#------------------------------------------------------------------------------
#$Date: 2021-01-04 18:45:06 +0100 (lun 04 de ene de 2021) $
#$Revision: 260459 $
#$URL: svn://www.crystallography.net/cod/cif/7/12/77/7127721.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_7127721
loop_
_publ_author_name
'Roesch, Saskia'
'Fermi, Valentina'
'Rominger, Frank'
'Herold-Mende, Christel'
'Romero-Nieto, Carlos'
_publ_section_title
;
 Gold(i) complexes based on six-membered phosphorus heterocycles as
 bio-active molecules against brain cancer.
;
_journal_issue                   93
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              14593
_journal_page_last               14596
_journal_paper_doi               10.1039/d0cc05761d
_journal_volume                  56
_journal_year                    2020
_chemical_formula_sum            'C21 H13 Au N P S2'
_chemical_formula_weight         571.38
_chemical_name_common            '3 in manuscript'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-05-05 deposited with the CCDC.	2020-10-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.2708(7)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.7527(3)
_cell_length_b                   18.7996(4)
_cell_length_c                   16.5300(4)
_cell_measurement_reflns_used    9894
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      25.91
_cell_measurement_theta_min      2.61
_cell_volume                     3763.20(15)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT-2014 (Sheldrick 2014)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II Quazar area detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0550
_diffrn_reflns_av_unetI/netI     0.0339
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            49491
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.186
_diffrn_reflns_theta_min         2.000
_diffrn_source                   'ImuS microsource'
_exptl_absorpt_coefficient_mu    8.130
_exptl_absorpt_correction_T_max  0.8131
_exptl_absorpt_correction_T_min  0.6807
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Sheldrick, G. M. (2008). SADABS. University of Göttingen, Germany.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.017
_exptl_crystal_description       brick
_exptl_crystal_F_000             2176
_exptl_crystal_size_max          0.096
_exptl_crystal_size_mid          0.079
_exptl_crystal_size_min          0.032
_refine_diff_density_max         2.668
_refine_diff_density_min         -1.739
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     599
_refine_ls_number_reflns         8362
_refine_ls_number_restraints     1386
_refine_ls_restrained_S_all      0.949
_refine_ls_R_factor_all          0.0643
_refine_ls_R_factor_gt           0.0386
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0432P)²+11.8718P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0867
_refine_ls_wR_factor_ref         0.0992
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5986
_reflns_number_total             8362
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc05761d2.cif
_cod_data_source_block           regu2
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7127721
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.509
_shelx_estimated_absorpt_t_max   0.781
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'
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 0.47209(2) 0.50041(2) 0.85087(2) 0.04653(9) Uani 1 1 d . . . . .
S1 S 0.62448(16) 0.50963(9) 0.97404(11) 0.0552(4) Uani 1 1 d . . . . .
C1 C 0.6870(7) 0.5781(4) 0.9454(5) 0.0598(19) Uani 1 1 d . . . . .
N1 N 0.7324(7) 0.6256(5) 0.9273(6) 0.094(2) Uani 1 1 d . . . . .
Au2 Au 0.55394(3) 0.34457(2) 0.85348(2) 0.05653(10) Uani 1 1 d . . . . .
S2 S 0.40560(18) 0.33472(10) 0.90626(14) 0.0636(5) Uani 1 1 d . . . . .
C2 C 0.3452(9) 0.2640(4) 0.8550(7) 0.083(3) Uani 1 1 d . . . . .
N2 N 0.2958(10) 0.2149(5) 0.8202(8) 0.143(4) Uani 1 1 d . . . . .
C11 C 0.3292(5) 0.4222(3) 0.6626(4) 0.0456(15) Uani 1 1 d . . . . .
C12 C 0.2720(7) 0.3611(4) 0.6681(5) 0.065(2) Uani 1 1 d . . . . .
H12 H 0.227343 0.360093 0.704576 0.078 Uiso 1 1 calc R U . . .
C13 C 0.2789(8) 0.3009(4) 0.6211(6) 0.080(3) Uani 1 1 d . . . . .
H13 H 0.240710 0.258692 0.626455 0.096 Uiso 1 1 calc R U . . .
C14 C 0.3407(9) 0.3031(5) 0.5673(6) 0.082(3) Uani 1 1 d . . . . .
H14 H 0.343080 0.262919 0.533048 0.098 Uiso 1 1 calc R U . . .
C15 C 0.3997(9) 0.3634(5) 0.5625(6) 0.083(3) Uani 1 1 d . . . . .
H15 H 0.443799 0.364202 0.525647 0.099 Uiso 1 1 calc R U . . .
C16 C 0.3955(7) 0.4228(4) 0.6107(5) 0.067(2) Uani 1 1 d . . . . .
H16 H 0.437953 0.463776 0.608046 0.080 Uiso 1 1 calc R U . . .
P1 P 0.3259(3) 0.49778(19) 0.7311(3) 0.0387(7) Uani 0.870(7) 1 d D U P A 1
C21 C 0.3177(7) 0.5743(5) 0.6642(6) 0.0445(19) Uani 0.870(7) 1 d D U P A 1
C22 C 0.4144(7) 0.6047(5) 0.6628(7) 0.0537(19) Uani 0.870(7) 1 d D U P A 1
H22 H 0.481589 0.589073 0.702814 0.064 Uiso 0.870(7) 1 calc R U P A 1
C23 C 0.4183(9) 0.6593(5) 0.6031(7) 0.059(2) Uani 0.870(7) 1 d D U P A 1
H23 H 0.486173 0.680163 0.603060 0.071 Uiso 0.870(7) 1 calc R U P A 1
C24 C 0.3215(10) 0.6796(4) 0.5473(6) 0.063(2) Uani 0.870(7) 1 d D U P A 1
H24 H 0.322232 0.715198 0.506663 0.076 Uiso 0.870(7) 1 calc R U P A 1
C25 C 0.2185(8) 0.6508(5) 0.5460(7) 0.0598(19) Uani 0.870(7) 1 d D U P A 1
C26 C 0.1199(9) 0.6719(5) 0.4839(6) 0.082(3) Uani 0.870(7) 1 d D U P A 1
H26 H 0.122501 0.705785 0.441992 0.099 Uiso 0.870(7) 1 calc R U P A 1
C27 C 0.0231(10) 0.6451(6) 0.4831(7) 0.095(3) Uani 0.870(7) 1 d D U P A 1
H27 H -0.042385 0.659490 0.440276 0.114 Uiso 0.870(7) 1 calc R U P A 1
C28 C 0.0169(9) 0.5950(8) 0.5459(8) 0.088(4) Uani 0.870(7) 1 d D U P A 1
H28 H -0.053201 0.576835 0.544420 0.106 Uiso 0.870(7) 1 calc R U P A 1
C29 C 0.1099(7) 0.5721(6) 0.6087(6) 0.059(2) Uani 0.870(7) 1 d D U P A 1
C30 C 0.2138(7) 0.5981(5) 0.6071(6) 0.0492(19) Uani 0.870(7) 1 d D U P A 1
C31 C 0.1918(6) 0.4959(5) 0.7423(6) 0.0475(18) Uani 0.870(7) 1 d D U P A 1
C32 C 0.1011(7) 0.5275(6) 0.6792(6) 0.059(2) Uani 0.870(7) 1 d D U P A 1
C33 C 0.0033(8) 0.5139(6) 0.6979(9) 0.090(3) Uani 0.870(7) 1 d D U P A 1
H33 H -0.067189 0.530152 0.663730 0.108 Uiso 0.870(7) 1 calc R U P A 1
S34 S 0.0240(3) 0.4655(2) 0.7876(3) 0.1083(15) Uani 0.870(7) 1 d D U P A 1
C35 C 0.1629(8) 0.4616(5) 0.8064(7) 0.063(2) Uani 0.870(7) 1 d D U P A 1
H35 H 0.213656 0.438999 0.854224 0.076 Uiso 0.870(7) 1 calc R U P A 1
C41 C 0.7018(6) 0.4180(4) 0.7336(5) 0.0518(17) Uani 1 1 d . . . . .
