?
O4 C64A 1.563(10) . ?
C1 H1 0.9500 . ?
C1 C2 1.389(3) . ?
C1 C10 1.410(3) . ?
C2 C3 1.402(3) . ?
C2 C16 1.534(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.387(3) . ?
C4 C11 1.401(3) . ?
C5 C6 1.396(3) . ?
C5 C12 1.400(3) . ?
C6 H6 0.9500 . ?
C6 C7 1.394(3) . ?
C7 C8 1.397(3) . ?
C7 C20 1.530(3) . ?
C8 H8 0.9500 . ?
C8 C13 1.395(3) . ?
C9 C10 1.523(3) . ?
C9 C13 1.522(3) . ?
C9 C14 1.540(3) . ?
C9 C15 1.539(3) . ?
C10 C11 1.384(3) . ?
C12 C13 1.391(3) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.531(3) . ?
C16 C18 1.531(4) . ?
C16 C19 1.524(4) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C21 1.530(4) . ?
C20 C22 1.535(4) . ?
C20 C23 1.534(4) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.394(4) . ?
C24 C29 1.384(4) . ?
C25 H25 0.9500 . ?
C25 C26 1.392(4) . ?
C26 H26 0.9500 . ?
C26 C27 1.366(5) . ?
C27 H27 0.9500 . ?
C27 C28 1.382(5) . ?
C28 H28 0.9500 . ?
C28 C29 1.392(4) . ?
C29 H29 0.9500 . ?
C30 C31 1.394(3) . ?
C30 C35 1.387(3) . ?
C31 H31 0.9500 . ?
C31 C32 1.386(3) . ?
C32 H32 0.9500 . ?
C32 C33 1.389(4) . ?
C33 H33 0.9500 . ?
C33 C34 1.387(4) . ?
C34 H34 0.9500 . ?
C34 C35 1.393(3) . ?
C35 H35 0.9500 . ?
C36 C37 1.393(3) . ?
C36 C41 1.396(3) . ?
C37 H37 0.9500 . ?
C37 C38 1.388(3) . ?
C38 H38 0.9500 . ?
C38 C39 1.381(4) . ?
C39 H39 0.9500 . ?
C39 C40 1.385(4) . ?
C40 H40 0.9500 . ?
C40 C41 1.385(3) . ?
C41 H41 0.9500 . ?
C42 C43 1.392(3) . ?
C42 C47 1.399(3) . ?
C43 H43 0.9500 . ?
C43 C44 1.389(4) . ?
C44 H44 0.9500 . ?
C44 C45 1.387(4) . ?
C45 H45 0.9500 . ?
C45 C46 1.385(4) . ?
C46 H46 0.9500 . ?
C46 C47 1.384(3) . ?
C47 H47 0.9500 . ?
C48 C49 1.401(3) . ?
C48 C53 1.395(3) . ?
C49 C50 1.388(3) . ?
C50 H50 0.9500 . ?
C50 C51 1.398(3) . ?
C51 C52 1.391(4) . ?
C51 C58 1.537(3) . ?
C52 H52 0.9500 . ?
C52 C53 1.406(3) . ?
C53 C54 1.538(3) . ?
C54 C55 1.540(4) . ?
C54 C56 1.536(3) . ?
C54 C57 1.531(3) . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 C59 1.533(4) . ?
C58 C60 1.518(4) . ?
C58 C61 1.520(5) . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C62 C63 1.464(7) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C64 C65 1.494(10) . ?
C64A H64C 0.9900 . ?
C64A H64D 0.9900 . ?
C64A C65A 1.446(12) . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C65A H65D 0.9800 . ?
C65A H65E 0.9800 . ?
C65A H65F 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
P1 Au1 Cl1 173.48(2) . . ?
O1 Sb1 O2 79.17(6) . . ?
O1 Sb1 C4 81.96(7) . . ?
O1 Sb1 C24 108.43(8) . . ?
O1 Sb1 C30 138.84(8) . . ?
O2 Sb1 C4 160.88(7) . . ?
O2 Sb1 C24 91.05(8) . . ?
O2 Sb1 C30 88.44(8) . . ?
C24 Sb1 C4 97.85(8) . . ?
C24 Sb1 C30 110.92(9) . . ?
C30 Sb1 C4 103.94(8) . . ?
