#------------------------------------------------------------------------------
#$Date: 2022-04-03 22:24:20 +0300 (Sun, 03 Apr 2022) $
#$Revision: 274244 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/93/4519388.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4519388
loop_
_publ_author_name
'Navarro, Miquel'
'Alférez, Macarena G.'
'de Sousa, Morgane'
'Miranda-Pizarro, Juan'
'Campos, Jesús'
_publ_section_title
;
 Dicoordinate Au(I)--Ethylene Complexes as Hydroamination Catalysts
;
_journal_issue                   7
_journal_name_full               'ACS Catalysis'
_journal_page_first              4227
_journal_page_last               4241
_journal_paper_doi               10.1021/acscatal.1c05823
_journal_volume                  12
_journal_year                    2022
_chemical_formula_sum            'C126 H159 Au2 F12 P2 Sb2'
_chemical_formula_weight         2600.90
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 99.200(18)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.714(5)
_cell_length_b                   51.58(2)
_cell_length_c                   18.755(9)
_cell_measurement_reflns_used    8548
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      26.294
_cell_measurement_theta_min      2.200
_cell_volume                     13096(9)
_computing_cell_refinement       'Bruker APEX3'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker APEX3'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker D8Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1513
_diffrn_reflns_av_unetI/netI     0.0584
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       61
_diffrn_reflns_limit_k_min       -61
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            228750
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.250
_diffrn_reflns_theta_min         1.925
_diffrn_source                   'IuS 3.0 Microfocus Source'
_exptl_absorpt_coefficient_mu    2.725
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5284
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1536 before and 0.0727 after correction.
The Ratio of minimum to maximum transmission is 0.7089.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.319
_exptl_crystal_description       plate
_exptl_crystal_F_000             5252
_exptl_crystal_size_max          0.170
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.050
_refine_diff_density_max         2.178
_refine_diff_density_min         -2.432
_refine_diff_density_rms         0.214
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1410
_refine_ls_number_reflns         23489
_refine_ls_number_restraints     279
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.1146
_refine_ls_R_factor_gt           0.0964
_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)+(0.0720P)²+357.8098P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2154
_refine_ls_wR_factor_ref         0.2302
_reflns_Friedel_coverage         0.000
_reflns_number_gt                19374
_reflns_number_total             23489
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            cs1c05823_si_008.cif
_cod_data_source_block           jcm01722a
_cod_original_cell_volume        13096(10)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4519388
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.654
_shelx_estimated_absorpt_t_max   0.876
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'
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 0.61951(4) 0.66674(2) 0.97048(3) 0.03830(14) Uani 1 1 d . U . . .
P1 P 0.5596(2) 0.62641(6) 0.99203(15) 0.0279(6) Uani 1 1 d . . . . .
C1 C 0.6364(9) 0.5988(2) 0.9697(6) 0.036(3) Uani 1 1 d . . . . .
C2 C 0.5860(10) 0.5770(2) 0.9431(7) 0.039(3) Uani 1 1 d . . . . .
H2 H 0.5163 0.5768 0.9407 0.047 Uiso 1 1 calc R U . . .
C3 C 0.6324(10) 0.5546(2) 0.9188(7) 0.043(3) Uani 1 1 d . . . . .
C4 C 0.7368(11) 0.5562(3) 0.9236(9) 0.056(4) Uani 1 1 d . . . . .
H4 H 0.7726 0.5419 0.9091 0.068 Uiso 1 1 calc R U . . .
C5 C 0.7870(10) 0.5789(3) 0.9496(8) 0.046(3) Uani 1 1 d . . . . .
H5 H 0.8563 0.5796 0.9502 0.056 Uiso 1 1 calc R U . . .
C6 C 0.7408(9) 0.6007(2) 0.9750(6) 0.038(3) Uani 1 1 d . . . . .
C7 C 0.8036(8) 0.6233(2) 1.0033(7) 0.036(3) Uani 1 1 d . . . . .
C8 C 0.7970(10) 0.6353(3) 1.0682(7) 0.048(3) Uani 1 1 d . . . . .
H8 H 0.7466 0.6303 1.0948 0.058 Uiso 1 1 calc R U . . .
C9 C 0.8649(10) 0.6549(3) 1.0955(7) 0.045(3) Uani 1 1 d . . . . .
H9 H 0.8596 0.6627 1.1405 0.054 Uiso 1 1 calc R U . . .
C10 C 0.9414(9) 0.6632(3) 1.0570(7) 0.041(3) Uani 1 1 d . . . . .
C11 C 0.9420(10) 0.6510(3) 0.9909(8) 0.049(3) Uani 1 1 d . . . . .
H11 H 0.9907 0.6563 0.9631 0.058 Uiso 1 1 calc R U . . .
C12 C 0.8770(10) 0.6318(3) 0.9625(7) 0.047(3) Uani 1 1 d . . . . .
H12 H 0.8811 0.6243 0.9168 0.056 Uiso 1 1 calc R U . . .
C13 C 0.5745(13) 0.5306(3) 0.8859(9) 0.063(4) Uani 1 1 d . . . . .
C14 C 0.5782(16) 0.5286(4) 0.8048(10) 0.086(6) Uani 1 1 d . . . . .
H14A H 0.5669 0.5457 0.7825 0.130 Uiso 1 1 calc R U . . .
H14B H 0.5270 0.5165 0.7824 0.130 Uiso 1 1 calc R U . . .
H14C H 0.6433 0.5221 0.7977 0.130 Uiso 1 1 calc R U . . .
C15 C 0.4677(14) 0.5310(4) 0.8985(14) 0.098(8) Uani 1 1 d . . . . .
H15A H 0.4650 0.5268 0.9491 0.147 Uiso 1 1 calc R U . . .
H15B H 0.4294 0.5183 0.8670 0.147 Uiso 1 1 calc R U . . .
H15C H 0.4398 0.5484 0.8876 0.147 Uiso 1 1 calc R U . . .
C16 C 0.6184(18) 0.5067(4) 0.9228(13) 0.097(7) Uani 1 1 d . . . . .
H16A H 0.6834 0.5035 0.9092 0.146 Uiso 1 1 calc R U . . .
H16B H 0.5751 0.4919 0.9081 0.146 Uiso 1 1 calc R U . . .
H16C H 0.6255 0.5090 0.9752 0.146 Uiso 1 1 calc R U . . .
C17 C 1.0197(9) 0.6839(3) 1.0865(7) 0.047(3) Uani 1 1 d . . . . .
C18 C 1.0003(13) 0.7087(4) 1.0407(10) 0.076(5) Uani 1 1 d . . . . .
H18A H 1.0023 0.7046 0.9899 0.114 Uiso 1 1 calc R U . . .
H18B H 1.0512 0.7216 1.0577 0.114 Uiso 1 1 calc R U . . .
H18C H 0.9352 0.7157 1.0454 0.114 Uiso 1 1 calc R U . . .
C19 C 1.0173(12) 0.6903(4) 1.1672(8) 0.066(5) Uani 1 1 d . . . . .
H19A H 0.9556 0.6993 1.1715 0.099 Uiso 1 1 calc R U . . .
H19B H 1.0735 0.7014 1.1859 0.099 Uiso 1 1 calc R U . . .
H19C H 1.0211 0.6741 1.1951 0.099 Uiso 1 1 calc R U . . .
C20 C 1.1242(15) 0.6773(3) 1.0809(16) 0.108(9) Uani 1 1 d . . . . .
H20A H 1.1310 0.6584 1.0778 0.162 Uiso 1 1 calc R U . . .
H20B H 1.1680 0.6837 1.1237 0.162 Uiso 1 1 calc R U . . .
H20C H 1.1422 0.6854 1.0375 0.162 Uiso 1 1 calc R U . . .
C21 C 0.4375(8) 0.6192(2) 0.9397(6) 0.031(2) Uani 1 1 d . . . . .
C22 C 0.4113(9) 0.6293(3) 0.8693(6) 0.038(3) Uani 1 1 d . . . . .
C23 C 0.3154(10) 0.6240(3) 0.8355(7) 0.049(4) Uani 1 1 d . . . . .
H23 H 0.2942 0.6308 0.7885 0.059 Uiso 1 1 calc R U . . .
C24 C 0.2487(10) 0.6091(3) 0.8670(7) 0.055(4) Uani 1 1 d . . . . .
H24 H 0.1839 0.6063 0.8416 0.067 Uiso 1 1 calc R U . . .
C25 C 0.2758(9) 0.5982(3) 0.9352(7) 0.040(3) Uani 1 1 d . . . . .
C26 C 0.3713(9) 0.6048(2) 0.9715(7) 0.035(3) Uani 1 1 d . . . . .
H26 H 0.3905 0.5991 1.0198 0.043 Uiso 1 1 calc R U . . .
C27 C 0.4758(8) 0.6453(3) 0.8261(6) 0.035(3) Uani 1 1 d . . . . .
C28 C 0.5631(9) 0.6346(3) 0.8062(6) 0.038(3) Uani 1 1 d . . . . .
H28 H 0.5878 0.6184 0.8253 0.046 Uiso 1 1 calc R U . . .
C29 C 0.6123(9) 0.6484(3) 0.7580(7) 0.051(4) Uani 1 1 d . . . . .
H29 H 0.6722 0.6414 0.7468 0.061 Uiso 1 1 calc R U . . .
C30 C 0.5779(10) 0.6717(3) 0.7256(6) 0.047(3) Uani 1 1 d . . . . .
C31 C 0.4930(11) 0.6824(3) 0.7477(8) 0.051(4) Uani 1 1 d . . . . .
H31 H 0.4691 0.6988 0.7291 0.062 Uiso 1 1 calc R U . . .
C32 C 0.4428(9) 0.6692(3) 0.7972(6) 0.043(3) Uani 1 1 d . . . . .
H32 H 0.3855 0.6768 0.8109 0.051 Uiso 1 1 calc R U . . .
C33 C 0.6251(13) 0.6850(4) 0.6664(8) 0.075(6) Uani 1 1 d . . . . .
C34 C 0.7203(17) 0.6718(7) 0.6533(14) 0.146(14) Uani 1 1 d . . . . .
H34A H 0.7445 0.6604 0.6941 0.218 Uiso 1 1 calc R U . . .
H34B H 0.7704 0.6850 0.6484 0.218 Uiso 1 1 calc R U . . .
H34C H 0.7072 0.6615 0.6089 0.218 Uiso 1 1 calc R U . . .
C35 C 0.645(3) 0.7140(6) 0.6863(17) 0.168(15) Uani 1 1 d . . . . .
H35A H 0.5885 0.7211 0.7057 0.252 Uiso 1 1 calc R U . . .
H35B H 0.6545 0.7237 0.6430 0.252 Uiso 1 1 calc R U . . .
H35C H 0.7045 0.7154 0.7227 0.252 Uiso 1 1 calc R U . . .
C36 C 0.5524(18) 0.6853(7) 0.5975(10) 0.158(15) Uani 1 1 d . . . . .
H36A H 0.5572 0.6690 0.5714 0.237 Uiso 1 1 calc R U . . .
H36B H 0.5672 0.6999 0.5674 0.237 Uiso 1 1 calc R U . . .
H36C H 0.4854 0.6872 0.6086 0.237 Uiso 1 1 calc R U . . .
C41 C 0.5413(8) 0.6210(2) 1.0873(6) 0.025(2) Uani 1 1 d . . . . .
C42 C 0.4972(8) 0.6401(2) 1.1257(6) 0.030(2) Uani 1 1 d . . . . .
C44 C 0.4832(9) 0.6334(2) 1.1971(6) 0.034(3) Uani 1 1 d . . . . .
H44 H 0.4523 0.6457 1.2240 0.040 Uiso 1 1 calc R U . . .
C45 C 0.5122(9) 0.6101(2) 1.2288(6) 0.038(3) Uani 1 1 d . . . . .
H45 H 0.5005 0.6067 1.2764 0.045 Uiso 1 1 calc R U . . .
C46 C 0.5596(9) 0.5909(2) 1.1916(6) 0.033(3) Uani 1 1 d . . . . .
C47 C 0.5730(8) 0.5972(2) 1.1195(6) 0.029(2) Uani 1 1 d . . . . .