C42 C 0.6905(7) 0.4106(4) 0.6484(5) 0.069(2) Uani 1 1 d . . . . .
H42 H 0.681513 0.364814 0.622915 0.083 Uiso 1 1 calc R U . . .
C43 C 0.6925(8) 0.4712(4) 0.5997(5) 0.079(3) Uani 1 1 d . . . . .
H43 H 0.686177 0.466519 0.541157 0.095 Uiso 1 1 calc R U . . .
C44 C 0.7033(7) 0.5371(4) 0.6362(5) 0.066(2) Uani 1 1 d . . . . .
H44 H 0.701776 0.578195 0.602457 0.079 Uiso 1 1 calc R U . . .
C45 C 0.7165(6) 0.5440(4) 0.7208(5) 0.0561(18) Uani 1 1 d . . . . .
H45 H 0.726760 0.589806 0.746308 0.067 Uiso 1 1 calc R U . . .
C46 C 0.7148(6) 0.4847(4) 0.7698(5) 0.0578(18) Uani 1 1 d . . . . .
H46 H 0.722787 0.490043 0.828530 0.069 Uiso 1 1 calc R U . . .
P2 P 0.7022(3) 0.34554(16) 0.8075(2) 0.0443(7) Uani 0.749(6) 1 d D U P B 1
C51 C 0.7086(8) 0.2669(4) 0.7480(6) 0.048(2) Uani 0.749(6) 1 d D U P B 1
C52 C 0.6109(9) 0.2403(5) 0.6972(7) 0.056(2) Uani 0.749(6) 1 d D U P B 1
H52 H 0.544434 0.260269 0.701676 0.068 Uiso 0.749(6) 1 calc R U P B 1
C53 C 0.6029(10) 0.1840(6) 0.6377(7) 0.067(2) Uani 0.749(6) 1 d D U P B 1
H53 H 0.534095 0.164960 0.603979 0.080 Uiso 0.749(6) 1 calc R U P B 1
C54 C 0.6993(10) 0.1602(5) 0.6330(7) 0.056(2) Uani 0.749(6) 1 d D U P B 1
H54 H 0.697006 0.124403 0.591861 0.068 Uiso 0.749(6) 1 calc R U P B 1
C55 C 0.8066(9) 0.1841(5) 0.6850(6) 0.062(2) Uani 0.749(6) 1 d D U P B 1
C56 C 0.9078(10) 0.1559(6) 0.6805(8) 0.080(3) Uani 0.749(6) 1 d D U P B 1
H56 H 0.906266 0.117899 0.642243 0.097 Uiso 0.749(6) 1 calc R U P B 1
C57 C 1.0056(11) 0.1814(7) 0.7289(9) 0.093(4) Uani 0.749(6) 1 d D U P B 1
H57 H 1.071762 0.163703 0.721434 0.112 Uiso 0.749(6) 1 calc R U P B 1
C58 C 1.0114(9) 0.2339(6) 0.7906(8) 0.077(3) Uani 0.749(6) 1 d D U P B 1
H58 H 1.081404 0.250734 0.824978 0.093 Uiso 0.749(6) 1 calc R U P B 1
C59 C 0.9165(7) 0.2615(5) 0.8019(6) 0.054(2) Uani 0.749(6) 1 d D U P B 1
C60 C 0.8130(8) 0.2390(4) 0.7463(6) 0.0503(19) Uani 0.749(6) 1 d D U P B 1
C61 C 0.8359(8) 0.3486(5) 0.8844(7) 0.056(2) Uani 0.749(6) 1 d D U P B 1
C62 C 0.9250(8) 0.3113(5) 0.8720(6) 0.055(2) Uani 0.749(6) 1 d D U P B 1
C63 C 1.0260(9) 0.3261(8) 0.9368(8) 0.069(3) Uani 0.749(6) 1 d D U P B 1
H63 H 1.095594 0.306257 0.939841 0.083 Uiso 0.749(6) 1 calc R U P B 1
S64 S 1.0034(3) 0.3853(2) 1.0089(2) 0.0946(14) Uani 0.749(6) 1 d D U P B 1
C65 C 0.8654(9) 0.3905(6) 0.9573(7) 0.077(3) Uani 0.749(6) 1 d D U P B 1
H65 H 0.815151 0.418320 0.975855 0.092 Uiso 0.749(6) 1 calc R U P B 1
P1B P 0.340(2) 0.5065(16) 0.721(2) 0.049(8) Uiso 0.130(7) 1 d D U P A 2
C21B C 0.201(2) 0.503(4) 0.724(4) 0.055(10) Uiso 0.130(7) 1 d D U P A 2
C22B C 0.181(3) 0.460(4) 0.784(3) 0.060(12) Uiso 0.130(7) 1 d D U P A 2
H22B H 0.239911 0.431908 0.818855 0.072 Uiso 0.130(7) 1 calc R U P A 2
C23B C 0.075(3) 0.455(4) 0.796(3) 0.081(11) Uiso 0.130(7) 1 d D U P A 2
H23B H 0.065074 0.440688 0.848147 0.097 Uiso 0.130(7) 1 calc R U P A 2
C24B C -0.009(3) 0.474(3) 0.727(3) 0.063(11) Uiso 0.130(7) 1 d D U P A 2
H24B H -0.081464 0.461347 0.726220 0.075 Uiso 0.130(7) 1 calc R U P A 2
C25B C 0.003(2) 0.510(3) 0.655(3) 0.059(11) Uiso 0.130(7) 1 d D U P A 2
C26B C -0.087(3) 0.536(4) 0.587(3) 0.086(14) Uiso 0.130(7) 1 d D U P A 2
H26B H -0.160055 0.525440 0.586459 0.104 Uiso 0.130(7) 1 calc R U P A 2