C5 P1 Au1 110.64(7) . . ?
C5 P1 C42 104.82(10) . . ?
C36 P1 Au1 119.47(8) . . ?
C36 P1 C5 107.33(10) . . ?
C36 P1 C42 104.49(10) . . ?
C42 P1 Au1 109.00(7) . . ?
C48 O1 Sb1 115.21(14) . . ?
C49 O2 Sb1 113.36(14) . . ?
C12 O3 C11 118.41(16) . . ?
C63 O4 C64 123.8(5) . . ?
C63 O4 C64A 88.5(5) . . ?
C2 C1 H1 118.7 . . ?
C2 C1 C10 122.6(2) . . ?
C10 C1 H1 118.7 . . ?
C1 C2 C3 116.8(2) . . ?
C1 C2 C16 123.2(2) . . ?
C3 C2 C16 119.9(2) . . ?
C2 C3 H3 118.8 . . ?
C4 C3 C2 122.4(2) . . ?
C4 C3 H3 118.8 . . ?
C3 C4 Sb1 116.42(15) . . ?
C3 C4 C11 118.0(2) . . ?
C11 C4 Sb1 122.52(16) . . ?
C6 C5 P1 120.82(16) . . ?
C6 C5 C12 118.95(19) . . ?
C12 C5 P1 119.61(16) . . ?
C5 C6 H6 119.3 . . ?
C7 C6 C5 121.5(2) . . ?
C7 C6 H6 119.3 . . ?
C6 C7 C8 117.2(2) . . ?
C6 C7 C20 122.3(2) . . ?
C8 C7 C20 120.4(2) . . ?
C7 C8 H8 118.5 . . ?
C13 C8 C7 123.0(2) . . ?
C13 C8 H8 118.5 . . ?
C10 C9 C14 109.16(17) . . ?
C10 C9 C15 109.44(17) . . ?
C13 C9 C10 109.97(17) . . ?
C13 C9 C14 107.40(17) . . ?
C13 C9 C15 111.05(17) . . ?
C15 C9 C14 109.77(18) . . ?
C1 C10 C9 119.97(19) . . ?
C11 C10 C1 117.52(19) . . ?
C11 C10 C9 122.50(19) . . ?
O3 C11 C4 115.84(18) . . ?
C10 C11 O3 122.65(18) . . ?
C10 C11 C4 121.5(2) . . ?
O3 C12 C5 115.88(18) . . ?
O3 C12 C13 123.13(18) . . ?
C13 C12 C5 120.98(19) . . ?
C8 C13 C9 120.40(19) . . ?
C12 C13 C8 117.63(19) . . ?
C12 C13 C9 121.70(19) . . ?
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 . . ?
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 . . ?
C17 C16 C2 109.1(2) . . ?
C17 C16 C18 109.0(2) . . ?
C18 C16 C2 109.1(2) . . ?
C19 C16 C2 112.3(2) . . ?
C19 C16 C17 108.7(2) . . ?
C19 C16 C18 108.5(2) . . ?
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 . . ?
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 . . ?
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 . . ?
C7 C20 C22 109.5(2) . . ?
C7 C20 C23 108.8(2) . . ?
C21 C20 C7 111.5(2) . . ?
C21 C20 C22 108.7(2) . . ?
C21 C20 C23 109.4(2) . . ?
C23 C20 C22 108.9(2) . . ?
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 . . ?
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 . . ?
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 . . ?
C25 C24 Sb1 118.4(2) . . ?
C29 C24 Sb1 121.52(18) . . ?
C29 C24 C25 120.1(2) . . ?
C24 C25 H25 120.2 . . ?
C26 C25 C24 119.5(3) . . ?
C26 C25 H25 120.2 . . ?
C25 C26 H26 119.8 . . ?
C27 C26 C25 120.3(3) . . ?
C27 C26 H26 119.8 . . ?
C26 C27 H27 119.8 . . ?
C26 C27 C28 120.4(3) . . ?
C28 C27 H27 119.8 . . ?
C27 C28 H28 119.9 . . ?
C27 C28 C29 120.2(3) . . ?
C29 C28 H28 119.9 . . ?
C24 C29 C28 119.5(3) . . ?
C24 C29 H29 120.3 . . ?