H47 H 0.6040 0.5849 1.0926 0.035 Uiso 1 1 calc R U . . .
C48 C 0.4608(8) 0.6660(2) 1.0949(6) 0.032(3) Uani 1 1 d . . . . .
C49 C 0.3794(9) 0.6680(2) 1.0410(7) 0.039(3) Uani 1 1 d . . . . .
H49 H 0.3448 0.6528 1.0226 0.047 Uiso 1 1 calc R U . . .
C50 C 0.3477(10) 0.6926(2) 1.0133(7) 0.041(3) Uani 1 1 d . . . . .
H50 H 0.2936 0.6935 0.9747 0.050 Uiso 1 1 calc R U . . .
C51 C 0.3922(8) 0.7154(2) 1.0400(6) 0.032(3) Uani 1 1 d . . . . .
C52 C 0.4736(11) 0.7128(3) 1.0937(8) 0.055(4) Uani 1 1 d . . . . .
H52 H 0.5072 0.7280 1.1129 0.066 Uiso 1 1 calc R U . . .
C53 C 0.5078(10) 0.6889(3) 1.1205(8) 0.048(3) Uani 1 1 d . . . . .
H53 H 0.5643 0.6880 1.1570 0.057 Uiso 1 1 calc R U . . .
C54 C 0.5941(11) 0.5641(2) 1.2264(7) 0.045(3) Uani 1 1 d . . . . .
C55 C 0.6330(15) 0.5462(3) 1.1737(9) 0.075(5) Uani 1 1 d . . . . .
H55A H 0.5833 0.5442 1.1304 0.112 Uiso 1 1 calc R U . . .
H55B H 0.6474 0.5292 1.1963 0.112 Uiso 1 1 calc R U . . .
H55C H 0.6936 0.5535 1.1604 0.112 Uiso 1 1 calc R U . . .
C56 C 0.5053(14) 0.5505(3) 1.2508(9) 0.068(5) Uani 1 1 d . . . . .
H56A H 0.4830 0.5607 1.2894 0.102 Uiso 1 1 calc R U . . .
H56B H 0.5249 0.5332 1.2688 0.102 Uiso 1 1 calc R U . . .
H56C H 0.4515 0.5492 1.2098 0.102 Uiso 1 1 calc R U . . .
C57 C 0.6709(14) 0.5705(3) 1.2931(9) 0.072(5) Uani 1 1 d . . . . .
H57A H 0.7332 0.5755 1.2777 0.108 Uiso 1 1 calc R U . . .
H57B H 0.6818 0.5551 1.3242 0.108 Uiso 1 1 calc R U . . .
H57C H 0.6467 0.5848 1.3199 0.108 Uiso 1 1 calc R U . . .
C62 C 0.646(2) 0.7101(4) 0.9558(18) 0.132(11) Uani 1 1 d . U . . .
H62A H 0.5994 0.7188 0.9175 0.158 Uiso 1 1 calc R U . . .
H62B H 0.6608 0.7204 1.0006 0.158 Uiso 1 1 calc R U . . .
C63 C 0.712(2) 0.6997(4) 0.937(2) 0.148(12) Uani 1 1 d . U . . .
H63 H 0.7640 0.7015 0.9807 0.177 Uiso 1 1 calc R U . . .
C64 C 0.7648(18) 0.6931(5) 0.8856(15) 0.111(8) Uani 1 1 d . U . . .
H64A H 0.7538 0.6748 0.8731 0.166 Uiso 1 1 calc R U . . .
H64B H 0.8351 0.6960 0.9033 0.166 Uiso 1 1 calc R U . . .
H64C H 0.7441 0.7038 0.8426 0.166 Uiso 1 1 calc R U . . .
Au2 Au 0.13392(3) 0.64564(2) 0.47437(3) 0.03404(13) Uani 1 1 d . U . . .
P2 P 0.1993(2) 0.60464(5) 0.47154(15) 0.0254(6) Uani 1 1 d . . . . .
C028 C -0.2612(9) 0.6591(3) 0.3646(8) 0.046(3) Uani 1 1 d . . . . .
C65 C 0.1261(8) 0.5788(3) 0.5063(6) 0.034(3) Uani 1 1 d . . . . .
C66 C 0.1762(8) 0.5575(2) 0.5412(6) 0.033(3) Uani 1 1 d . . . . .
H66 H 0.2453 0.5562 0.5410 0.040 Uiso 1 1 calc R U . . .
C67 C 0.1318(9) 0.5384(2) 0.5757(7) 0.039(3) Uani 1 1 d . . . . .
C68 C 0.0304(10) 0.5411(3) 0.5754(8) 0.052(4) Uani 1 1 d . . . . .
H68 H -0.0033 0.5284 0.5991 0.063 Uiso 1 1 calc R U . . .
C69 C -0.0218(9) 0.5616(3) 0.5416(8) 0.051(4) Uani 1 1 d . . . . .
H69 H -0.0904 0.5628 0.5435 0.061 Uiso 1 1 calc R U . . .
C70 C 0.0223(8) 0.5809(2) 0.5044(6) 0.029(2) Uani 1 1 d . . . . .
C71 C -0.0426(8) 0.6020(2) 0.4685(7) 0.036(3) Uani 1 1 d . . . . .
C72 C -0.1013(9) 0.6163(3) 0.5084(7) 0.042(3) Uani 1 1 d . . . . .
H72 H -0.0950 0.6136 0.5590 0.051 Uiso 1 1 calc R U . . .
C73 C -0.1690(9) 0.6347(3) 0.4757(7) 0.045(3) Uani 1 1 d . . . . .
H73 H -0.2080 0.6444 0.5039 0.054 Uiso 1 1 calc R U . . .
C74 C -0.1791(9) 0.6388(3) 0.3995(7) 0.041(3) Uani 1 1 d . . . . .
C75 C -0.1183(8) 0.6252(2) 0.3616(6) 0.032(3) Uani 1 1 d . . . . .
H75 H -0.1226 0.6284 0.3113 0.038 Uiso 1 1 calc R U . . .
C76 C -0.0490(9) 0.6066(2) 0.3948(7) 0.038(3) Uani 1 1 d . . . . .
H76 H -0.0077 0.5975 0.3672 0.046 Uiso 1 1 calc R U . . .
C77 C 0.1918(11) 0.5147(3) 0.6139(10) 0.063(4) Uani 1 1 d . U . . .
C78 C 0.177(2) 0.5145(6) 0.6920(13) 0.158(12) Uani 1 1 d . U . . .
H78A H 0.2132 0.5291 0.7174 0.237 Uiso 1 1 calc R U . . .
H78B H 0.2026 0.4982 0.7147 0.237 Uiso 1 1 calc R U . . .
H78C H 0.1068 0.5161 0.6947 0.237 Uiso 1 1 calc R U . . .
C79 C 0.149(2) 0.4897(5) 0.5784(19) 0.166(12) Uani 1 1 d . U . . .
H79A H 0.0766 0.4899 0.5751 0.250 Uiso 1 1 calc R U . . .
H79B H 0.1757 0.4748 0.6076 0.250 Uiso 1 1 calc R U . . .
H79C H 0.1659 0.4883 0.5299 0.250 Uiso 1 1 calc R U . . .
C80 C 0.2942(15) 0.5149(5) 0.6078(18) 0.137(10) Uani 1 1 d . U . . .
H80A H 0.3015 0.5170 0.5570 0.206 Uiso 1 1 calc R U . . .
H80B H 0.3244 0.4985 0.6260 0.206 Uiso 1 1 calc R U . . .
H80C H 0.3269 0.5293 0.6362 0.206 Uiso 1 1 calc R U . . .
C81 C -0.2402(11) 0.6852(3) 0.3971(10) 0.062(4) Uani 1 1 d . . . . .
H81A H -0.2405 0.6843 0.4492 0.093 Uiso 1 1 calc R U . . .
H81B H -0.2910 0.6975 0.3751 0.093 Uiso 1 1 calc R U . . .
H81C H -0.1753 0.6911 0.3882 0.093 Uiso 1 1 calc R U . . .
C82 C -0.3616(8) 0.6483(3) 0.3782(8) 0.050(4) Uani 1 1 d . . . . .
H82A H -0.3714 0.6309 0.3571 0.074 Uiso 1 1 calc R U . . .
H82B H -0.4148 0.6598 0.3558 0.074 Uiso 1 1 calc R U . . .
H82C H -0.3622 0.6474 0.4303 0.074 Uiso 1 1 calc R U . . .
C83 C -0.2637(11) 0.6596(3) 0.2825(8) 0.059(4) Uani 1 1 d . . . . .
H83A H -0.2020 0.6670 0.2716 0.088 Uiso 1 1 calc R U . . .
H83B H -0.3196 0.6701 0.2599 0.088 Uiso 1 1 calc R U . . .
H83C H -0.2712 0.6418 0.2637 0.088 Uiso 1 1 calc R U . . .
C84 C 0.2218(7) 0.5940(2) 0.3810(6) 0.027(2) Uani 1 1 d . . . . .
C85 C 0.1986(8) 0.5681(2) 0.3624(6) 0.030(2) Uani 1 1 d . . . . .
H85 H 0.1725 0.5575 0.3963 0.036 Uiso 1 1 calc R U . . .
C86 C 0.2121(10) 0.5566(3) 0.2946(7) 0.042(3) Uani 1 1 d . . . . .
C87 C 0.2463(11) 0.5729(3) 0.2460(7) 0.051(4) Uani 1 1 d . . . . .
H87 H 0.2558 0.5663 0.2003 0.061 Uiso 1 1 calc R U . . .
C88 C 0.2674(11) 0.5990(3) 0.2624(7) 0.047(3) Uani 1 1 d . . . . .
H88 H 0.2897 0.6097 0.2269 0.056 Uiso 1 1 calc R U . . .
C89 C 0.2569(9) 0.6102(2) 0.3297(6) 0.033(3) Uani 1 1 d . . . . .
C90 C 0.2861(9) 0.6386(2) 0.3408(7) 0.035(3) Uani 1 1 d . . . . .
C91 C 0.2539(10) 0.6567(3) 0.2868(7) 0.048(3) Uani 1 1 d . . . . .
H91 H 0.2077 0.6515 0.2461 0.058 Uiso 1 1 calc R U . . .
C92 C 0.2871(11) 0.6821(3) 0.2907(8) 0.052(4) Uani 1 1 d . . . . .
H92 H 0.2668 0.6932 0.2509 0.062 Uiso 1 1 calc R U . . .
C93 C 0.3484(9) 0.6918(3) 0.3501(8) 0.045(3) Uani 1 1 d . . . . .
C94 C 0.3787(9) 0.6740(3) 0.4052(8) 0.044(3) Uani 1 1 d . . . . .
H94 H 0.4201 0.6798 0.4477 0.053 Uiso 1 1 calc R U . . .
C95 C 0.3501(9) 0.6474(3) 0.4002(7) 0.042(3) Uani 1 1 d . . . . .
H95 H 0.3752 0.6357 0.4378 0.051 Uiso 1 1 calc R U . . .
C96 C 0.1905(11) 0.5273(3) 0.2822(8) 0.050(3) Uani 1 1 d . . . . .
C97 C 0.1927(16) 0.5205(3) 0.2017(10) 0.082(6) Uani 1 1 d . . . . .
H97A H 0.1884 0.5017 0.1953 0.123 Uiso 1 1 calc R U . . .
H97B H 0.2545 0.5268 0.1879 0.123 Uiso 1 1 calc R U . . .
H97C H 0.1366 0.5288 0.1712 0.123 Uiso 1 1 calc R U . . .
C98 C 0.0882(14) 0.5212(3) 0.3005(12) 0.084(6) Uani 1 1 d . . . . .
H98A H 0.0407 0.5341 0.2783 0.125 Uiso 1 1 calc R U . . .
H98B H 0.0909 0.5214 0.3530 0.125 Uiso 1 1 calc R U . . .
H98C H 0.0675 0.5039 0.2819 0.125 Uiso 1 1 calc R U . . .
C99 C 0.2685(17) 0.5128(3) 0.3297(12) 0.091(7) Uani 1 1 d . . . . .