C27B C -0.073(3) 0.576(4) 0.525(3) 0.090(15) Uiso 0.130(7) 1 d D U P A 2
H27B H -0.135440 0.590486 0.479345 0.108 Uiso 0.130(7) 1 calc R U P A 2
C28B C 0.033(3) 0.596(5) 0.524(4) 0.069(11) Uiso 0.130(7) 1 d D U P A 2
H28B H 0.041968 0.622766 0.477691 0.083 Uiso 0.130(7) 1 calc R U P A 2
C29B C 0.125(2) 0.575(4) 0.590(4) 0.050(9) Uiso 0.130(7) 1 d D U P A 2
C30B C 0.111(2) 0.530(4) 0.654(4) 0.060(10) Uiso 0.130(7) 1 d D U P A 2
C31B C 0.335(3) 0.579(4) 0.652(5) 0.047(10) Uiso 0.130(7) 1 d D U P A 2
C32B C 0.234(2) 0.604(4) 0.595(5) 0.049(9) Uiso 0.130(7) 1 d D U P A 2
C33B C 0.250(2) 0.662(4) 0.546(6) 0.057(10) Uiso 0.130(7) 1 d D U P A 2
H33B H 0.192806 0.686024 0.503939 0.068 Uiso 0.130(7) 1 calc R U P A 2
S34B S 0.386(2) 0.6812(13) 0.5713(16) 0.074(6) Uiso 0.130(7) 1 d D U P A 2
C35B C 0.425(3) 0.619(4) 0.650(5) 0.062(11) Uiso 0.130(7) 1 d D U P A 2
H35B H 0.498115 0.613297 0.687348 0.074 Uiso 0.130(7) 1 calc R U P A 2
P2B P 0.6841(9) 0.3312(6) 0.7817(7) 0.052(3) Uiso 0.251(6) 1 d D U P B 2
C51B C 0.8210(14) 0.3233(14) 0.8555(14) 0.046(6) Uiso 0.251(6) 1 d D U P B 2
C52B C 0.842(2) 0.3607(18) 0.9286(17) 0.061(8) Uiso 0.251(6) 1 d D U P B 2
H52B H 0.781756 0.382495 0.941374 0.073 Uiso 0.251(6) 1 calc R U P B 2
C53B C 0.950(2) 0.369(2) 0.988(2) 0.091(9) Uiso 0.251(6) 1 d D U P B 2
H53B H 0.964937 0.396256 1.038456 0.110 Uiso 0.251(6) 1 calc R U P B 2
C54B C 1.029(2) 0.335(3) 0.965(2) 0.075(9) Uiso 0.251(6) 1 d D U P B 2
H54B H 1.102247 0.338649 1.003430 0.090 Uiso 0.251(6) 1 calc R U P B 2
C55B C 1.0153(16) 0.2952(18) 0.8891(17) 0.077(7) Uiso 0.251(6) 1 d D U P B 2
C56B C 1.100(2) 0.2577(19) 0.869(2) 0.092(10) Uiso 0.251(6) 1 d D U P B 2
H56B H 1.171757 0.256085 0.910031 0.111 Uiso 0.251(6) 1 calc R U P B 2
C57B C 1.082(2) 0.225(2) 0.795(2) 0.098(10) Uiso 0.251(6) 1 d D U P B 2
H57B H 1.143177 0.209499 0.778374 0.118 Uiso 0.251(6) 1 calc R U P B 2
C58B C 0.9736(19) 0.211(2) 0.741(2) 0.085(8) Uiso 0.251(6) 1 d D U P B 2
H58B H 0.961788 0.181816 0.692345 0.102 Uiso 0.251(6) 1 calc R U P B 2
C59B C 0.8848(15) 0.2413(16) 0.7599(16) 0.056(7) Uiso 0.251(6) 1 d D U P B 2
C60B C 0.9056(15) 0.2843(16) 0.8334(16) 0.056(7) Uiso 0.251(6) 1 d D U P B 2
C61B C 0.6769(17) 0.2567(15) 0.7148(19) 0.055(7) Uiso 0.251(6) 1 d D U P B 2
C62B C 0.7723(14) 0.2223(14) 0.7087(16) 0.052(6) Uiso 0.251(6) 1 d D U P B 2
C63B C 0.7468(16) 0.1702(19) 0.644(2) 0.068(9) Uiso 0.251(6) 1 d D U P B 2
H63B H 0.799364 0.144424 0.625311 0.082 Uiso 0.251(6) 1 calc R U P B 2
S64B S 0.6084(9) 0.1610(6) 0.6034(7) 0.073(3) Uiso 0.251(6) 1 d D U P B 2
C65B C 0.5793(17) 0.2268(16) 0.664(2) 0.062(8) Uiso 0.251(6) 1 d D U P B 2
H65B H 0.507234 0.240842 0.662290 0.074 Uiso 0.251(6) 1 calc R U P B 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 '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
P1 Au1 S1 176.95(10) . . ?
P1B Au1 S1 169.5(6) . . ?
P1 Au1 Au2 99.98(9) . . ?
P1B Au1 Au2 101.9(8) . . ?
S1 Au1 Au2 82.76(4) . . ?
C1 S1 Au1 98.7(3) . . ?
N1 C1 S1 178.4(8) . . ?
P2 Au2 S2 175.35(8) . . ?
S2 Au2 P2B 166.6(3) . . ?
P2 Au2 Au1 107.59(8) . . ?
S2 Au2 Au1 76.76(5) . . ?
P2B Au2 Au1 112.5(3) . . ?
C2 S2 Au2 100.2(4) . . ?