C28 C29 H29 120.3 . . ?
C31 C30 Sb1 120.72(17) . . ?
C35 C30 Sb1 118.86(17) . . ?
C35 C30 C31 120.4(2) . . ?
C30 C31 H31 120.3 . . ?
C32 C31 C30 119.5(2) . . ?
C32 C31 H31 120.3 . . ?
C31 C32 H32 119.9 . . ?
C31 C32 C33 120.3(2) . . ?
C33 C32 H32 119.9 . . ?
C32 C33 H33 119.9 . . ?
C34 C33 C32 120.3(2) . . ?
C34 C33 H33 119.9 . . ?
C33 C34 H34 120.1 . . ?
C33 C34 C35 119.7(2) . . ?
C35 C34 H34 120.1 . . ?
C30 C35 C34 119.9(2) . . ?
C30 C35 H35 120.1 . . ?
C34 C35 H35 120.1 . . ?
C37 C36 P1 118.65(17) . . ?
C37 C36 C41 120.1(2) . . ?
C41 C36 P1 120.94(18) . . ?
C36 C37 H37 120.2 . . ?
C38 C37 C36 119.5(2) . . ?
C38 C37 H37 120.2 . . ?
C37 C38 H38 119.9 . . ?
C39 C38 C37 120.2(2) . . ?
C39 C38 H38 119.9 . . ?
C38 C39 H39 119.8 . . ?
C38 C39 C40 120.4(2) . . ?
C40 C39 H39 119.8 . . ?
C39 C40 H40 120.0 . . ?
C39 C40 C41 120.1(2) . . ?
C41 C40 H40 120.0 . . ?
C36 C41 H41 120.2 . . ?
C40 C41 C36 119.7(2) . . ?
C40 C41 H41 120.2 . . ?
C43 C42 P1 122.39(17) . . ?
C43 C42 C47 119.0(2) . . ?
C47 C42 P1 118.60(17) . . ?
C42 C43 H43 119.9 . . ?
C44 C43 C42 120.2(2) . . ?
C44 C43 H43 119.9 . . ?
C43 C44 H44 119.9 . . ?
C45 C44 C43 120.3(2) . . ?
C45 C44 H44 119.9 . . ?
C44 C45 H45 120.0 . . ?
C46 C45 C44 120.0(2) . . ?
C46 C45 H45 120.0 . . ?
C45 C46 H46 120.0 . . ?
C47 C46 C45 119.9(2) . . ?
C47 C46 H46 120.0 . . ?
C42 C47 H47 119.7 . . ?
C46 C47 C42 120.7(2) . . ?
C46 C47 H47 119.7 . . ?
O1 C48 C49 115.4(2) . . ?
O1 C48 C53 122.9(2) . . ?
C53 C48 C49 121.6(2) . . ?
O2 C49 C48 116.48(19) . . ?
O2 C49 C50 123.0(2) . . ?
C50 C49 C48 120.4(2) . . ?
C49 C50 H50 120.2 . . ?
C49 C50 C51 119.6(2) . . ?
C51 C50 H50 120.2 . . ?
C50 C51 C58 119.1(2) . . ?
C52 C51 C50 118.7(2) . . ?
C52 C51 C58 122.2(2) . . ?
C51 C52 H52 118.3 . . ?
C51 C52 C53 123.4(2) . . ?
C53 C52 H52 118.3 . . ?
C48 C53 C52 116.2(2) . . ?
C48 C53 C54 121.0(2) . . ?
C52 C53 C54 122.8(2) . . ?
C53 C54 C55 109.7(2) . . ?
C56 C54 C53 109.8(2) . . ?
C56 C54 C55 109.4(2) . . ?
C57 C54 C53 111.9(2) . . ?
C57 C54 C55 107.7(2) . . ?
C57 C54 C56 108.3(2) . . ?
C54 C55 H55A 109.5 . . ?
C54 C55 H55B 109.5 . . ?
C54 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C54 C56 H56A 109.5 . . ?
C54 C56 H56B 109.5 . . ?
C54 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C54 C57 H57A 109.5 . . ?
C54 C57 H57B 109.5 . . ?
C54 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C59 C58 C51 109.3(2) . . ?
C60 C58 C51 109.7(2) . . ?
C60 C58 C59 108.6(3) . . ?