H99A H 0.2525 0.4942 0.3274 0.137 Uiso 1 1 calc R U . . .
H99B H 0.2723 0.5189 0.3795 0.137 Uiso 1 1 calc R U . . .
H99C H 0.3322 0.5156 0.3136 0.137 Uiso 1 1 calc R U . . .
C104 C 0.3182(7) 0.6016(2) 0.5305(5) 0.023(2) Uani 1 1 d . . . . .
C105 C 0.3325(9) 0.6137(2) 0.5994(6) 0.035(3) Uani 1 1 d . . . . .
C106 C 0.4243(10) 0.6109(3) 0.6412(7) 0.046(3) Uani 1 1 d . . . . .
H106 H 0.4379 0.6198 0.6861 0.056 Uiso 1 1 calc R U . . .
C107 C 0.4982(9) 0.5954(3) 0.6193(7) 0.052(4) Uani 1 1 d . . . . .
H107 H 0.5593 0.5932 0.6506 0.063 Uiso 1 1 calc R U . . .
C108 C 0.4834(9) 0.5830(3) 0.5522(6) 0.040(3) Uani 1 1 d . . . . .
C109 C 0.3928(8) 0.5869(2) 0.5088(6) 0.034(3) Uani 1 1 d . . . . .
H109 H 0.3815 0.5792 0.4622 0.040 Uiso 1 1 calc R U . . .
C110 C 0.2562(8) 0.6291(2) 0.6301(6) 0.033(3) Uani 1 1 d . . . . .
C111 C 0.1747(8) 0.6172(2) 0.6541(6) 0.035(3) Uani 1 1 d . . . . .
H111 H 0.1647 0.5991 0.6466 0.042 Uiso 1 1 calc R U . . .
C112 C 0.1075(8) 0.6313(2) 0.6889(6) 0.033(3) Uani 1 1 d . . . . .
H112 H 0.0507 0.6228 0.7007 0.040 Uiso 1 1 calc R U . . .
C113 C 0.1229(8) 0.6577(2) 0.7066(6) 0.033(3) Uani 1 1 d . . . . .
C114 C 0.2026(9) 0.6698(2) 0.6814(6) 0.036(3) Uani 1 1 d . . . . .
H114 H 0.2130 0.6878 0.6899 0.043 Uiso 1 1 calc R U . . .
C115 C 0.2682(9) 0.6560(3) 0.6438(6) 0.038(3) Uani 1 1 d . . . . .
H115 H 0.3210 0.6650 0.6276 0.045 Uiso 1 1 calc R U . . .
C116 C 0.5652(10) 0.5650(3) 0.5295(7) 0.048(3) Uani 1 1 d . . . . .
C117 C 0.6548(12) 0.5814(5) 0.5221(12) 0.095(7) Uani 1 1 d . . . . .
H11A H 0.6377 0.5937 0.4822 0.142 Uiso 1 1 calc R U . . .
H11B H 0.7087 0.5702 0.5122 0.142 Uiso 1 1 calc R U . . .
H11C H 0.6758 0.5910 0.5670 0.142 Uiso 1 1 calc R U . . .
C118 C 0.5900(13) 0.5435(3) 0.5883(10) 0.075(5) Uani 1 1 d . . . . .
H11D H 0.6129 0.5516 0.6353 0.112 Uiso 1 1 calc R U . . .
H11E H 0.6420 0.5322 0.5754 0.112 Uiso 1 1 calc R U . . .
H11F H 0.5307 0.5332 0.5911 0.112 Uiso 1 1 calc R U . . .
C119 C 0.5284(13) 0.5508(5) 0.4570(10) 0.093(7) Uani 1 1 d . . . . .
H11G H 0.4657 0.5420 0.4599 0.139 Uiso 1 1 calc R U . . .
H11H H 0.5776 0.5379 0.4480 0.139 Uiso 1 1 calc R U . . .
H11I H 0.5186 0.5634 0.4175 0.139 Uiso 1 1 calc R U . . .
C120 C 0.0581(10) 0.6733(3) 0.7522(8) 0.047(3) Uani 1 1 d . . . . .
C121 C -0.0217(13) 0.6558(4) 0.7783(10) 0.070(5) Uani 1 1 d . . . . .
H12A H -0.0632 0.6480 0.7365 0.105 Uiso 1 1 calc R U . . .
H12B H -0.0628 0.6663 0.8053 0.105 Uiso 1 1 calc R U . . .
H12C H 0.0108 0.6421 0.8097 0.105 Uiso 1 1 calc R U . . .
C122 C 0.0054(13) 0.6954(4) 0.7056(10) 0.076(5) Uani 1 1 d . . . . .
H12D H 0.0547 0.7066 0.6889 0.114 Uiso 1 1 calc R U . . .
H12E H -0.0344 0.7055 0.7346 0.114 Uiso 1 1 calc R U . . .
H12F H -0.0377 0.6880 0.6639 0.114 Uiso 1 1 calc R U . . .
C123 C 0.1194(15) 0.6842(3) 0.8182(8) 0.070(5) Uani 1 1 d . . . . .
H12G H 0.1449 0.6700 0.8506 0.106 Uiso 1 1 calc R U . . .
H12H H 0.0788 0.6957 0.8428 0.106 Uiso 1 1 calc R U . . .
H12I H 0.1748 0.6940 0.8044 0.106 Uiso 1 1 calc R U . . .
C124 C 0.084(3) 0.6849(5) 0.5028(12) 0.139(6) Uani 1 1 d . U . . .
H12J H 0.0289 0.6852 0.5306 0.167 Uiso 1 1 calc R U . . .
H12K H 0.1379 0.6971 0.5223 0.167 Uiso 1 1 calc R U . . .
C125 C 0.065(3) 0.6850(5) 0.4471(12) 0.139(6) Uani 1 1 d . U . . .
H125 H -0.0049 0.6791 0.4474 0.167 Uiso 1 1 calc R U . . .
C126 C 0.050(2) 0.6911(5) 0.3697(11) 0.139(6) Uani 1 1 d . U . . .
H12Y H 0.1099 0.6990 0.3574 0.209 Uiso 1 1 calc R U . . .
H12Z H -0.0055 0.7033 0.3583 0.209 Uiso 1 1 calc R U . . .
H12L H 0.0349 0.6752 0.3417 0.209 Uiso 1 1 calc R U . . .
Sb1 Sb 0.27529(9) 0.75599(2) 0.69422(7) 0.0636(3) Uani 1 1 d . . . . .
F1 F 0.3736(14) 0.7455(3) 0.6480(9) 0.145(6) Uani 1 1 d . . . . .
F2 F 0.1712(10) 0.7672(3) 0.7401(9) 0.130(5) Uani 1 1 d . . . . .
F3 F 0.3627(9) 0.7740(2) 0.7621(7) 0.102(4) Uani 1 1 d . . . . .
F4 F 0.2607(10) 0.7857(3) 0.6360(8) 0.119(5) Uani 1 1 d . . . . .
F5 F 0.1844(11) 0.7387(2) 0.6273(8) 0.115(5) Uani 1 1 d . . . . .
F6 F 0.2917(9) 0.7268(2) 0.7530(6) 0.099(4) Uani 1 1 d . . . . .
Sb2 Sb -0.12788(9) 0.57350(2) 0.74186(6) 0.0647(3) Uani 1 1 d . . . . .
F7 F 0.0072(9) 0.5709(4) 0.7333(7) 0.129(6) Uani 1 1 d . . . . .
F8 F -0.2632(10) 0.5764(3) 0.7487(7) 0.113(4) Uani 1 1 d . . . . .
F9 F -0.1002(12) 0.5970(3) 0.8181(6) 0.119(5) Uani 1 1 d . . . . .
F10 F -0.1403(11) 0.6012(2) 0.6747(6) 0.105(4) Uani 1 1 d . . . . .
F11 F -0.1570(9) 0.5495(2) 0.6656(6) 0.096(4) Uani 1 1 d . . . . .
F12 F -0.1139(10) 0.5462(2) 0.8087(7) 0.099(4) Uani 1 1 d . . . . .
C100 C 0.3866(11) 0.7204(3) 0.3563(9) 0.071(4) Uani 1 1 d D U . . .
C103 C 0.3433(19) 0.7373(5) 0.2896(13) 0.089(7) Uani 0.715(19) 1 d D U P A 1
H10A H 0.2711 0.7362 0.2818 0.133 Uiso 0.715(19) 1 calc R U P A 1
H10B H 0.3636 0.7554 0.2985 0.133 Uiso 0.715(19) 1 calc R U P A 1
H10C H 0.3681 0.7309 0.2466 0.133 Uiso 0.715(19) 1 calc R U P A 1
C101 C 0.5014(15) 0.7226(6) 0.3671(15) 0.097(8) Uani 0.715(19) 1 d D U P A 1
H10D H 0.5302 0.7121 0.4088 0.145 Uiso 0.715(19) 1 calc R U P A 1
H10E H 0.5254 0.7163 0.3238 0.145 Uiso 0.715(19) 1 calc R U P A 1
H10F H 0.5209 0.7407 0.3756 0.145 Uiso 0.715(19) 1 calc R U P A 1
C102 C 0.3515(19) 0.7323(4) 0.4245(12) 0.082(6) Uani 0.715(19) 1 d D U P A 1
H10G H 0.2793 0.7312 0.4192 0.123 Uiso 0.715(19) 1 calc R U P A 1
H10H H 0.3811 0.7226 0.4676 0.123 Uiso 0.715(19) 1 calc R U P A 1
H10I H 0.3719 0.7505 0.4295 0.123 Uiso 0.715(19) 1 calc R U P A 1
C1A C 0.444(4) 0.7237(13) 0.291(2) 0.094(12) Uani 0.285(19) 1 d D U P A 2
H1AA H 0.4985 0.7113 0.2956 0.142 Uiso 0.285(19) 1 calc R U P A 2
H1AB H 0.3987 0.7205 0.2458 0.142 Uiso 0.285(19) 1 calc R U P A 2
H1AC H 0.4698 0.7414 0.2908 0.142 Uiso 0.285(19) 1 calc R U P A 2
C1B C 0.301(3) 0.7402(9) 0.348(3) 0.082(11) Uani 0.285(19) 1 d D U P A 2
H1BA H 0.2549 0.7365 0.3033 0.123 Uiso 0.285(19) 1 calc R U P A 2
H1BB H 0.2654 0.7388 0.3893 0.123 Uiso 0.285(19) 1 calc R U P A 2
H1BC H 0.3270 0.7578 0.3457 0.123 Uiso 0.285(19) 1 calc R U P A 2
C1C C 0.459(3) 0.7261(9) 0.4268(18) 0.070(9) Uani 0.285(19) 1 d D U P A 2
H1CA H 0.5136 0.7135 0.4319 0.105 Uiso 0.285(19) 1 calc R U P A 2
H1CB H 0.4859 0.7436 0.4247 0.105 Uiso 0.285(19) 1 calc R U P A 2
H1CC H 0.4244 0.7246 0.4683 0.105 Uiso 0.285(19) 1 calc R U P A 2
C58 C 0.3550(10) 0.7419(3) 1.0082(8) 0.064(3) Uani 1 1 d D U . . .