N2 C2 S2 175.2(11) . . ?
C12 C11 C16 119.2(6) . . ?
C12 C11 P1 119.5(6) . . ?
C16 C11 P1 121.1(6) . . ?
C12 C11 P1B 129.8(10) . . ?
C16 C11 P1B 110.9(9) . . ?
C11 C12 C13 120.9(9) . . ?
C11 C12 H12 119.6 . . ?
C13 C12 H12 119.6 . . ?
C14 C13 C12 119.5(9) . . ?
C14 C13 H13 120.3 . . ?
C12 C13 H13 120.3 . . ?
C13 C14 C15 120.1(8) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C14 C15 C16 120.8(9) . . ?
C14 C15 H15 119.6 . . ?
C16 C15 H15 119.6 . . ?
C11 C16 C15 119.6(8) . . ?
C11 C16 H16 120.2 . . ?
C15 C16 H16 120.2 . . ?
C31 P1 C21 102.0(4) . . ?
C31 P1 C11 105.0(5) . . ?
C21 P1 C11 104.5(5) . . ?
C31 P1 Au1 117.8(4) . . ?
C21 P1 Au1 113.3(3) . . ?
C11 P1 Au1 112.9(2) . . ?
C22 C21 C30 120.7(7) . . ?
C22 C21 P1 117.8(6) . . ?
C30 C21 P1 121.2(6) . . ?
C21 C22 C23 122.5(8) . . ?
C21 C22 H22 118.8 . . ?
C23 C22 H22 118.8 . . ?
C24 C23 C22 116.9(8) . . ?
C24 C23 H23 121.6 . . ?
C22 C23 H23 121.6 . . ?
C23 C24 C25 123.4(8) . . ?
C23 C24 H24 118.3 . . ?
C25 C24 H24 118.3 . . ?
C26 C25 C24 121.1(9) . . ?
C26 C25 C30 119.0(9) . . ?
C24 C25 C30 119.9(8) . . ?
C27 C26 C25 121.0(10) . . ?
C27 C26 H26 119.5 . . ?
C25 C26 H26 119.5 . . ?
C26 C27 C28 120.6(10) . . ?
C26 C27 H27 119.7 . . ?
C28 C27 H27 119.7 . . ?
C29 C28 C27 121.7(11) . . ?
C29 C28 H28 119.2 . . ?
C27 C28 H28 119.2 . . ?
C28 C29 C30 117.8(9) . . ?
C28 C29 C32 121.0(9) . . ?
C30 C29 C32 121.0(7) . . ?
C29 C30 C25 119.8(7) . . ?
C29 C30 C21 123.7(7) . . ?
C25 C30 C21 116.5(8) . . ?
C35 C31 C32 114.0(7) . . ?
C35 C31 P1 125.7(6) . . ?
C32 C31 P1 120.2(6) . . ?
C33 C32 C31 109.7(8) . . ?
C33 C32 C29 125.1(8) . . ?
C31 C32 C29 125.1(7) . . ?
C32 C33 S34 112.8(7) . . ?
C32 C33 H33 123.6 . . ?
S34 C33 H33 123.6 . . ?
C33 S34 C35 92.9(5) . . ?
C31 C35 S34 110.6(7) . . ?
C31 C35 H35 124.7 . . ?
S34 C35 H35 124.7 . . ?
C42 C41 C46 119.6(6) . . ?
C42 C41 P2 125.9(6) . . ?
C46 C41 P2 114.5(6) . . ?
C42 C41 P2B 111.2(6) . . ?
C46 C41 P2B 129.0(7) . . ?
C41 C42 C43 119.5(7) . . ?
C41 C42 H42 120.3 . . ?
C43 C42 H42 120.3 . . ?
C44 C43 C42 120.1(8) . . ?
C44 C43 H43 119.9 . . ?
C42 C43 H43 119.9 . . ?
C45 C44 C43 120.2(7) . . ?
C45 C44 H44 119.9 . . ?
C43 C44 H44 119.9 . . ?
C44 C45 C46 120.4(7) . . ?
C44 C45 H45 119.8 . . ?
C46 C45 H45 119.8 . . ?
C41 C46 C45 120.2(7) . . ?
C41 C46 H46 119.9 . . ?
C45 C46 H46 119.9 . . ?
C61 P2 C51 102.7(4) . . ?
C61 P2 C41 104.8(4) . . ?
C51 P2 C41 103.9(4) . . ?
C61 P2 Au2 118.5(4) . . ?
C51 P2 Au2 111.5(3) . . ?
C41 P2 Au2 113.9(2) . . ?
C52 C51 C60 121.9(8) . . ?
C52 C51 P2 116.8(7) . . ?
C60 C51 P2 120.9(7) . . ?
C51 C52 C53 123.4(10) . . ?
C51 C52 H52 118.3 . . ?
C53 C52 H52 118.3 . . ?
C54 C53 C52 115.0(11) . . ?
C54 C53 H53 122.5 . . ?
C52 C53 H53 122.5 . . ?
C53 C54 C55 125.4(10) . . ?
C53 C54 H54 117.3 . . ?
C55 C54 H54 117.3 . . ?
C56 C55 C60 117.1(9) . . ?
C56 C55 C54 124.1(9) . . ?
C60 C55 C54 118.8(8) . . ?
C57 C56 C55 121.7(10) . . ?
C57 C56 H56 119.1 . . ?
C55 C56 H56 119.1 . . ?
C56 C57 C58 120.7(11) . . ?
C56 C57 H57 119.6 . . ?
C58 C57 H57 119.6 . . ?
C59 C58 C57 120.9(10) . . ?
C59 C58 H58 119.5 . . ?
C57 C58 H58 119.5 . . ?
C58 C59 C60 118.5(9) . . ?
C58 C59 C62 119.7(9) . . ?
C60 C59 C62 121.8(8) . . ?
C59 C60 C55 120.7(8) . . ?
C59 C60 C51 123.9(8) . . ?
C55 C60 C51 115.4(8) . . ?
C65 C61 C62 113.4(8) . . ?
C65 C61 P2 125.2(7) . . ?
C62 C61 P2 121.2(7) . . ?
C61 C62 C63 112.1(9) . . ?
C61 C62 C59 124.8(8) . . ?
C63 C62 C59 123.1(8) . . ?
C62 C63 S64 109.9(8) . . ?
C62 C63 H63 125.0 . . ?
S64 C63 H63 125.0 . . ?
C65 S64 C63 93.5(5) . . ?