C60 C58 C61 109.9(3) . . ?
C61 C58 C51 112.3(2) . . ?
C61 C58 C59 107.0(3) . . ?
C58 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
C58 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C58 C60 H60A 109.5 . . ?
C58 C60 H60B 109.5 . . ?
C58 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C58 C61 H61A 109.5 . . ?
C58 C61 H61B 109.5 . . ?
C58 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C63 C62 H62A 109.5 . . ?
C63 C62 H62B 109.5 . . ?
C63 C62 H62C 109.5 . . ?
O4 C63 C62 108.3(4) . . ?
O4 C63 H63A 110.0 . . ?
O4 C63 H63B 110.0 . . ?
C62 C63 H63A 110.0 . . ?
C62 C63 H63B 110.0 . . ?
H63A C63 H63B 108.4 . . ?
O4 C64 H64A 110.1 . . ?
O4 C64 H64B 110.1 . . ?
O4 C64 C65 108.1(6) . . ?
H64A C64 H64B 108.4 . . ?
C65 C64 H64A 110.1 . . ?
C65 C64 H64B 110.1 . . ?
O4 C64A H64C 108.9 . . ?
O4 C64A H64D 108.9 . . ?
H64C C64A H64D 107.7 . . ?
C65A C64A O4 113.5(10) . . ?
C65A C64A H64C 108.9 . . ?
C65A C64A H64D 108.9 . . ?
C64 C65 H65A 109.5 . . ?
C64 C65 H65B 109.5 . . ?
C64 C65 H65C 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C64A C65A H65D 109.5 . . ?
C64A C65A H65E 109.5 . . ?
C64A C65A H65F 109.5 . . ?
H65D C65A H65E 109.5 . . ?
H65D C65A H65F 109.5 . . ?
H65E C65A H65F 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
Au1 P1 C5 C6 -118.86(16) . . . . ?
Au1 P1 C5 C12 51.99(17) . . . . ?
Au1 P1 C36 C37 35.5(2) . . . . ?
Au1 P1 C36 C41 -151.05(17) . . . . ?
Au1 P1 C42 C43 -156.97(18) . . . . ?
Au1 P1 C42 C47 23.8(2) . . . . ?
Sb1 O1 C48 C49 4.0(2) . . . . ?
Sb1 O1 C48 C53 -176.93(17) . . . . ?
Sb1 O2 C49 C48 -4.8(3) . . . . ?
Sb1 O2 C49 C50 177.82(18) . . . . ?
Sb1 C4 C11 O3 30.7(3) . . . . ?
Sb1 C4 C11 C10 -148.31(17) . . . . ?
Sb1 C24 C25 C26 179.7(2) . . . . ?
Sb1 C24 C29 C28 -179.3(2) . . . . ?
Sb1 C30 C31 C32 179.11(19) . . . . ?
Sb1 C30 C35 C34 179.8(2) . . . . ?
P1 C5 C6 C7 168.28(16) . . . . ?
P1 C5 C12 O3 17.7(2) . . . . ?
P1 C5 C12 C13 -161.96(16) . . . . ?
P1 C36 C37 C38 171.38(19) . . . . ?
P1 C36 C41 C40 -171.87(19) . . . . ?
P1 C42 C43 C44 -178.4(2) . . . . ?
P1 C42 C47 C46 177.8(2) . . . . ?
O1 C48 C49 O2 0.7(3) . . . . ?
O1 C48 C49 C50 178.1(2) . . . . ?
O1 C48 C53 C52 -176.1(2) . . . . ?
O1 C48 C53 C54 3.3(3) . . . . ?
O2 C49 C50 C51 175.4(2) . . . . ?
O3 C12 C13 C8 172.09(18) . . . . ?
O3 C12 C13 C9 -13.7(3) . . . . ?
C1 C2 C3 C4 -5.6(3) . . . . ?
C1 C2 C16 C17 124.9(2) . . . . ?
C1 C2 C16 C18 -116.0(3) . . . . ?
C1 C2 C16 C19 4.3(3) . . . . ?
C1 C10 C11 O3 171.15(18) . . . . ?
C1 C10 C11 C4 -9.9(3) . . . . ?
C2 C1 C10 C9 -177.8(2) . . . . ?
C2 C1 C10 C11 0.6(3) . . . . ?