C59A C 0.4022(17) 0.7650(4) 1.0514(14) 0.065(6) Uani 0.592(19) 1 d D U P B 1
H59A H 0.3903 0.7637 1.1014 0.097 Uiso 0.592(19) 1 calc R U P B 1
H59B H 0.4735 0.7650 1.0507 0.097 Uiso 0.592(19) 1 calc R U P B 1
H59C H 0.3732 0.7811 1.0299 0.097 Uiso 0.592(19) 1 calc R U P B 1
C60A C 0.2447(15) 0.7448(5) 1.0071(16) 0.081(7) Uani 0.592(19) 1 d D U P B 1
H60A H 0.2299 0.7427 1.0563 0.122 Uiso 0.592(19) 1 calc R U P B 1
H60B H 0.2234 0.7620 0.9887 0.122 Uiso 0.592(19) 1 calc R U P B 1
H60C H 0.2094 0.7314 0.9758 0.122 Uiso 0.592(19) 1 calc R U P B 1
C61A C 0.376(2) 0.7451(5) 0.9321(12) 0.086(7) Uani 0.592(19) 1 d D U P B 1
H61A H 0.4471 0.7432 0.9319 0.129 Uiso 0.592(19) 1 calc R U P B 1
H61B H 0.3403 0.7317 0.9010 0.129 Uiso 0.592(19) 1 calc R U P B 1
H61C H 0.3543 0.7623 0.9140 0.129 Uiso 0.592(19) 1 calc R U P B 1
C60B C 0.320(3) 0.7569(7) 1.0683(15) 0.090(9) Uani 0.408(19) 1 d D U P B 2
H60D H 0.2688 0.7470 1.0871 0.134 Uiso 0.408(19) 1 calc R U P B 2
H60E H 0.3758 0.7599 1.1071 0.134 Uiso 0.408(19) 1 calc R U P B 2
H60F H 0.2928 0.7736 1.0496 0.134 Uiso 0.408(19) 1 calc R U P B 2
C61B C 0.269(2) 0.7408(6) 0.9454(15) 0.069(8) Uani 0.408(19) 1 d D U P B 2
H61D H 0.2886 0.7311 0.9051 0.103 Uiso 0.408(19) 1 calc R U P B 2
H61E H 0.2122 0.7321 0.9613 0.103 Uiso 0.408(19) 1 calc R U P B 2
H61F H 0.2497 0.7585 0.9296 0.103 Uiso 0.408(19) 1 calc R U P B 2
C59B C 0.434(2) 0.7579(7) 0.981(2) 0.081(9) Uani 0.408(19) 1 d D U P B 2
H59D H 0.4584 0.7486 0.9414 0.122 Uiso 0.408(19) 1 calc R U P B 2
H59E H 0.4062 0.7746 0.9626 0.122 Uiso 0.408(19) 1 calc R U P B 2
H59F H 0.4891 0.7609 1.0200 0.122 Uiso 0.408(19) 1 calc R U P B 2
C37 C 0.2059(9) 0.5816(3) 0.9726(8) 0.076(4) Uani 1 1 d D U . . .
C38A C 0.2554(18) 0.5563(5) 0.9989(18) 0.081(8) Uani 0.50(2) 1 d D U P C 1
H38A H 0.3197 0.5600 1.0283 0.122 Uiso 0.50(2) 1 calc R U P C 1
H38B H 0.2137 0.5470 1.0282 0.122 Uiso 0.50(2) 1 calc R U P C 1
H38C H 0.2649 0.5457 0.9574 0.122 Uiso 0.50(2) 1 calc R U P C 1
C39A C 0.1072(16) 0.5745(6) 0.9277(14) 0.080(8) Uani 0.50(2) 1 d D U P C 1
H39A H 0.0725 0.5904 0.9095 0.120 Uiso 0.50(2) 1 calc R U P C 1
H39B H 0.1183 0.5636 0.8869 0.120 Uiso 0.50(2) 1 calc R U P C 1
H39C H 0.0671 0.5650 0.9578 0.120 Uiso 0.50(2) 1 calc R U P C 1
C40A C 0.186(2) 0.5966(6) 1.0391(14) 0.090(8) Uani 0.50(2) 1 d D U P C 1
H40A H 0.1539 0.6131 1.0239 0.136 Uiso 0.50(2) 1 calc R U P C 1
H40B H 0.1430 0.5863 1.0651 0.136 Uiso 0.50(2) 1 calc R U P C 1
H40C H 0.2488 0.5999 1.0709 0.136 Uiso 0.50(2) 1 calc R U P C 1
C38B C 0.2500(17) 0.5702(6) 1.0449(13) 0.074(7) Uani 0.50(2) 1 d D U P C 2
H38D H 0.3070 0.5594 1.0392 0.112 Uiso 0.50(2) 1 calc R U P C 2
H38E H 0.2711 0.5843 1.0790 0.112 Uiso 0.50(2) 1 calc R U P C 2
H38F H 0.2003 0.5596 1.0635 0.112 Uiso 0.50(2) 1 calc R U P C 2
C39B C 0.179(2) 0.5593(6) 0.9216(16) 0.093(8) Uani 0.50(2) 1 d D U P C 2
H39D H 0.2385 0.5491 0.9181 0.139 Uiso 0.50(2) 1 calc R U P C 2
H39E H 0.1302 0.5483 0.9396 0.139 Uiso 0.50(2) 1 calc R U P C 2
H39F H 0.1515 0.5660 0.8737 0.139 Uiso 0.50(2) 1 calc R U P C 2
C40B C 0.1186(19) 0.5981(6) 0.9805(17) 0.090(8) Uani 0.50(2) 1 d D U P C 2
H40D H 0.1396 0.6123 1.0142 0.135 Uiso 0.50(2) 1 calc R U P C 2
H40E H 0.0902 0.6053 0.9334 0.135 Uiso 0.50(2) 1 calc R U P C 2
H40F H 0.0688 0.5876 0.9992 0.135 Uiso 0.50(2) 1 calc R U P C 2
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C63 Au1 C62 29.3(8) . . ?
C63 Au1 P1 163.7(7) . . ?
C62 Au1 P1 166.9(7) . . ?
C21 P1 C1 103.0(5) . . ?
C21 P1 C41 103.3(5) . . ?
C1 P1 C41 105.6(5) . . ?
C21 P1 Au1 114.2(4) . . ?
C1 P1 Au1 115.1(4) . . ?
C41 P1 Au1 114.2(3) . . ?
C2 C1 C6 121.8(12) . . ?
C2 C1 P1 116.1(9) . . ?
C6 C1 P1 122.0(10) . . ?
C1 C2 C3 123.7(12) . . ?
C1 C2 H2 118.2 . . ?
C3 C2 H2 118.2 . . ?
C4 C3 C2 115.3(12) . . ?
C4 C3 C13 121.3(13) . . ?
C2 C3 C13 123.3(13) . . ?
C5 C4 C3 120.2(13) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C4 C5 C6 124.0(12) . . ?
C4 C5 H5 118.0 . . ?
C6 C5 H5 118.0 . . ?
C5 C6 C1 114.9(12) . . ?
C5 C6 C7 118.5(11) . . ?
C1 C6 C7 126.5(11) . . ?
C8 C7 C12 119.1(12) . . ?
C8 C7 C6 123.2(12) . . ?
C12 C7 C6 117.6(11) . . ?
C7 C8 C9 120.5(13) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 H8 119.8 . . ?
C8 C9 C10 121.8(12) . . ?
C8 C9 H9 119.1 . . ?
C10 C9 H9 119.1 . . ?
C11 C10 C9 115.0(12) . . ?
C11 C10 C17 121.7(12) . . ?
C9 C10 C17 123.3(12) . . ?
C12 C11 C10 124.8(13) . . ?
C12 C11 H11 117.6 . . ?
C10 C11 H11 117.6 . . ?
C11 C12 C7 118.8(12) . . ?
C11 C12 H12 120.6 . . ?
C7 C12 H12 120.6 . . ?
C16 C13 C15 105.4(15) . . ?
C16 C13 C14 109.1(16) . . ?
C15 C13 C14 109.9(18) . . ?
C16 C13 C3 109.5(15) . . ?
C15 C13 C3 111.9(13) . . ?
C14 C13 C3 110.8(12) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C20 C17 C18 103.5(15) . . ?
C20 C17 C10 115.7(12) . . ?
C18 C17 C10 109.0(11) . . ?
C20 C17 C19 106.7(15) . . ?
C18 C17 C19 109.8(13) . . ?
C10 C17 C19 111.7(12) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C26 C21 C22 121.1(11) . . ?
C26 C21 P1 119.0(9) . . ?
C22 C21 P1 119.8(9) . . ?
C23 C22 C21 115.6(11) . . ?
C23 C22 C27 116.7(11) . . ?
C21 C22 C27 127.7(10) . . ?
C22 C23 C24 123.4(12) . . ?
C22 C23 H23 118.3 . . ?
C24 C23 H23 118.3 . . ?
C25 C24 C23 121.0(12) . . ?
C25 C24 H24 119.5 . . ?
C23 C24 H24 119.5 . . ?
C24 C25 C26 115.8(12) . . ?
C24 C25 C37 123.4(11) . . ?
C26 C25 C37 120.7(11) . . ?
C21 C26 C25 122.9(11) . . ?
C21 C26 H26 118.5 . . ?
C25 C26 H26 118.5 . . ?
C32 C27 C28 118.4(11) . . ?
C32 C27 C22 120.2(11) . . ?
C28 C27 C22 120.8(12) . . ?
C29 C28 C27 119.0(13) . . ?
C29 C28 H28 120.5 . . ?
C27 C28 H28 120.5 . . ?
C30 C29 C28 123.5(13) . . ?
C30 C29 H29 118.2 . . ?
C28 C29 H29 118.2 . . ?
C29 C30 C31 116.6(12) . . ?
C29 C30 C33 123.2(15) . . ?
C31 C30 C33 120.1(15) . . ?
C30 C31 C32 121.0(13) . . ?
C30 C31 H31 119.5 . . ?
C32 C31 H31 119.5 . . ?
C27 C32 C31 121.4(13) . . ?
C27 C32 H32 119.3 . . ?
C31 C32 H32 119.3 . . ?
C36 C33 C34 109(2) . . ?
C36 C33 C30 109.2(14) . . ?
C34 C33 C30 112.7(16) . . ?
C36 C33 C35 105(2) . . ?
C34 C33 C35 110(2) . . ?
C30 C33 C35 109.6(17) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C47 C41 C42 121.2(10) . . ?
C47 C41 P1 117.5(8) . . ?
C42 C41 P1 121.3(8) . . ?
C41 C42 C44 116.4(10) . . ?
C41 C42 C48 124.4(10) . . ?
C44 C42 C48 119.1(10) . . ?
C45 C44 C42 123.0(11) . . ?
C45 C44 H44 118.5 . . ?
C42 C44 H44 118.5 . . ?
C44 C45 C46 121.4(10) . . ?
C44 C45 H45 119.3 . . ?
C46 C45 H45 119.3 . . ?
C45 C46 C47 116.3(10) . . ?
C45 C46 C54 122.6(11) . . ?
C47 C46 C54 121.1(11) . . ?
C41 C47 C46 121.7(10) . . ?
C41 C47 H47 119.1 . . ?
C46 C47 H47 119.1 . . ?
C49 C48 C53 117.6(11) . . ?
C49 C48 C42 121.6(10) . . ?
C53 C48 C42 120.8(10) . . ?
C48 C49 C50 120.0(11) . . ?
C48 C49 H49 120.0 . . ?
C50 C49 H49 120.0 . . ?
C51 C50 C49 122.6(11) . . ?
C51 C50 H50 118.7 . . ?
C49 C50 H50 118.7 . . ?
C50 C51 C52 116.0(11) . . ?
C50 C51 C58 120.8(10) . . ?
C52 C51 C58 123.1(11) . . ?
C51 C52 C53 122.5(12) . . ?
C51 C52 H52 118.8 . . ?
C53 C52 H52 118.8 . . ?
C52 C53 C48 121.2(12) . . ?
C52 C53 H53 119.4 . . ?
C48 C53 H53 119.4 . . ?
C55 C54 C57 113.2(15) . . ?
C55 C54 C56 107.1(13) . . ?
C57 C54 C56 109.1(13) . . ?
C55 C54 C46 112.5(11) . . ?
C57 C54 C46 105.9(10) . . ?
C56 C54 C46 109.0(12) . . ?
C54 C55 H55A 109.5 . . ?
C54 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C54 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C54 C56 H56A 109.5 . . ?
C54 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C54 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C54 C57 H57A 109.5 . . ?
C54 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C54 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C63 C62 Au1 74.1(15) . . ?
C63 C62 H62A 116.1 . . ?
Au1 C62 H62A 116.1 . . ?
C63 C62 H62B 116.1 . . ?
Au1 C62 H62B 116.1 . . ?
H62A C62 H62B 113.1 . . ?
C62 C63 C64 151(4) . . ?
C62 C63 Au1 76.6(15) . . ?