C61 C65 S64 111.1(8) . . ?
C61 C65 H65 124.5 . . ?
S64 C65 H65 124.5 . . ?
C31B P1B C21B 102.1(16) . . ?
C31B P1B C11 111(4) . . ?
C21B P1B C11 94(3) . . ?
C31B P1B Au1 121(2) . . ?
C21B P1B Au1 114(2) . . ?
C11 P1B Au1 111.3(12) . . ?
C22B C21B C30B 121(2) . . ?
C22B C21B P1B 117.0(19) . . ?
C30B C21B P1B 120(2) . . ?
C21B C22B C23B 122(2) . . ?
C21B C22B H22B 118.8 . . ?
C23B C22B H22B 118.8 . . ?
C24B C23B C22B 114(2) . . ?
C24B C23B H23B 123.1 . . ?
C22B C23B H23B 123.1 . . ?
C23B C24B C25B 125(2) . . ?
C23B C24B H24B 117.6 . . ?
C25B C24B H24B 117.6 . . ?
C26B C25B C30B 116.8(18) . . ?
C26B C25B C24B 124(2) . . ?
C30B C25B C24B 118.9(19) . . ?
C27B C26B C25B 122(2) . . ?
C27B C26B H26B 119.0 . . ?
C25B C26B H26B 119.0 . . ?
C26B C27B C28B 122(2) . . ?
C26B C27B H27B 119.2 . . ?
C28B C27B H27B 119.2 . . ?
C29B C28B C27B 120(2) . . ?
C29B C28B H28B 120.2 . . ?
C27B C28B H28B 120.2 . . ?
C28B C29B C30B 118.7(18) . . ?
C28B C29B C32B 120(2) . . ?
C30B C29B C32B 121.5(19) . . ?
C29B C30B C25B 120.9(17) . . ?
C29B C30B C21B 123.6(18) . . ?
C25B C30B C21B 115.4(16) . . ?
C35B C31B C32B 113.6(17) . . ?
C35B C31B P1B 124.7(18) . . ?
C32B C31B P1B 121.7(17) . . ?
C31B C32B C33B 111.6(16) . . ?
C31B C32B C29B 124.6(18) . . ?
C33B C32B C29B 123.8(19) . . ?
C32B C33B S34B 110.3(15) . . ?
C32B C33B H33B 124.9 . . ?
S34B C33B H33B 124.9 . . ?
C33B S34B C35B 94.4(12) . . ?
C31B C35B S34B 109.9(16) . . ?
C31B C35B H35B 125.1 . . ?
S34B C35B H35B 125.1 . . ?
C61B P2B C51B 102.0(10) . . ?
C61B P2B C41 114.7(15) . . ?
C51B P2B C41 98.1(11) . . ?
C61B P2B Au2 119.7(11) . . ?
C51B P2B Au2 111.0(9) . . ?
C41 P2B Au2 108.9(5) . . ?
C52B C51B C60B 122.5(16) . . ?
C52B C51B P2B 116.3(14) . . ?
C60B C51B P2B 121.0(13) . . ?
C51B C52B C53B 123.1(19) . . ?
C51B C52B H52B 118.4 . . ?
C53B C52B H52B 118.4 . . ?
C54B C53B C52B 114(2) . . ?
C54B C53B H53B 123.0 . . ?
C52B C53B H53B 123.0 . . ?
C53B C54B C55B 127(2) . . ?
C53B C54B H54B 116.6 . . ?
C55B C54B H54B 116.6 . . ?
C56B C55B C54B 125.0(18) . . ?
C56B C55B C60B 116.5(17) . . ?
C54B C55B C60B 118.0(17) . . ?
C57B C56B C55B 122(2) . . ?
C57B C56B H56B 119.2 . . ?
C55B C56B H56B 119.2 . . ?
C56B C57B C58B 121(2) . . ?
C56B C57B H57B 119.4 . . ?
C58B C57B H57B 119.4 . . ?
C59B C58B C57B 119.5(19) . . ?
C59B C58B H58B 120.3 . . ?
C57B C58B H58B 120.3 . . ?
C58B C59B C60B 118.7(15) . . ?
C58B C59B C62B 119.6(16) . . ?
C60B C59B C62B 121.4(15) . . ?
C59B C60B C55B 121.2(14) . . ?
C59B C60B C51B 123.7(15) . . ?
C55B C60B C51B 115.1(14) . . ?
C65B C61B C62B 113.6(14) . . ?
C65B C61B P2B 124.4(14) . . ?
C62B C61B P2B 122.1(14) . . ?
C61B C62B C63B 112.0(14) . . ?
C61B C62B C59B 124.0(15) . . ?
C63B C62B C59B 123.9(15) . . ?
C62B C63B S64B 109.4(13) . . ?
C62B C63B H63B 125.3 . . ?
S64B C63B H63B 125.3 . . ?
C63B S64B C65B 95.1(10) . . ?
C61B C65B S64B 109.5(13) . . ?
C61B C65B H65B 125.2 . . ?
S64B C65B H65B 125.2 . . ?
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 2.254(3) . ?
Au1 P1B 2.28(3) . ?
Au1 S1 2.3391(18) . ?
Au1 Au2 3.1058(4) . ?
S1 C1 1.658(9) . ?
C1 N1 1.153(10) . ?
Au2 P2 2.248(3) . ?
Au2 S2 2.326(2) . ?
Au2 P2B 2.337(11) . ?
S2 C2 1.634(10) . ?
C2 N2 1.163(12) . ?
C11 C12 1.379(10) . ?
C11 C16 1.382(10) . ?
C11 P1 1.825(7) . ?
C11 P1B 1.83(4) . ?
C12 C13 1.391(10) . ?
C12 H12 0.9500 . ?
C13 C14 1.361(13) . ?
C13 H13 0.9500 . ?
C14 C15 1.377(14) . ?
C14 H14 0.9500 . ?
C15 C16 1.382(11) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
P1 C31 1.778(8) . ?
P1 C21 1.797(8) . ?
C21 C22 1.366(11) . ?
C21 C30 1.436(10) . ?
C22 C23 1.436(12) . ?
C22 H22 0.9500 . ?
C23 C24 1.345(15) . ?
C23 H23 0.9500 . ?
C24 C25 1.414(13) . ?
C24 H24 0.9500 . ?
C25 C26 1.408(12) . ?
C25 C30 1.430(11) . ?
C26 C27 1.329(14) . ?
C26 H26 0.9500 . ?
C27 C28 1.421(15) . ?