C2 C3 C4 Sb1 157.65(17) . . . . ?
C2 C3 C4 C11 -3.1(3) . . . . ?
C3 C2 C16 C17 -58.0(3) . . . . ?
C3 C2 C16 C18 61.0(3) . . . . ?
C3 C2 C16 C19 -178.6(2) . . . . ?
C3 C4 C11 O3 -169.83(18) . . . . ?
C3 C4 C11 C10 11.2(3) . . . . ?
C5 P1 C36 C37 162.36(18) . . . . ?
C5 P1 C36 C41 -24.1(2) . . . . ?
C5 P1 C42 C43 84.5(2) . . . . ?
C5 P1 C42 C47 -94.70(19) . . . . ?
C5 C6 C7 C8 -4.1(3) . . . . ?
C5 C6 C7 C20 179.1(2) . . . . ?
C5 C12 C13 C8 -8.3(3) . . . . ?
C5 C12 C13 C9 165.86(19) . . . . ?
C6 C5 C12 O3 -171.30(18) . . . . ?
C6 C5 C12 C13 9.1(3) . . . . ?
C6 C7 C8 C13 4.9(3) . . . . ?
C6 C7 C20 C21 -4.0(3) . . . . ?
C6 C7 C20 C22 116.4(2) . . . . ?
C6 C7 C20 C23 -124.7(2) . . . . ?
C7 C8 C13 C9 -173.02(19) . . . . ?
C7 C8 C13 C12 1.2(3) . . . . ?
C8 C7 C20 C21 179.3(2) . . . . ?
C8 C7 C20 C22 -60.3(3) . . . . ?
C8 C7 C20 C23 58.6(3) . . . . ?
C9 C10 C11 O3 -10.5(3) . . . . ?
C9 C10 C11 C4 168.46(19) . . . . ?
C10 C1 C2 C3 6.9(3) . . . . ?
C10 C1 C2 C16 -175.9(2) . . . . ?
C10 C9 C13 C8 -177.27(18) . . . . ?
C10 C9 C13 C12 8.7(3) . . . . ?
C11 O3 C12 C5 -173.65(17) . . . . ?
C11 O3 C12 C13 6.0(3) . . . . ?
C12 O3 C11 C4 -172.75(18) . . . . ?
C12 O3 C11 C10 6.2(3) . . . . ?
C12 C5 C6 C7 -2.6(3) . . . . ?
C13 C9 C10 C1 -178.88(18) . . . . ?
C13 C9 C10 C11 2.8(3) . . . . ?
C14 C9 C10 C1 -61.3(2) . . . . ?
C14 C9 C10 C11 120.4(2) . . . . ?
C14 C9 C13 C8 64.1(2) . . . . ?
C14 C9 C13 C12 -110.0(2) . . . . ?
C15 C9 C10 C1 58.9(3) . . . . ?
C15 C9 C10 C11 -119.5(2) . . . . ?
C15 C9 C13 C8 -56.0(3) . . . . ?
C15 C9 C13 C12 130.0(2) . . . . ?
C16 C2 C3 C4 177.1(2) . . . . ?
C20 C7 C8 C13 -178.3(2) . . . . ?
C24 C25 C26 C27 -0.3(4) . . . . ?
C25 C24 C29 C28 -0.2(4) . . . . ?
C25 C26 C27 C28 -0.1(5) . . . . ?
C26 C27 C28 C29 0.4(5) . . . . ?
C27 C28 C29 C24 -0.3(4) . . . . ?
C29 C24 C25 C26 0.5(4) . . . . ?
C30 C31 C32 C33 1.1(4) . . . . ?
C31 C30 C35 C34 -1.5(4) . . . . ?
C31 C32 C33 C34 -1.5(4) . . . . ?
C32 C33 C34 C35 0.4(4) . . . . ?
C33 C34 C35 C30 1.1(4) . . . . ?
C35 C30 C31 C32 0.4(4) . . . . ?
C36 P1 C5 C6 109.21(18) . . . . ?
C36 P1 C5 C12 -79.94(18) . . . . ?
C36 P1 C42 C43 -28.2(2) . . . . ?
C36 P1 C42 C47 152.56(19) . . . . ?
C36 C37 C38 C39 1.2(4) . . . . ?