C64 C63 Au1 113.6(17) . . ?
C62 C63 H63 102.0 . . ?
C64 C63 H63 102.0 . . ?
Au1 C63 H63 102.0 . . ?
C63 C64 H64A 109.5 . . ?
C63 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C63 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C124 Au2 C125 26.7(7) . . ?
C124 Au2 P2 167.4(6) . . ?
C125 Au2 P2 165.8(6) . . ?
C104 P2 C65 101.9(5) . . ?
C104 P2 C84 105.4(5) . . ?
C65 P2 C84 106.7(5) . . ?
C104 P2 Au2 112.3(3) . . ?
C65 P2 Au2 114.8(4) . . ?
C84 P2 Au2 114.6(4) . . ?
C81 C028 C83 111.7(13) . . ?
C81 C028 C82 112.3(13) . . ?
C83 C028 C82 107.1(12) . . ?
C81 C028 C74 110.4(11) . . ?
C83 C028 C74 108.7(11) . . ?
C82 C028 C74 106.4(10) . . ?
C66 C65 C70 119.0(11) . . ?
C66 C65 P2 118.5(8) . . ?
C70 C65 P2 122.3(9) . . ?
C67 C66 C65 124.2(11) . . ?
C67 C66 H66 117.9 . . ?
C65 C66 H66 117.9 . . ?
C66 C67 C68 116.2(11) . . ?
C66 C67 C77 122.1(11) . . ?
C68 C67 C77 121.7(11) . . ?
C69 C68 C67 121.6(12) . . ?
C69 C68 H68 119.2 . . ?
C67 C68 H68 119.2 . . ?
C68 C69 C70 122.7(11) . . ?
C68 C69 H69 118.6 . . ?
C70 C69 H69 118.6 . . ?
C69 C70 C65 116.3(10) . . ?
C69 C70 C71 117.8(10) . . ?
C65 C70 C71 125.9(10) . . ?
C76 C71 C72 119.5(11) . . ?
C76 C71 C70 120.7(11) . . ?
C72 C71 C70 119.8(11) . . ?
C71 C72 C73 121.6(12) . . ?
C71 C72 H72 119.2 . . ?
C73 C72 H72 119.2 . . ?
C72 C73 C74 119.3(12) . . ?
C72 C73 H73 120.4 . . ?
C74 C73 H73 120.4 . . ?
C75 C74 C73 118.3(11) . . ?
C75 C74 C028 124.7(12) . . ?
C73 C74 C028 117.0(12) . . ?
C74 C75 C76 122.4(11) . . ?
C74 C75 H75 118.8 . . ?
C76 C75 H75 118.8 . . ?
C71 C76 C75 118.9(12) . . ?
C71 C76 H76 120.6 . . ?
C75 C76 H76 120.6 . . ?
C80 C77 C78 111(2) . . ?
C80 C77 C79 107(2) . . ?
C78 C77 C79 108(2) . . ?
C80 C77 C67 114.0(13) . . ?
C78 C77 C67 107.8(14) . . ?
C79 C77 C67 108.5(15) . . ?
C77 C78 H78A 109.5 . . ?
C77 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
C77 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C77 C79 H79A 109.5 . . ?
C77 C79 H79B 109.5 . . ?
H79A C79 H79B 109.5 . . ?
C77 C79 H79C 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C77 C80 H80A 109.5 . . ?
C77 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
C77 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C028 C81 H81A 109.5 . . ?
C028 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
C028 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C028 C82 H82A 109.5 . . ?
C028 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
C028 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
C028 C83 H83A 109.5 . . ?
C028 C83 H83B 109.5 . . ?
H83A C83 H83B 109.5 . . ?
C028 C83 H83C 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C85 C84 C89 118.8(10) . . ?
C85 C84 P2 116.4(8) . . ?
C89 C84 P2 124.7(9) . . ?
C84 C85 C86 123.6(11) . . ?
C84 C85 H85 118.2 . . ?
C86 C85 H85 118.2 . . ?
C87 C86 C85 116.2(12) . . ?
C87 C86 C96 124.9(12) . . ?
C85 C86 C96 118.9(12) . . ?
C86 C87 C88 121.4(12) . . ?
C86 C87 H87 119.3 . . ?
C88 C87 H87 119.3 . . ?
C87 C88 C89 122.7(12) . . ?
C87 C88 H88 118.7 . . ?
C89 C88 H88 118.7 . . ?
C88 C89 C84 117.3(11) . . ?
C88 C89 C90 116.9(10) . . ?
C84 C89 C90 125.8(10) . . ?
C95 C90 C91 116.8(12) . . ?
C95 C90 C89 123.1(11) . . ?
C91 C90 C89 119.9(11) . . ?
C92 C91 C90 122.0(12) . . ?
C92 C91 H91 119.0 . . ?
C90 C91 H91 119.0 . . ?
C93 C92 C91 122.7(13) . . ?
C93 C92 H92 118.7 . . ?
C91 C92 H92 118.7 . . ?
C92 C93 C94 115.5(13) . . ?
C92 C93 C100 123.8(12) . . ?
C94 C93 C100 120.7(13) . . ?
C93 C94 C95 122.5(13) . . ?
C93 C94 H94 118.7 . . ?
C95 C94 H94 118.7 . . ?
C90 C95 C94 120.2(12) . . ?
C90 C95 H95 119.9 . . ?
C94 C95 H95 119.9 . . ?
C99 C96 C98 111.0(16) . . ?
C99 C96 C86 107.5(12) . . ?
C98 C96 C86 109.3(12) . . ?
C99 C96 C97 110.2(15) . . ?
C98 C96 C97 109.4(14) . . ?
C86 C96 C97 109.4(12) . . ?
C96 C97 H97A 109.5 . . ?
C96 C97 H97B 109.5 . . ?
H97A C97 H97B 109.5 . . ?
C96 C97 H97C 109.5 . . ?
H97A C97 H97C 109.5 . . ?
H97B C97 H97C 109.5 . . ?
C96 C98 H98A 109.5 . . ?
C96 C98 H98B 109.5 . . ?
H98A C98 H98B 109.5 . . ?
C96 C98 H98C 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C96 C99 H99A 109.5 . . ?
C96 C99 H99B 109.5 . . ?
H99A C99 H99B 109.5 . . ?
C96 C99 H99C 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
C109 C104 C105 120.4(10) . . ?
C109 C104 P2 120.0(8) . . ?
C105 C104 P2 119.6(8) . . ?
C106 C105 C104 116.9(11) . . ?
C106 C105 C110 117.8(11) . . ?
C104 C105 C110 125.4(10) . . ?
C105 C106 C107 121.9(11) . . ?
C105 C106 H106 119.1 . . ?
C107 C106 H106 119.1 . . ?
C108 C107 C106 121.1(11) . . ?
C108 C107 H107 119.5 . . ?
C106 C107 H107 119.5 . . ?
C109 C108 C107 116.7(11) . . ?
C109 C108 C116 122.7(12) . . ?
C107 C108 C116 120.5(11) . . ?
C104 C109 C108 122.9(11) . . ?
C104 C109 H109 118.6 . . ?
C108 C109 H109 118.6 . . ?
C111 C110 C115 116.2(11) . . ?
C111 C110 C105 122.0(11) . . ?
C115 C110 C105 121.4(11) . . ?
C110 C111 C112 122.2(11) . . ?
C110 C111 H111 118.9 . . ?
C112 C111 H111 118.9 . . ?
C113 C112 C111 121.5(11) . . ?
C113 C112 H112 119.3 . . ?
C111 C112 H112 119.3 . . ?
C114 C113 C112 116.4(10) . . ?
C114 C113 C120 120.0(11) . . ?
C112 C113 C120 123.5(11) . . ?
C113 C114 C115 122.4(11) . . ?
C113 C114 H114 118.8 . . ?
C115 C114 H114 118.8 . . ?
C110 C115 C114 121.1(11) . . ?
C110 C115 H115 119.5 . . ?
C114 C115 H115 119.5 . . ?
C117 C116 C119 109.7(15) . . ?
C117 C116 C118 111.9(14) . . ?
C119 C116 C118 106.6(15) . . ?
C117 C116 C108 108.6(13) . . ?
C119 C116 C108 111.7(11) . . ?
C118 C116 C108 108.3(11) . . ?
C116 C117 H11A 109.5 . . ?
C116 C117 H11B 109.5 . . ?
H11A C117 H11B 109.5 . . ?
C116 C117 H11C 109.5 . . ?
H11A C117 H11C 109.5 . . ?
H11B C117 H11C 109.5 . . ?
C116 C118 H11D 109.5 . . ?
C116 C118 H11E 109.5 . . ?
H11D C118 H11E 109.5 . . ?
C116 C118 H11F 109.5 . . ?
H11D C118 H11F 109.5 . . ?
H11E C118 H11F 109.5 . . ?
C116 C119 H11G 109.5 . . ?
C116 C119 H11H 109.5 . . ?
H11G C119 H11H 109.5 . . ?
C116 C119 H11I 109.5 . . ?
H11G C119 H11I 109.5 . . ?
H11H C119 H11I 109.5 . . ?
C123 C120 C122 110.1(14) . . ?
C123 C120 C113 110.9(12) . . ?
C122 C120 C113 109.1(11) . . ?
C123 C120 C121 106.7(13) . . ?
C122 C120 C121 108.5(13) . . ?
C113 C120 C121 111.5(12) . . ?
C120 C121 H12A 109.5 . . ?
C120 C121 H12B 109.5 . . ?
H12A C121 H12B 109.5 . . ?
C120 C121 H12C 109.5 . . ?
H12A C121 H12C 109.5 . . ?
H12B C121 H12C 109.5 . . ?
C120 C122 H12D 109.5 . . ?
C120 C122 H12E 109.5 . . ?
H12D C122 H12E 109.5 . . ?
C120 C122 H12F 109.5 . . ?
H12D C122 H12F 109.5 . . ?
H12E C122 H12F 109.5 . . ?
C120 C123 H12G 109.5 . . ?
C120 C123 H12H 109.5 . . ?
H12G C123 H12H 109.5 . . ?
C120 C123 H12I 109.5 . . ?
H12G C123 H12I 109.5 . . ?
H12H C123 H12I 109.5 . . ?
C125 C124 Au2 78.8(17) . . ?
C125 C124 H12J 115.4 . . ?
Au2 C124 H12J 115.4 . . ?
C125 C124 H12K 115.4 . . ?
Au2 C124 H12K 115.4 . . ?
H12J C124 H12K 112.5 . . ?
C124 C125 C126 166(4) . . ?
C124 C125 Au2 74.6(15) . . ?
C126 C125 Au2 113.7(14) . . ?
C124 C125 H125 95.2 . . ?
C126 C125 H125 95.2 . . ?
Au2 C125 H125 95.2 . . ?
C125 C126 H12Y 109.5 . . ?
C125 C126 H12Z 109.5 . . ?
H12Y C126 H12Z 109.5 . . ?
C125 C126 H12L 109.5 . . ?
H12Y C126 H12L 109.5 . . ?
H12Z C126 H12L 109.5 . . ?
F1 Sb1 F5 90.2(8) . . ?
F1 Sb1 F3 91.7(7) . . ?
F5 Sb1 F3 178.0(7) . . ?
F1 Sb1 F6 90.7(7) . . ?
F5 Sb1 F6 90.9(5) . . ?
F3 Sb1 F6 89.7(5) . . ?
F1 Sb1 F2 178.6(8) . . ?
F5 Sb1 F2 88.9(7) . . ?
F3 Sb1 F2 89.2(7) . . ?
F6 Sb1 F2 90.4(7) . . ?
F1 Sb1 F4 89.1(8) . . ?
F5 Sb1 F4 90.2(6) . . ?
F3 Sb1 F4 89.3(6) . . ?
F6 Sb1 F4 179.0(6) . . ?
F2 Sb1 F4 89.8(7) . . ?
F9 Sb2 F12 89.4(6) . . ?
F9 Sb2 F8 88.7(7) . . ?
F12 Sb2 F8 90.6(6) . . ?
F9 Sb2 F11 179.2(5) . . ?
F12 Sb2 F11 90.0(6) . . ?