C27 H27 0.9500 . ?
C28 C29 1.378(11) . ?
C28 H28 0.9500 . ?
C29 C30 1.421(11) . ?
C29 C32 1.467(12) . ?
C31 C35 1.385(12) . ?
C31 C32 1.422(11) . ?
C32 C33 1.399(12) . ?
C33 S34 1.689(12) . ?
C33 H33 0.9500 . ?
S34 C35 1.701(10) . ?
C35 H35 0.9500 . ?
C41 C42 1.377(10) . ?
C41 C46 1.378(10) . ?
C41 P2 1.827(7) . ?
C41 P2B 1.858(13) . ?
C42 C43 1.400(10) . ?
C42 H42 0.9500 . ?
C43 C44 1.365(11) . ?
C43 H43 0.9500 . ?
C44 C45 1.362(11) . ?
C44 H44 0.9500 . ?
C45 C46 1.380(10) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
P2 C61 1.780(10) . ?
P2 C51 1.792(9) . ?
C51 C52 1.361(13) . ?
C51 C60 1.440(11) . ?
C52 C53 1.427(13) . ?
C52 H52 0.9500 . ?
C53 C54 1.333(14) . ?
C53 H53 0.9500 . ?
C54 C55 1.441(14) . ?
C54 H54 0.9500 . ?
C55 C56 1.420(13) . ?
C55 C60 1.430(11) . ?
C56 C57 1.342(15) . ?
C56 H56 0.9500 . ?
C57 C58 1.405(14) . ?
C57 H57 0.9500 . ?
C58 C59 1.381(12) . ?
C58 H58 0.9500 . ?
C59 C60 1.416(12) . ?
C59 C62 1.467(12) . ?
C61 C65 1.389(13) . ?
C61 C62 1.404(12) . ?
C62 C63 1.420(13) . ?
C63 S64 1.720(12) . ?
C63 H63 0.9500 . ?
S64 C65 1.701(11) . ?
C65 H65 0.9500 . ?
P1B C31B 1.768(16) . ?
P1B C21B 1.798(17) . ?
C21B C22B 1.359(19) . ?
C21B C30B 1.445(17) . ?
C22B C23B 1.43(2) . ?
C22B H22B 0.9500 . ?
C23B C24B 1.34(2) . ?
C23B H23B 0.9500 . ?
C24B C25B 1.430(19) . ?
C24B H24B 0.9500 . ?
C25B C26B 1.411(18) . ?
C25B C30B 1.426(17) . ?
C26B C27B 1.33(2) . ?
C26B H26B 0.9500 . ?
C27B C28B 1.41(2) . ?
C27B H27B 0.9500 . ?
C28B C29B 1.383(17) . ?
C28B H28B 0.9500 . ?
C29B C30B 1.415(17) . ?
C29B C32B 1.462(17) . ?
C31B C35B 1.386(19) . ?
C31B C32B 1.409(18) . ?
C32B C33B 1.414(19) . ?
C33B S34B 1.686(19) . ?
C33B H33B 0.9500 . ?
S34B C35B 1.699(18) . ?
C35B H35B 0.9500 . ?
P2B C61B 1.769(15) . ?
P2B C51B 1.795(15) . ?
C51B C52B 1.350(17) . ?
C51B C60B 1.442(16) . ?
C52B C53B 1.428(19) . ?
C52B H52B 0.9500 . ?
C53B C54B 1.34(2) . ?
C53B H53B 0.9500 . ?
C54B C55B 1.427(19) . ?
C54B H54B 0.9500 . ?
C55B C56B 1.413(18) . ?
C55B C60B 1.428(17) . ?
C56B C57B 1.327(19) . ?
C56B H56B 0.9500 . ?
C57B C58B 1.415(19) . ?
C57B H57B 0.9500 . ?
C58B C59B 1.385(17) . ?
C58B H58B 0.9500 . ?
C59B C60B 1.415(16) . ?
C59B C62B 1.464(16) . ?
C61B C65B 1.387(18) . ?
C61B C62B 1.409(17) . ?
C62B C63B 1.416(18) . ?
C63B S64B 1.688(18) . ?
C63B H63B 0.9500 . ?
S64B C65B 1.699(17) . ?
C65B H65B 0.9500 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C16 C11 C12 C13 -1.2(11) . . . . ?
P1 C11 C12 C13 -175.6(6) . . . . ?
P1B C11 C12 C13 -176.7(13) . . . . ?
C11 C12 C13 C14 -1.7(13) . . . . ?
C12 C13 C14 C15 2.8(14) . . . . ?
C13 C14 C15 C16 -1.2(14) . . . . ?
C12 C11 C16 C15 2.8(11) . . . . ?
P1 C11 C16 C15 177.1(6) . . . . ?
P1B C11 C16 C15 179.1(11) . . . . ?
C14 C15 C16 C11 -1.6(13) . . . . ?
C12 C11 P1 C31 -34.0(7) . . . . ?
C16 C11 P1 C31 151.7(6) . . . . ?
C12 C11 P1 C21 -140.9(6) . . . . ?
C16 C11 P1 C21 44.7(7) . . . . ?
C12 C11 P1 Au1 95.6(6) . . . . ?
C16 C11 P1 Au1 -78.8(6) . . . . ?
C31 P1 C21 C22 160.7(10) . . . . ?
C11 P1 C21 C22 -90.1(10) . . . . ?
Au1 P1 C21 C22 33.1(11) . . . . ?
C31 P1 C21 C30 -26.0(10) . . . . ?
C11 P1 C21 C30 83.1(10) . . . . ?
Au1 P1 C21 C30 -153.7(8) . . . . ?
C30 C21 C22 C23 -2.4(18) . . . . ?
P1 C21 C22 C23 170.9(8) . . . . ?
C21 C22 C23 C24 -0.3(15) . . . . ?
C22 C23 C24 C25 0.9(13) . . . . ?
C23 C24 C25 C26 -177.4(10) . . . . ?
C23 C24 C25 C30 1.2(16) . . . . ?
C24 C25 C26 C27 -179.5(11) . . . . ?
C30 C25 C26 C27 1.9(17) . . . . ?
C25 C26 C27 C28 0.9(19) . . . . ?
C26 C27 C28 C29 -1(2) . . . . ?
C27 C28 C29 C30 -2(2) . . . . ?
C27 C28 C29 C32 172.2(12) . . . . ?
C28 C29 C30 C25 5.1(17) . . . . ?