C37 C36 C41 C40 1.5(4) . . . . ?
C37 C38 C39 C40 0.5(4) . . . . ?
C38 C39 C40 C41 -1.2(4) . . . . ?
C39 C40 C41 C36 0.1(4) . . . . ?
C41 C36 C37 C38 -2.2(4) . . . . ?
C42 P1 C5 C6 -1.5(2) . . . . ?
C42 P1 C5 C12 169.36(16) . . . . ?
C42 P1 C36 C37 -86.7(2) . . . . ?
C42 P1 C36 C41 86.8(2) . . . . ?
C42 C43 C44 C45 0.0(4) . . . . ?
C43 C42 C47 C46 -1.5(4) . . . . ?
C43 C44 C45 C46 -0.3(5) . . . . ?
C44 C45 C46 C47 -0.4(5) . . . . ?
C45 C46 C47 C42 1.3(4) . . . . ?
C47 C42 C43 C44 0.8(4) . . . . ?
C48 C49 C50 C51 -1.9(3) . . . . ?
C48 C53 C54 C55 53.2(3) . . . . ?
C48 C53 C54 C56 -67.0(3) . . . . ?
C48 C53 C54 C57 172.7(2) . . . . ?
C49 C48 C53 C52 3.0(3) . . . . ?
C49 C48 C53 C54 -177.7(2) . . . . ?
C49 C50 C51 C52 2.5(3) . . . . ?
C49 C50 C51 C58 -176.4(2) . . . . ?
C50 C51 C52 C53 -0.4(4) . . . . ?
C50 C51 C58 C59 55.6(3) . . . . ?
C50 C51 C58 C60 -63.3(3) . . . . ?
C50 C51 C58 C61 174.2(3) . . . . ?
C51 C52 C53 C48 -2.3(3) . . . . ?
C51 C52 C53 C54 178.4(2) . . . . ?
C52 C51 C58 C59 -123.2(3) . . . . ?
C52 C51 C58 C60 117.9(3) . . . . ?
C52 C51 C58 C61 -4.7(4) . . . . ?
C52 C53 C54 C55 -127.5(2) . . . . ?
C52 C53 C54 C56 112.3(3) . . . . ?
C52 C53 C54 C57 -8.0(3) . . . . ?
C53 C48 C49 O2 -178.5(2) . . . . ?
C53 C48 C49 C50 -1.0(4) . . . . ?
C58 C51 C52 C53 178.5(2) . . . . ?
C63 O4 C64 C65 -78.8(9) . . . . ?
C63 O4 C64A C65A -169.3(8) . . . . ?
C64 O4 C63 C62 -165.7(5) . . . . ?
C64A O4 C63 C62 173.1(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 2299053'
loop_
_audit_author_name
_audit_author_address
'Benyu Zhou'
;Texas A and M University
United States of America
;
_audit_update_record             
;
2023-10-03 deposited with the CCDC.	2023-11-16 downloaded from the CCDC.
;
_audit_creation_date             2022-08-17
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C61 H68 O3 P Sb'
_chemical_formula_sum            'C61 H68 O3 P Sb'
_chemical_formula_weight         1001.87
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'

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

_cell_length_a                   10.5770(6)
_cell_length_b                   15.3832(9)
_cell_length_c                   16.6017(9)
_cell_angle_alpha                91.680(2)
_cell_angle_beta                 101.133(2)
_cell_angle_gamma                96.861(3)
_cell_volume                     2627.6(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9677
_cell_measurement_temperature    110.00
_cell_measurement_theta_max      29.580
_cell_measurement_theta_min      2.241
_shelx_estimated_absorpt_T_max   0.916
_shelx_estimated_absorpt_T_min   0.893
_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_absorpt_special_details   ?
_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_density_meas      ?
_exptl_crystal_density_method    ?
_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
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_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_ambient_temperature      110.00
_diffrn_detector_area_resol_mean ?
_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_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12511
_reflns_number_total             14122
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_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)'
_refine_diff_density_max         1.045
_refine_diff_density_min         -0.709
_refine_diff_density_rms         0.069
_refine_ls_extinction_coef       .
_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_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0276
_refine_ls_restrained_S_all      1.047
_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
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.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)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
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 . . .


_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
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_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_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) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