F8 Sb2 F11 90.7(6) . . ?
F9 Sb2 F7 91.7(7) . . ?
F12 Sb2 F7 90.4(7) . . ?
F8 Sb2 F7 178.9(7) . . ?
F11 Sb2 F7 88.9(6) . . ?
F9 Sb2 F10 90.2(5) . . ?
F12 Sb2 F10 179.3(6) . . ?
F8 Sb2 F10 90.0(6) . . ?
F11 Sb2 F10 90.3(5) . . ?
F7 Sb2 F10 89.0(7) . . ?
C1B C100 C1C 109.8(15) . . ?
C101 C100 C103 108.1(12) . . ?
C101 C100 C102 107.6(12) . . ?
C103 C100 C102 108.0(11) . . ?
C1B C100 C1A 108.5(15) . . ?
C1C C100 C1A 108.2(15) . . ?
C1B C100 C93 112(2) . . ?
C1C C100 C93 114(2) . . ?
C101 C100 C93 113.4(15) . . ?
C103 C100 C93 112.8(14) . . ?
C102 C100 C93 106.6(13) . . ?
C1A C100 C93 104(3) . . ?
C100 C103 H10A 109.5 . . ?
C100 C103 H10B 109.5 . . ?
H10A C103 H10B 109.5 . . ?
C100 C103 H10C 109.5 . . ?
H10A C103 H10C 109.5 . . ?
H10B C103 H10C 109.5 . . ?
C100 C101 H10D 109.5 . . ?
C100 C101 H10E 109.5 . . ?
H10D C101 H10E 109.5 . . ?
C100 C101 H10F 109.5 . . ?
H10D C101 H10F 109.5 . . ?
H10E C101 H10F 109.5 . . ?
C100 C102 H10G 109.5 . . ?
C100 C102 H10H 109.5 . . ?
H10G C102 H10H 109.5 . . ?
C100 C102 H10I 109.5 . . ?
H10G C102 H10I 109.5 . . ?
H10H C102 H10I 109.5 . . ?
C100 C1A H1AA 109.5 . . ?
C100 C1A H1AB 109.5 . . ?
H1AA C1A H1AB 109.5 . . ?
C100 C1A H1AC 109.5 . . ?
H1AA C1A H1AC 109.5 . . ?
H1AB C1A H1AC 109.5 . . ?
C100 C1B H1BA 109.5 . . ?
C100 C1B H1BB 109.5 . . ?
H1BA C1B H1BB 109.5 . . ?
C100 C1B H1BC 109.5 . . ?
H1BA C1B H1BC 109.5 . . ?
H1BB C1B H1BC 109.5 . . ?
C100 C1C H1CA 109.5 . . ?
C100 C1C H1CB 109.5 . . ?
H1CA C1C H1CB 109.5 . . ?
C100 C1C H1CC 109.5 . . ?
H1CA C1C H1CC 109.5 . . ?
H1CB C1C H1CC 109.5 . . ?
C61A C58 C60A 108.5(12) . . ?
C60B C58 C59B 107.6(13) . . ?
C61A C58 C59A 106.8(11) . . ?
C60A C58 C59A 105.5(11) . . ?
C60B C58 C61B 107.1(13) . . ?
C59B C58 C61B 105.3(12) . . ?
C61A C58 C51 111.2(14) . . ?
C60B C58 C51 106.9(18) . . ?
C60A C58 C51 111.0(14) . . ?
C59B C58 C51 113.8(17) . . ?
C59A C58 C51 113.5(13) . . ?
C61B C58 C51 115.7(16) . . ?
C58 C59A H59A 109.5 . . ?
C58 C59A H59B 109.5 . . ?
H59A C59A H59B 109.5 . . ?
C58 C59A H59C 109.5 . . ?
H59A C59A H59C 109.5 . . ?
H59B C59A H59C 109.5 . . ?
C58 C60A H60A 109.5 . . ?
C58 C60A H60B 109.5 . . ?
H60A C60A H60B 109.5 . . ?
C58 C60A H60C 109.5 . . ?
H60A C60A H60C 109.5 . . ?
H60B C60A H60C 109.5 . . ?
C58 C61A H61A 109.5 . . ?
C58 C61A H61B 109.5 . . ?
H61A C61A H61B 109.5 . . ?
C58 C61A H61C 109.5 . . ?
H61A C61A H61C 109.5 . . ?
H61B C61A H61C 109.5 . . ?
C58 C60B H60D 109.5 . . ?
C58 C60B H60E 109.5 . . ?
H60D C60B H60E 109.5 . . ?
C58 C60B H60F 109.5 . . ?
H60D C60B H60F 109.5 . . ?
H60E C60B H60F 109.5 . . ?
C58 C61B H61D 109.5 . . ?
C58 C61B H61E 109.5 . . ?
H61D C61B H61E 109.5 . . ?
C58 C61B H61F 109.5 . . ?
H61D C61B H61F 109.5 . . ?
H61E C61B H61F 109.5 . . ?
C58 C59B H59D 109.5 . . ?
C58 C59B H59E 109.5 . . ?
H59D C59B H59E 109.5 . . ?
C58 C59B H59F 109.5 . . ?
H59D C59B H59F 109.5 . . ?
H59E C59B H59F 109.5 . . ?
C40B C37 C39B 112.4(12) . . ?
C40B C37 C38B 110.0(12) . . ?
C39B C37 C38B 107.4(11) . . ?
C38A C37 C39A 106.8(12) . . ?
C38A C37 C40A 107.3(11) . . ?
C39A C37 C40A 108.3(12) . . ?
C40B C37 C25 107.1(16) . . ?
C39B C37 C25 104.0(18) . . ?
C38B C37 C25 115.8(13) . . ?
C38A C37 C25 110.4(15) . . ?
C39A C37 C25 116.5(14) . . ?
C40A C37 C25 107.1(17) . . ?
C37 C38A H38A 109.5 . . ?
C37 C38A H38B 109.5 . . ?
H38A C38A H38B 109.5 . . ?
C37 C38A H38C 109.5 . . ?
H38A C38A H38C 109.5 . . ?
H38B C38A H38C 109.5 . . ?
C37 C39A H39A 109.5 . . ?
C37 C39A H39B 109.5 . . ?
H39A C39A H39B 109.5 . . ?
C37 C39A H39C 109.5 . . ?
H39A C39A H39C 109.5 . . ?
H39B C39A H39C 109.5 . . ?
C37 C40A H40A 109.5 . . ?
C37 C40A H40B 109.5 . . ?
H40A C40A H40B 109.5 . . ?
C37 C40A H40C 109.5 . . ?
H40A C40A H40C 109.5 . . ?
H40B C40A H40C 109.5 . . ?
C37 C38B H38D 109.5 . . ?
C37 C38B H38E 109.5 . . ?
H38D C38B H38E 109.5 . . ?
C37 C38B H38F 109.5 . . ?
H38D C38B H38F 109.5 . . ?
H38E C38B H38F 109.5 . . ?
C37 C39B H39D 109.5 . . ?
C37 C39B H39E 109.5 . . ?
H39D C39B H39E 109.5 . . ?
C37 C39B H39F 109.5 . . ?
H39D C39B H39F 109.5 . . ?
H39E C39B H39F 109.5 . . ?
C37 C40B H40D 109.5 . . ?
C37 C40B H40E 109.5 . . ?
H40D C40B H40E 109.5 . . ?
C37 C40B H40F 109.5 . . ?
H40D C40B H40F 109.5 . . ?
H40E C40B H40F 109.5 . . ?
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 C63 2.262(19) . ?
Au1 C62 2.29(2) . ?
Au1 P1 2.296(3) . ?
P1 C21 1.839(12) . ?
P1 C1 1.859(12) . ?
P1 C41 1.864(11) . ?
C1 C2 1.368(18) . ?
C1 C6 1.424(17) . ?
C2 C3 1.429(18) . ?
C2 H2 0.9500 . ?
C3 C4 1.42(2) . ?
C3 C13 1.54(2) . ?
C4 C5 1.41(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.408(18) . ?
C5 H5 0.9500 . ?
C6 C7 1.495(18) . ?
C7 C8 1.380(18) . ?
C7 C12 1.427(18) . ?
C8 C9 1.41(2) . ?
C8 H8 0.9500 . ?
C9 C10 1.431(19) . ?
C9 H9 0.9500 . ?
C10 C11 1.393(19) . ?
C10 C17 1.552(18) . ?
C11 C12 1.383(19) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C16 1.49(3) . ?
C13 C15 1.52(2) . ?
C13 C14 1.53(2) . ?
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 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C20 1.49(2) . ?
C17 C18 1.54(2) . ?
C17 C19 1.554(19) . ?
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 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C26 1.379(16) . ?
C21 C22 1.413(16) . ?
C22 C23 1.393(18) . ?
C22 C27 1.530(16) . ?
C23 C24 1.397(18) . ?
C23 H23 0.9500 . ?
C24 C25 1.391(18) . ?
C24 H24 0.9500 . ?
C25 C26 1.417(17) . ?
C25 C37 1.537(18) . ?
C26 H26 0.9500 . ?
C27 C32 1.395(18) . ?
C27 C28 1.421(17) . ?
C28 C29 1.406(19) . ?
C28 H28 0.9500 . ?
C29 C30 1.40(2) . ?
C29 H29 0.9500 . ?
C30 C31 1.41(2) . ?
C30 C33 1.535(19) . ?
C31 C32 1.415(18) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 C36 1.50(2) . ?
C33 C34 1.53(3) . ?
C33 C35 1.55(3) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C41 C47 1.407(15) . ?
C41 C42 1.411(16) . ?
C42 C44 1.426(16) . ?
C42 C48 1.509(16) . ?
C44 C45 1.371(17) . ?
C44 H44 0.9500 . ?
C45 C46 1.427(17) . ?
C45 H45 0.9500 . ?
C46 C47 1.430(16) . ?
C46 C54 1.568(16) . ?
C47 H47 0.9500 . ?
C48 C49 1.385(16) . ?
C48 C53 1.391(18) . ?
C49 C50 1.411(16) . ?
C49 H49 0.9500 . ?
C50 C51 1.384(17) . ?
C50 H50 0.9500 . ?
C51 C52 1.384(17) . ?
C51 C58 1.544(17) . ?
C52 C53 1.386(18) . ?
C52 H52 0.9500 . ?
C53 H53 0.9500 . ?
C54 C55 1.51(2) . ?
C54 C57 1.54(2) . ?
C54 C56 1.54(2) . ?
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 . ?
C62 C63 1.15(3) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C64 1.35(3) . ?
C63 H63 1.0000 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
Au2 C124 2.23(2) . ?
Au2 C125 2.266(18) . ?
Au2 P2 2.301(3) . ?
P2 C104 1.825(11) . ?
P2 C65 1.849(12) . ?
P2 C84 1.857(11) . ?
C028 C81 1.49(2) . ?
C028 C83 1.53(2) . ?
C028 C82 1.544(18) . ?
C028 C74 1.600(17) . ?
C65 C66 1.400(16) . ?
C65 C70 1.423(15) . ?
C66 C67 1.376(17) . ?
C66 H66 0.9500 . ?
C67 C68 1.397(17) . ?
C67 C77 1.578(17) . ?
C68 C69 1.373(19) . ?
C68 H68 0.9500 . ?
C69 C70 1.407(17) . ?
C69 H69 0.9500 . ?
C70 C71 1.498(15) . ?
C71 C76 1.390(17) . ?
C71 C72 1.395(18) . ?
C72 C73 1.398(17) . ?
C72 H72 0.9500 . ?
C73 C74 1.430(19) . ?
C73 H73 0.9500 . ?
C74 C75 1.370(17) . ?
C75 C76 1.423(16) . ?
C75 H75 0.9500 . ?
C76 H76 0.9500 . ?
C77 C80 1.43(2) . ?
C77 C78 1.51(3) . ?
C77 C79 1.53(3) . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C84 C85 1.405(16) . ?
C84 C89 1.418(16) . ?
C85 C86 1.439(16) . ?
C85 H85 0.9500 . ?
C86 C87 1.375(19) . ?
C86 C96 1.550(19) . ?