C32 C29 C30 C25 -169.6(11) . . . . ?
C28 C29 C30 C21 -174.7(12) . . . . ?
C32 C29 C30 C21 10.6(17) . . . . ?
C26 C25 C30 C29 -4.9(17) . . . . ?
C24 C25 C30 C29 176.5(10) . . . . ?
C26 C25 C30 C21 174.9(10) . . . . ?
C24 C25 C30 C21 -3.7(16) . . . . ?
C22 C21 C30 C29 -175.9(11) . . . . ?
P1 C21 C30 C29 11.1(16) . . . . ?
C22 C21 C30 C25 4.3(17) . . . . ?
P1 C21 C30 C25 -168.8(9) . . . . ?
C21 P1 C31 C35 -159.5(10) . . . . ?
C11 P1 C31 C35 91.7(10) . . . . ?
Au1 P1 C31 C35 -34.9(11) . . . . ?
C21 P1 C31 C32 24.9(10) . . . . ?
C11 P1 C31 C32 -83.8(9) . . . . ?
Au1 P1 C31 C32 149.6(8) . . . . ?
C35 C31 C32 C33 -1.3(14) . . . . ?
P1 C31 C32 C33 174.7(9) . . . . ?
C35 C31 C32 C29 174.4(10) . . . . ?
P1 C31 C32 C29 -9.5(15) . . . . ?
C28 C29 C32 C33 -11.1(19) . . . . ?
C30 C29 C32 C33 163.4(12) . . . . ?
C28 C29 C32 C31 173.8(12) . . . . ?
C30 C29 C32 C31 -11.6(17) . . . . ?
C31 C32 C33 S34 0.1(13) . . . . ?
C29 C32 C33 S34 -175.7(9) . . . . ?
C32 C33 S34 C35 0.9(10) . . . . ?
C32 C31 C35 S34 1.9(12) . . . . ?
P1 C31 C35 S34 -173.8(7) . . . . ?
C33 S34 C35 C31 -1.6(9) . . . . ?
C46 C41 C42 C43 0.0(13) . . . . ?
P2 C41 C42 C43 -179.6(7) . . . . ?
P2B C41 C42 C43 175.0(8) . . . . ?
C41 C42 C43 C44 -1.2(14) . . . . ?
C42 C43 C44 C45 2.4(14) . . . . ?
C43 C44 C45 C46 -2.3(13) . . . . ?
C42 C41 C46 C45 0.1(11) . . . . ?
P2 C41 C46 C45 179.7(6) . . . . ?
P2B C41 C46 C45 -173.9(7) . . . . ?
C44 C45 C46 C41 1.1(12) . . . . ?
C42 C41 P2 C61 116.9(8) . . . . ?
C46 C41 P2 C61 -62.7(7) . . . . ?
C42 C41 P2 C51 9.4(8) . . . . ?
C46 C41 P2 C51 -170.1(6) . . . . ?
C42 C41 P2 Au2 -112.1(7) . . . . ?
C46 C41 P2 Au2 68.3(6) . . . . ?
C61 P2 C51 C52 164.8(8) . . . . ?
C41 P2 C51 C52 -86.3(8) . . . . ?
Au2 P2 C51 C52 36.8(8) . . . . ?
C61 P2 C51 C60 -22.7(9) . . . . ?
C41 P2 C51 C60 86.2(8) . . . . ?
Au2 P2 C51 C60 -150.7(7) . . . . ?
C60 C51 C52 C53 -1.0(15) . . . . ?
P2 C51 C52 C53 171.4(8) . . . . ?
C51 C52 C53 C54 -2.1(15) . . . . ?
C52 C53 C54 C55 3.2(14) . . . . ?
C53 C54 C55 C56 177.6(11) . . . . ?
C53 C54 C55 C60 -1.3(14) . . . . ?
C60 C55 C56 C57 -2.8(18) . . . . ?
C54 C55 C56 C57 178.2(12) . . . . ?
C55 C56 C57 C58 5(2) . . . . ?
C56 C57 C58 C59 -1(2) . . . . ?
C57 C58 C59 C60 -4.0(17) . . . . ?
C57 C58 C59 C62 174.2(11) . . . . ?
C58 C59 C60 C55 5.7(14) . . . . ?
C62 C59 C60 C55 -172.5(8) . . . . ?
C58 C59 C60 C51 -176.0(10) . . . . ?
C62 C59 C60 C51 5.8(14) . . . . ?
C56 C55 C60 C59 -2.4(14) . . . . ?
C54 C55 C60 C59 176.6(8) . . . . ?
C56 C55 C60 C51 179.1(9) . . . . ?
C54 C55 C60 C51 -1.9(12) . . . . ?
C52 C51 C60 C59 -175.5(9) . . . . ?
P2 C51 C60 C59 12.4(13) . . . . ?
C52 C51 C60 C55 2.9(13) . . . . ?
P2 C51 C60 C55 -169.2(7) . . . . ?
C51 P2 C61 C65 -165.1(10) . . . . ?
C41 P2 C61 C65 86.6(11) . . . . ?
Au2 P2 C61 C65 -41.7(11) . . . . ?
C51 P2 C61 C62 20.0(10) . . . . ?
C41 P2 C61 C62 -88.3(9) . . . . ?
Au2 P2 C61 C62 143.4(7) . . . . ?
C65 C61 C62 C63 -1.0(14) . . . . ?
P2 C61 C62 C63 174.5(9) . . . . ?
C65 C61 C62 C59 177.9(10) . . . . ?
P2 C61 C62 C59 -6.7(14) . . . . ?
C58 C59 C62 C61 172.7(11) . . . . ?
C60 C59 C62 C61 -9.1(15) . . . . ?
C58 C59 C62 C63 -8.6(16) . . . . ?
C60 C59 C62 C63 169.6(11) . . . . ?
C61 C62 C63 S64 0.1(14) . . . . ?
C59 C62 C63 S64 -178.8(8) . . . . ?
C62 C63 S64 C65 0.6(11) . . . . ?
C62 C61 C65 S64 1.4(13) . . . . ?
P2 C61 C65 S64 -173.8(7) . . . . ?
C63 S64 C65 C61 -1.2(11) . . . . ?
C12 C11 P1B C31B -139.6(14) . . . . ?
C16 C11 P1B C31B 44.6(16) . . . . ?
C12 C11 P1B C21B -35.1(16) . . . . ?
C16 C11 P1B C21B 149.1(11) . . . . ?
C12 C11 P1B Au1 83.0(14) . . . . ?
C16 C11 P1B Au1 -92.8(11) . . . . ?
C31B P1B C21B C22B -169(8) . . . . ?
C11 P1B C21B C22B 79(7) . . . . ?
Au1 P1B C21B C22B -36(8) . . . . ?
C31B P1B C21B C30B 26(8) . . . . ?
C11 P1B C21B C30B -86(7) . . . . ?
Au1 P1B C21B C30B 159(6) . . . . ?
C30B C21B C22B C23B -18(13) . . . . ?
P1B C21B C22B C23B 177(7) . . . . ?
C21B C22B C23B C24B 24(11) . . . . ?
C22B C23B C24B C25B -14(11) . . . . ?
C23B C24B C25B C26B -172(8) . . . . ?
C23B C24B C25B C30B 0(11) . . . . ?
C30B C25B C26B C27B 2(11) . . . . ?
C24B C25B C26B C27B 174(7) . . . . ?
C25B C26B C27B C28B -2(13) . . . . ?
C26B C27B C28B C29B -1(15) . . . . ?
C27B C28B C29B C30B 5(15) . . . . ?
C27B C28B C29B C32B -172(9) . . . . ?
C28B C29B C30B C25B -6(14) . . . . ?
C32B C29B C30B C25B 171(9) . . . . ?
C28B C29B C30B C21B 177(10) . . . . ?
C32B C29B C30B C21B -6(14) . . . . ?
C26B C25B C30B C29B 2(12) . . . . ?
C24B C25B C30B C29B -170(8) . . . . ?
C26B C25B C30B C21B 180(7) . . . . ?
C24B C25B C30B C21B 7(11) . . . . ?
C22B C21B C30B C29B 179(9) . . . . ?
P1B C21B C30B C29B -16(13) . . . . ?
C22B C21B C30B C25B 2(13) . . . . ?
P1B C21B C30B C25B 167(7) . . . . ?
C21B P1B C31B C35B 157(10) . . . . ?
C11 P1B C31B C35B -104(10) . . . . ?
Au1 P1B C31B C35B 29(11) . . . . ?
C21B P1B C31B C32B -20(9) . . . . ?
C11 P1B C31B C32B 79(9) . . . . ?
Au1 P1B C31B C32B -148(7) . . . . ?
C35B C31B C32B C33B 4(14) . . . . ?
P1B C31B C32B C33B -179(8) . . . . ?
C35B C31B C32B C29B -174(10) . . . . ?
P1B C31B C32B C29B 3(15) . . . . ?
C28B C29B C32B C31B -170(10) . . . . ?
C30B C29B C32B C31B 13(15) . . . . ?
C28B C29B C32B C33B 12(16) . . . . ?
C30B C29B C32B C33B -165(11) . . . . ?
C31B C32B C33B S34B 0(12) . . . . ?
C29B C32B C33B S34B 178(8) . . . . ?
C32B C33B S34B C35B -3(10) . . . . ?
C32B C31B C35B S34B -6(12) . . . . ?
P1B C31B C35B S34B 177(6) . . . . ?
C33B S34B C35B C31B 5(10) . . . . ?
C42 C41 P2B C61B 8.6(11) . . . . ?
C46 C41 P2B C61B -176.9(10) . . . . ?
C42 C41 P2B C51B 115.9(9) . . . . ?
C46 C41 P2B C51B -69.7(11) . . . . ?
C42 C41 P2B Au2 -128.6(6) . . . . ?
C46 C41 P2B Au2 45.9(9) . . . . ?
C61B P2B C51B C52B -162(3) . . . . ?
C41 P2B C51B C52B 80(3) . . . . ?
Au2 P2B C51B C52B -34(3) . . . . ?
C61B P2B C51B C60B 23(3) . . . . ?
C41 P2B C51B C60B -94(3) . . . . ?
Au2 P2B C51B C60B 152(2) . . . . ?
C60B C51B C52B C53B 4(6) . . . . ?
P2B C51B C52B C53B -170(3) . . . . ?
C51B C52B C53B C54B -1(7) . . . . ?
C52B C53B C54B C55B 2(8) . . . . ?
C53B C54B C55B C56B -177(5) . . . . ?
C53B C54B C55B C60B -5(8) . . . . ?
C54B C55B C56B C57B -176(5) . . . . ?
C60B C55B C56B C57B 12(6) . . . . ?
C55B C56B C57B C58B -15(7) . . . . ?
C56B C57B C58B C59B 9(7) . . . . ?
C57B C58B C59B C60B 0(6) . . . . ?
C57B C58B C59B C62B -174(4) . . . . ?
C58B C59B C60B C55B -2(6) . . . . ?
C62B C59B C60B C55B 172(3) . . . . ?
C58B C59B C60B C51B 175(4) . . . . ?
C62B C59B C60B C51B -12(6) . . . . ?
C56B C55B C60B C59B -3(5) . . . . ?
C54B C55B C60B C59B -176(4) . . . . ?
C56B C55B C60B C51B 180(3) . . . . ?
C54B C55B C60B C51B 7(5) . . . . ?
C52B C51B C60B C59B 176(4) . . . . ?
P2B C51B C60B C59B -10(5) . . . . ?
C52B C51B C60B C55B -7(5) . . . . ?
P2B C51B C60B C55B 167(3) . . . . ?
C51B P2B C61B C65B 160(3) . . . . ?
C41 P2B C61B C65B -95(4) . . . . ?
Au2 P2B C61B C65B 37(4) . . . . ?
C51B P2B C61B C62B -20(4) . . . . ?
C41 P2B C61B C62B 85(3) . . . . ?
Au2 P2B C61B C62B -143(3) . . . . ?
C65B C61B C62B C63B 7(5) . . . . ?
P2B C61B C62B C63B -172(3) . . . . ?
C65B C61B C62B C59B -176(3) . . . . ?
P2B C61B C62B C59B 4(5) . . . . ?
C58B C59B C62B C61B -171(4) . . . . ?
C60B C59B C62B C61B 15(5) . . . . ?
C58B C59B C62B C63B 5(6) . . . . ?
C60B C59B C62B C63B -169(4) . . . . ?
C61B C62B C63B S64B -7(4) . . . . ?
C59B C62B C63B S64B 177(3) . . . . ?
C62B C63B S64B C65B 3(3) . . . . ?
C62B C61B C65B S64B -4(4) . . . . ?
P2B C61B C65B S64B 175(2) . . . . ?
C63B S64B C65B C61B 0(3) . . . . ?