C87 C88 1.404(19) . ?
C87 H87 0.9500 . ?
C88 C89 1.415(17) . ?
C88 H88 0.9500 . ?
C89 C90 1.524(17) . ?
C90 C95 1.380(18) . ?
C90 C91 1.398(18) . ?
C91 C92 1.38(2) . ?
C91 H91 0.9500 . ?
C92 C93 1.38(2) . ?
C92 H92 0.9500 . ?
C93 C94 1.394(18) . ?
C93 C100 1.57(2) . ?
C94 C95 1.422(18) . ?
C94 H94 0.9500 . ?
C95 H95 0.9500 . ?
C96 C99 1.48(2) . ?
C96 C98 1.53(2) . ?
C96 C97 1.55(2) . ?
C97 H97A 0.9800 . ?
C97 H97B 0.9800 . ?
C97 H97C 0.9800 . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
C104 C109 1.385(16) . ?
C104 C105 1.420(16) . ?
C105 C106 1.380(17) . ?
C105 C110 1.500(16) . ?
C106 C107 1.405(18) . ?
C106 H106 0.9500 . ?
C107 C108 1.396(19) . ?
C107 H107 0.9500 . ?
C108 C109 1.386(16) . ?
C108 C116 1.567(17) . ?
C109 H109 0.9500 . ?
C110 C111 1.409(17) . ?
C110 C115 1.419(18) . ?
C111 C112 1.414(16) . ?
C111 H111 0.9500 . ?
C112 C113 1.408(17) . ?
C112 H112 0.9500 . ?
C113 C114 1.403(17) . ?
C113 C120 1.553(17) . ?
C114 C115 1.419(17) . ?
C114 H114 0.9500 . ?
C115 H115 0.9500 . ?
C116 C117 1.52(2) . ?
C116 C119 1.56(2) . ?
C116 C118 1.56(2) . ?
C117 H11A 0.9800 . ?
C117 H11B 0.9800 . ?
C117 H11C 0.9800 . ?
C118 H11D 0.9800 . ?
C118 H11E 0.9800 . ?
C118 H11F 0.9800 . ?
C119 H11G 0.9800 . ?
C119 H11H 0.9800 . ?
C119 H11I 0.9800 . ?
C120 C123 1.49(2) . ?
C120 C122 1.54(2) . ?
C120 C121 1.56(2) . ?
C121 H12A 0.9800 . ?
C121 H12B 0.9800 . ?
C121 H12C 0.9800 . ?
C122 H12D 0.9800 . ?
C122 H12E 0.9800 . ?
C122 H12F 0.9800 . ?
C123 H12G 0.9800 . ?
C123 H12H 0.9800 . ?
C123 H12I 0.9800 . ?
C124 C125 1.04(3) . ?
C124 H12J 0.9900 . ?
C124 H12K 0.9900 . ?
C125 C126 1.47(3) . ?
C125 H125 1.0000 . ?
C126 H12Y 0.9800 . ?
C126 H12Z 0.9800 . ?
C126 H12L 0.9800 . ?
Sb1 F1 1.799(16) . ?
Sb1 F5 1.851(12) . ?
Sb1 F3 1.853(11) . ?
Sb1 F6 1.857(12) . ?
Sb1 F2 1.872(14) . ?
Sb1 F4 1.876(13) . ?
Sb2 F9 1.869(11) . ?
Sb2 F12 1.873(12) . ?
Sb2 F8 1.887(13) . ?
Sb2 F11 1.887(11) . ?
Sb2 F7 1.890(12) . ?
Sb2 F10 1.896(11) . ?
C100 C1B 1.55(2) . ?
C100 C1C 1.55(2) . ?
C100 C101 1.559(18) . ?
C100 C103 1.561(18) . ?
C100 C102 1.563(18) . ?
C100 C1A 1.56(2) . ?
C103 H10A 0.9800 . ?
C103 H10B 0.9800 . ?
C103 H10C 0.9800 . ?
C101 H10D 0.9800 . ?
C101 H10E 0.9800 . ?
C101 H10F 0.9800 . ?
C102 H10G 0.9800 . ?
C102 H10H 0.9800 . ?
C102 H10I 0.9800 . ?
C1A H1AA 0.9800 . ?
C1A H1AB 0.9800 . ?
C1A H1AC 0.9800 . ?
C1B H1BA 0.9800 . ?
C1B H1BB 0.9800 . ?
C1B H1BC 0.9800 . ?
C1C H1CA 0.9800 . ?
C1C H1CB 0.9800 . ?
C1C H1CC 0.9800 . ?
C58 C61A 1.509(18) . ?
C58 C60B 1.509(19) . ?
C58 C60A 1.518(18) . ?
C58 C59B 1.522(18) . ?
C58 C59A 1.526(17) . ?
C58 C61B 1.532(18) . ?
C59A H59A 0.9800 . ?
C59A H59B 0.9800 . ?
C59A H59C 0.9800 . ?
C60A H60A 0.9800 . ?
C60A H60B 0.9800 . ?
C60A H60C 0.9800 . ?
C61A H61A 0.9800 . ?
C61A H61B 0.9800 . ?
C61A H61C 0.9800 . ?
C60B H60D 0.9800 . ?
C60B H60E 0.9800 . ?
C60B H60F 0.9800 . ?
C61B H61D 0.9800 . ?
C61B H61E 0.9800 . ?
C61B H61F 0.9800 . ?
C59B H59D 0.9800 . ?
C59B H59E 0.9800 . ?
C59B H59F 0.9800 . ?
C37 C40B 1.497(18) . ?
C37 C39B 1.500(18) . ?
C37 C38B 1.512(17) . ?
C37 C38A 1.513(18) . ?
C37 C39A 1.518(18) . ?
C37 C40A 1.528(18) . ?
C38A H38A 0.9800 . ?
C38A H38B 0.9800 . ?
C38A H38C 0.9800 . ?
C39A H39A 0.9800 . ?
C39A H39B 0.9800 . ?
C39A H39C 0.9800 . ?
C40A H40A 0.9800 . ?
C40A H40B 0.9800 . ?
C40A H40C 0.9800 . ?
C38B H38D 0.9800 . ?
C38B H38E 0.9800 . ?
C38B H38F 0.9800 . ?
C39B H39D 0.9800 . ?
C39B H39E 0.9800 . ?
C39B H39F 0.9800 . ?
C40B H40D 0.9800 . ?
C40B H40E 0.9800 . ?
C40B H40F 0.9800 . ?
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
C21 P1 C1 C2 -19.9(11) . . . . ?
C41 P1 C1 C2 88.1(10) . . . . ?
Au1 P1 C1 C2 -144.9(8) . . . . ?
C21 P1 C1 C6 155.7(10) . . . . ?
C41 P1 C1 C6 -96.3(10) . . . . ?
Au1 P1 C1 C6 30.7(11) . . . . ?
C6 C1 C2 C3 0.2(19) . . . . ?
P1 C1 C2 C3 175.8(10) . . . . ?
C1 C2 C3 C4 -0.3(19) . . . . ?
C1 C2 C3 C13 -177.4(13) . . . . ?
C2 C3 C4 C5 -1(2) . . . . ?
C13 C3 C4 C5 176.1(14) . . . . ?
C3 C4 C5 C6 3(2) . . . . ?
C4 C5 C6 C1 -3(2) . . . . ?
C4 C5 C6 C7 178.2(13) . . . . ?
C2 C1 C6 C5 1.1(18) . . . . ?
P1 C1 C6 C5 -174.2(10) . . . . ?
C2 C1 C6 C7 -179.7(12) . . . . ?
P1 C1 C6 C7 5.0(18) . . . . ?
C5 C6 C7 C8 -131.7(14) . . . . ?
C1 C6 C7 C8 49.2(19) . . . . ?
C5 C6 C7 C12 44.9(17) . . . . ?
C1 C6 C7 C12 -134.2(13) . . . . ?
C12 C7 C8 C9 -3(2) . . . . ?
C6 C7 C8 C9 173.7(12) . . . . ?
C7 C8 C9 C10 1(2) . . . . ?
C8 C9 C10 C11 1(2) . . . . ?
C8 C9 C10 C17 -177.6(13) . . . . ?
C9 C10 C11 C12 -1(2) . . . . ?
C17 C10 C11 C12 177.5(14) . . . . ?
C10 C11 C12 C7 -1(2) . . . . ?
C8 C7 C12 C11 3(2) . . . . ?
C6 C7 C12 C11 -174.0(13) . . . . ?
C4 C3 C13 C16 53(2) . . . . ?
C2 C3 C13 C16 -129.8(16) . . . . ?
C4 C3 C13 C15 169.8(16) . . . . ?
C2 C3 C13 C15 -13(2) . . . . ?
C4 C3 C13 C14 -67(2) . . . . ?
C2 C3 C13 C14 109.8(17) . . . . ?
C11 C10 C17 C20 -46(2) . . . . ?
C9 C10 C17 C20 133.4(17) . . . . ?
C11 C10 C17 C18 70.6(17) . . . . ?
C9 C10 C17 C18 -110.6(16) . . . . ?
C11 C10 C17 C19 -167.9(14) . . . . ?
C9 C10 C17 C19 11.0(19) . . . . ?
C1 P1 C21 C26 90.7(11) . . . . ?
C41 P1 C21 C26 -19.0(11) . . . . ?
Au1 P1 C21 C26 -143.7(9) . . . . ?
C1 P1 C21 C22 -92.0(11) . . . . ?
C41 P1 C21 C22 158.2(10) . . . . ?
Au1 P1 C21 C22 33.5(11) . . . . ?
C26 C21 C22 C23 0.6(19) . . . . ?
P1 C21 C22 C23 -176.6(10) . . . . ?
C26 C21 C22 C27 -179.2(12) . . . . ?
P1 C21 C22 C27 3.6(19) . . . . ?
C21 C22 C23 C24 -2(2) . . . . ?
C27 C22 C23 C24 178.2(15) . . . . ?
C22 C23 C24 C25 -1(3) . . . . ?
C23 C24 C25 C26 4(2) . . . . ?
C23 C24 C25 C37 -179.8(15) . . . . ?
C22 C21 C26 C25 3.1(19) . . . . ?
P1 C21 C26 C25 -179.7(10) . . . . ?
C24 C25 C26 C21 -5(2) . . . . ?
C37 C25 C26 C21 178.5(13) . . . . ?
C23 C22 C27 C32 54.1(18) . . . . ?
C21 C22 C27 C32 -126.0(14) . . . . ?
C23 C22 C27 C28 -117.0(14) . . . . ?
C21 C22 C27 C28 62.9(18) . . . . ?
C32 C27 C28 C29 -0.4(18) . . . . ?
C22 C27 C28 C29 170.8(11) . . . . ?
C27 C28 C29 C30 -3(2) . . . . ?
C28 C29 C30 C31 5(2) . . . . ?
C28 C29 C30 C33 -172.6(13) . . . . ?
C29 C30 C31 C32 -3(2) . . . . ?
C33 C30 C31 C32 174.0(13) . . . . ?
C28 C27 C32 C31 1.5(19) . . . . ?
C22 C27 C32 C31 -169.8(12) . . . . ?
C30 C31 C32 C27 0(2) . . . . ?
C29 C30 C33 C36 115(2) . . . . ?
C31 C30 C33 C36 -62(3) . . . . ?
C29 C30 C33 C34 -7(2) . . . . ?
C31 C30 C33 C34 176.0(18) . . . . ?
C29 C30 C33 C35 -130(2) . . . . ?
C31 C30 C33 C35 53(2) . . . . ?
C21 P1 C41 C47 99.2(9) . . . . ?
C1 P1 C41 C47 -8.6(10) . . . . ?
Au1 P1 C41 C47 -136.1(7) . . . . ?
C21 P1 C41 C42 -80.7(10) . . . . ?
C1 P1 C41 C42 171.5(9) . . . . ?
Au1 P1 C41 C42 44.0(10) . . . . ?
C47 C41 C42 C44 -2.4(15) . . . . ?
P1 C41 C42 C44 177.4(8) . . . . ?
C47 C41 C42 C48 -179.6(10) . . . . ?
P1 C41 C42 C48 0.3(15) . . . . ?
C41 C42 C44 C45 1.4(17) . . . . ?
C48 C42 C44 C45 178.7(11) . . . . ?
C42 C44 C45 C46 0.5(19) . . . . ?
C44 C45 C46 C47 -1.3(17) . . . . ?
C44 C45 C46 C54 179.7(12) . . . . ?
C42 C41 C47 C46 1.7(16) . . . . ?
P1 C41 C47 C46 -178.2(8) . . . . ?
C45 C46 C47 C41 0.2(16) . . . . ?
C54 C46 C47 C41 179.2(11) . . . . ?
C41 C42 C48 C49 68.7(16) . . . . ?
C44 C42 C48 C49 -108.4(14) . . . . ?
C41 C42 C48 C53 -111.9(14) . . . . ?
C44 C42 C48 C53 71.0(16) . . . . ?
C53 C48 C49 C50 1(2) . . . . ?
C42 C48 C49 C50 -179.7(12) . . . . ?
C48 C49 C50 C51 -3(2) . . . . ?
C49 C50 C51 C52 3(2) . . . . ?
C49 C50 C51 C58 -179.9(13) . . . . ?
C50 C51 C52 C53 -1(2) . . . . ?
C58 C51 C52 C53 -178.2(14) . . . . ?
C51 C52 C53 C48 -1(3) . . . . ?
C49 C48 C53 C52 1(2) . . . . ?
C42 C48 C53 C52 -178.5(14) . . . . ?
C45 C46 C54 C55 174.3(14) . . . . ?
C47 C46 C54 C55 -4.6(18) . . . . ?
C45 C46 C54 C57 -61.5(17) . . . . ?
C47 C46 C54 C57 119.5(14) . . . . ?
C45 C46 C54 C56 55.7(16) . . . . ?
C47 C46 C54 C56 -123.2(13) . . . . ?
Au1 C62 C63 C64 115(6) . . . . ?
C104 P2 C65 C66 -25.9(11) . . . . ?
C84 P2 C65 C66 84.4(10) . . . . ?
Au2 P2 C65 C66 -147.5(8) . . . . ?
C104 P2 C65 C70 148.4(10) . . . . ?
C84 P2 C65 C70 -101.3(10) . . . . ?
Au2 P2 C65 C70 26.8(11) . . . . ?
C70 C65 C66 C67 -1.3(19) . . . . ?
P2 C65 C66 C67 173.2(10) . . . . ?
C65 C66 C67 C68 -1(2) . . . . ?
C65 C66 C67 C77 179.7(13) . . . . ?
C66 C67 C68 C69 1(2) . . . . ?
C77 C67 C68 C69 -179.5(15) . . . . ?
C67 C68 C69 C70 1(3) . . . . ?
C68 C69 C70 C65 -3(2) . . . . ?
C68 C69 C70 C71 178.8(14) . . . . ?
C66 C65 C70 C69 2.9(17) . . . . ?
P2 C65 C70 C69 -171.3(10) . . . . ?
C66 C65 C70 C71 -178.9(11) . . . . ?
P2 C65 C70 C71 6.8(17) . . . . ?
C69 C70 C71 C76 -122.9(14) . . . . ?
C65 C70 C71 C76 59.0(18) . . . . ?
C69 C70 C71 C72 53.9(17) . . . . ?
C65 C70 C71 C72 -124.3(14) . . . . ?
C76 C71 C72 C73 2(2) . . . . ?
C70 C71 C72 C73 -174.5(12) . . . . ?
C71 C72 C73 C74 0(2) . . . . ?
C72 C73 C74 C75 -3(2) . . . . ?
C72 C73 C74 C028 177.3(12) . . . . ?
C81 C028 C74 C75 -119.7(15) . . . . ?
C83 C028 C74 C75 3.2(18) . . . . ?
C82 C028 C74 C75 118.2(14) . . . . ?
C81 C028 C74 C73 60.1(17) . . . . ?
C83 C028 C74 C73 -177.1(12) . . . . ?
C82 C028 C74 C73 -62.0(15) . . . . ?
C73 C74 C75 C76 2.7(19) . . . . ?
C028 C74 C75 C76 -177.6(12) . . . . ?
C72 C71 C76 C75 -2.5(18) . . . . ?
C70 C71 C76 C75 174.2(11) . . . . ?
C74 C75 C76 C71 0.1(19) . . . . ?
C66 C67 C77 C80 -1(3) . . . . ?
C68 C67 C77 C80 179(2) . . . . ?
C66 C67 C77 C78 123(2) . . . . ?
C68 C67 C77 C78 -57(2) . . . . ?
C66 C67 C77 C79 -120(2) . . . . ?
C68 C67 C77 C79 60(2) . . . . ?
C104 P2 C84 C85 96.4(9) . . . . ?
C65 P2 C84 C85 -11.5(9) . . . . ?
Au2 P2 C84 C85 -139.7(7) . . . . ?
C104 P2 C84 C89 -85.9(10) . . . . ?
C65 P2 C84 C89 166.2(9) . . . . ?
Au2 P2 C84 C89 38.0(10) . . . . ?
C89 C84 C85 C86 2.6(16) . . . . ?
P2 C84 C85 C86 -179.6(9) . . . . ?
C84 C85 C86 C87 -2.5(18) . . . . ?
C84 C85 C86 C96 175.9(11) . . . . ?
C85 C86 C87 C88 1(2) . . . . ?
C96 C86 C87 C88 -177.7(14) . . . . ?
C86 C87 C88 C89 1(2) . . . . ?
C87 C88 C89 C84 -1(2) . . . . ?
C87 C88 C89 C90 177.9(13) . . . . ?
C85 C84 C89 C88 -0.7(16) . . . . ?
P2 C84 C89 C88 -178.3(9) . . . . ?
C85 C84 C89 C90 -179.6(11) . . . . ?
P2 C84 C89 C90 2.7(17) . . . . ?
C88 C89 C90 C95 -128.4(14) . . . . ?
C84 C89 C90 C95 50.6(18) . . . . ?
C88 C89 C90 C91 46.4(17) . . . . ?
C84 C89 C90 C91 -134.6(13) . . . . ?
C95 C90 C91 C92 2(2) . . . . ?
C89 C90 C91 C92 -172.6(13) . . . . ?
C90 C91 C92 C93 -5(2) . . . . ?
C91 C92 C93 C94 3(2) . . . . ?
C91 C92 C93 C100 -179.6(14) . . . . ?
C92 C93 C94 C95 1(2) . . . . ?
C100 C93 C94 C95 -176.5(13) . . . . ?
C91 C90 C95 C94 1.4(19) . . . . ?
C89 C90 C95 C94 176.3(12) . . . . ?
C93 C94 C95 C90 -3(2) . . . . ?
C87 C86 C96 C99 108.3(18) . . . . ?
C85 C86 C96 C99 -70.0(17) . . . . ?
C87 C86 C96 C98 -131.1(16) . . . . ?
C85 C86 C96 C98 50.6(18) . . . . ?
C87 C86 C96 C97 -11(2) . . . . ?
C85 C86 C96 C97 170.4(13) . . . . ?
C65 P2 C104 C109 95.0(10) . . . . ?
C84 P2 C104 C109 -16.2(10) . . . . ?
Au2 P2 C104 C109 -141.6(8) . . . . ?
C65 P2 C104 C105 -83.2(10) . . . . ?
C84 P2 C104 C105 165.5(9) . . . . ?
Au2 P2 C104 C105 40.2(10) . . . . ?
C109 C104 C105 C106 2.4(17) . . . . ?
P2 C104 C105 C106 -179.4(10) . . . . ?
C109 C104 C105 C110 -177.3(11) . . . . ?
P2 C104 C105 C110 0.9(16) . . . . ?
C104 C105 C106 C107 -4(2) . . . . ?
C110 C105 C106 C107 175.4(14) . . . . ?
C105 C106 C107 C108 3(2) . . . . ?
C106 C107 C108 C109 0(2) . . . . ?
C106 C107 C108 C116 -178.0(14) . . . . ?
C105 C104 C109 C108 0.8(18) . . . . ?
P2 C104 C109 C108 -177.4(10) . . . . ?
C107 C108 C109 C104 -2(2) . . . . ?
C116 C108 C109 C104 176.0(12) . . . . ?
C106 C105 C110 C111 -107.3(14) . . . . ?
C104 C105 C110 C111 72.4(16) . . . . ?
C106 C105 C110 C115 65.5(16) . . . . ?
C104 C105 C110 C115 -114.7(13) . . . . ?
C115 C110 C111 C112 1.0(17) . . . . ?
C105 C110 C111 C112 174.2(11) . . . . ?
C110 C111 C112 C113 -5.0(18) . . . . ?
C111 C112 C113 C114 6.1(17) . . . . ?
C111 C112 C113 C120 -173.0(11) . . . . ?
C112 C113 C114 C115 -3.5(17) . . . . ?
C120 C113 C114 C115 175.6(11) . . . . ?
C111 C110 C115 C114 1.5(17) . . . . ?
C105 C110 C115 C114 -171.7(11) . . . . ?
C113 C114 C115 C110 -0.3(18) . . . . ?
C109 C108 C116 C117 116.4(16) . . . . ?
C107 C108 C116 C117 -65.5(18) . . . . ?
C109 C108 C116 C119 -5(2) . . . . ?
C107 C108 C116 C119 173.3(16) . . . . ?
C109 C108 C116 C118 -121.9(15) . . . . ?
C107 C108 C116 C118 56.2(19) . . . . ?
C114 C113 C120 C123 -57.7(16) . . . . ?
C112 C113 C120 C123 121.3(13) . . . . ?
C114 C113 C120 C122 63.8(16) . . . . ?
C112 C113 C120 C122 -117.2(14) . . . . ?
C114 C113 C120 C121 -176.4(12) . . . . ?
C112 C113 C120 C121 2.6(18) . . . . ?
Au2 C124 C125 C126 -128(13) . . . . ?
C92 C93 C100 C1B 58(3) . . . . ?
C94 C93 C100 C1B -124(2) . . . . ?
C92 C93 C100 C1C -177(2) . . . . ?
C94 C93 C100 C1C 1(3) . . . . ?
C92 C93 C100 C101 -120.2(17) . . . . ?
C94 C93 C100 C101 57.2(19) . . . . ?
C92 C93 C100 C103 3(2) . . . . ?
C94 C93 C100 C103 -179.4(14) . . . . ?
C92 C93 C100 C102 121.6(16) . . . . ?
C94 C93 C100 C102 -61.0(17) . . . . ?
C92 C93 C100 C1A -59(2) . . . . ?
C94 C93 C100 C1A 118(2) . . . . ?
C50 C51 C58 C61A -68.3(17) . . . . ?
C52 C51 C58 C61A 108.5(17) . . . . ?
C50 C51 C58 C60B 118.0(19) . . . . ?
C52 C51 C58 C60B -65(2) . . . . ?
C50 C51 C58 C60A 52.6(17) . . . . ?
C52 C51 C58 C60A -130.6(16) . . . . ?
C50 C51 C58 C59B -123.3(19) . . . . ?
C52 C51 C58 C59B 53(2) . . . . ?
C50 C51 C58 C59A 171.3(14) . . . . ?
C52 C51 C58 C59A -11.9(19) . . . . ?
C50 C51 C58 C61B -1(2) . . . . ?
C52 C51 C58 C61B 175.7(19) . . . . ?
C24 C25 C37 C40B -60(2) . . . . ?
C26 C25 C37 C40B 115.8(17) . . . . ?
C24 C25 C37 C39B 59(2) . . . . ?
C26 C25 C37 C39B -125.0(16) . . . . ?
C24 C25 C37 C38B 176.9(18) . . . . ?
C26 C25 C37 C38B -7(2) . . . . ?
C24 C25 C37 C38A 129.2(18) . . . . ?
C26 C25 C37 C38A -55.1(19) . . . . ?
C24 C25 C37 C39A 7(2) . . . . ?
C26 C25 C37 C39A -177.1(15) . . . . ?
C24 C25 C37 C40A -114.3(19) . . . . ?
C26 C25 C37 C40A 61.4(18) . . . . ?
