# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_007b-19021
_database_code_depnum_ccdc_archive 'CCDC 1897306'
loop_
_audit_author_name
_audit_author_address
'JESUSCM Campos'
;Universidad de Sevilla CSIC
Spain
;
_audit_update_record             
;
2019-02-14 deposited with the CCDC.	2019-05-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C38 H48 Au Cl3 F Ge P'
_chemical_formula_sum            'C38 H48 Au Cl3 F Ge P'
_chemical_formula_weight         930.64

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge -1.0885 0.8855 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_H-M_alt        'C c'
_space_group_name_Hall           'C -2yc'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'

_cell_length_a                   13.6626(3)
_cell_length_b                   22.0555(5)
_cell_length_c                   12.6148(3)
_cell_angle_alpha                90
_cell_angle_beta                 92.166(2)
_cell_angle_gamma                90
_cell_volume                     3798.57(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    37358
_cell_measurement_theta_min      3.7820
_cell_measurement_theta_max      66.5440

_exptl_crystal_description       Plate
_exptl_crystal_colour            Colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.627
_exptl_crystal_F_000             1848
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    10.703
_shelx_estimated_absorpt_T_min   0.223
_shelx_estimated_absorpt_T_max   0.617
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.54167
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
; 
CrysAlisPro 1.171.39.16b (Rigaku Oxford Diffraction, 2015) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'microfocus rotating anode'
_diffrn_measurement_device_type  'Rigaku Saturn 944+ CCD'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 22.2
_diffrn_reflns_number            67328
_diffrn_reflns_av_unetI/netI     0.0255
_diffrn_reflns_av_R_equivalents  0.0572
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.808
_diffrn_reflns_theta_max         66.598
_diffrn_reflns_theta_full        66.598
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6706
_reflns_number_gt                6470
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.994
_reflns_Friedel_fraction_max     0.998
_reflns_Friedel_fraction_full    0.998

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'CrysAlisPro 1.171.39.16b (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.16b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.16b (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'CIFTAB-2014/2 (Sheldrick, 2014)'
_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
  
The hydrogen atoms were first found in the difference map, then generated 
geometrically and refined as riding atoms with C-H distances = 0.95 - 0.99 
angstroms and Uiso(H) = 1.2 times Ueq(C) for CH and CH2 groups and Uiso(H) 
= 1.5 times Ueq(C) for CH3 groups. 

The fluorine of the fluorobenzene is disordered over two positions. The site
occupancies were freely refined and fixed near their converged values of 0.70/
0.30. Due to the small amount of electron density, the atomic displacement parameter
was constrained to the same value of the associated carbon.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0220P)²+6.3964P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     SHELXT
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
; 
 Flack x determined using 3097 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   -0.036(3)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         6706
_refine_ls_number_parameters     419
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0222
_refine_ls_R_factor_gt           0.0204
_refine_ls_wR_factor_ref         0.0464
_refine_ls_wR_factor_gt          0.0457
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      1.028
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.71967(2) 0.28278(2) 0.09322(2) 0.02027(6) Uani 1 1 d . . . . .
Ge1 Ge 0.68171(5) 0.20857(3) -0.04013(6) 0.02266(16) Uani 1 1 d . . . . .
Cl1 Cl 0.76705(15) 0.12477(8) -0.04557(15) 0.0336(4) Uani 1 1 d . . . . .
Cl2 Cl 0.53222(12) 0.17359(7) -0.04830(13) 0.0337(4) Uani 1 1 d . . . . .
Cl3 Cl 0.69612(12) 0.23978(7) -0.20361(12) 0.0313(3) Uani 1 1 d . . . . .
P1 P 0.76503(11) 0.36306(6) 0.20108(12) 0.0196(3) Uani 1 1 d . . . . .
C00N C 0.8958(5) 0.3748(3) 0.1909(5) 0.0304(14) Uani 1 1 d . . . . .
H00A H 0.9314 0.3417 0.2269 0.046 Uiso 1 1 calc R U . . .
H00B H 0.9143 0.4135 0.2244 0.046 Uiso 1 1 calc R U . . .
H00C H 0.9122 0.3757 0.1160 0.046 Uiso 1 1 calc R U . . .
C1 C 0.7472(4) 0.3532(2) 0.3438(4) 0.0187(11) Uani 1 1 d . . . . .
C2 C 0.7367(4) 0.2930(2) 0.3809(5) 0.0202(12) Uani 1 1 d . . . . .
C3 C 0.7414(5) 0.2822(3) 0.4903(5) 0.0259(13) Uani 1 1 d . . . . .
H3 H 0.7361 0.2418 0.5155 0.031 Uiso 1 1 calc R U . . .
C4 C 0.7535(5) 0.3288(3) 0.5622(5) 0.0288(14) Uani 1 1 d . . . . .
H4 H 0.7596 0.3204 0.6361 0.035 Uiso 1 1 calc R U . . .
C5 C 0.7567(4) 0.3883(3) 0.5258(5) 0.0236(13) Uani 1 1 d . . . . .
H5 H 0.7607 0.4206 0.5756 0.028 Uiso 1 1 calc R U . . .
C6 C 0.7542(4) 0.4016(2) 0.4177(5) 0.0202(12) Uani 1 1 d . . . . .
C7 C 0.7099(4) 0.2386(2) 0.3135(5) 0.0190(11) Uani 1 1 d . . . . .
C8 C 0.6095(4) 0.2261(2) 0.2913(5) 0.0219(12) Uani 1 1 d . . . . .
C9 C 0.5834(4) 0.1719(3) 0.2406(5) 0.0253(13) Uani 1 1 d . . . . .
H9 H 0.5163 0.1633 0.2247 0.030 Uiso 1 1 calc R U . . .
C10 C 0.6543(5) 0.1306(3) 0.2132(6) 0.0266(16) Uani 1 1 d . . . . .
H10 H 0.6355 0.0939 0.1789 0.032 Uiso 1 1 calc R U . . .
C11 C 0.7524(4) 0.1424(3) 0.2351(5) 0.0236(12) Uani 1 1 d . . . . .
H11 H 0.8003 0.1136 0.2159 0.028 Uiso 1 1 calc R U . . .
C12 C 0.7820(4) 0.1963(3) 0.2854(5) 0.0217(12) Uani 1 1 d . . . . .
C13 C 0.5287(5) 0.2697(3) 0.3222(6) 0.0301(14) Uani 1 1 d . . . . .
H13 H 0.5609 0.3054 0.3578 0.036 Uiso 1 1 calc R U . . .
C14 C 0.4697(5) 0.2935(3) 0.2247(7) 0.0464(19) Uani 1 1 d . . . . .
H14A H 0.4379 0.2594 0.1874 0.070 Uiso 1 1 calc R U . . .
H14B H 0.5138 0.3141 0.1771 0.070 Uiso 1 1 calc R U . . .
H14C H 0.4198 0.3220 0.2476 0.070 Uiso 1 1 calc R U . . .
C15 C 0.4612(6) 0.2405(4) 0.4023(7) 0.0464(19) Uani 1 1 d . . . . .
H15A H 0.4122 0.2701 0.4234 0.070 Uiso 1 1 calc R U . . .
H15B H 0.5002 0.2274 0.4649 0.070 Uiso 1 1 calc R U . . .
H15C H 0.4282 0.2054 0.3696 0.070 Uiso 1 1 calc R U . . .
C16 C 0.8902(4) 0.2077(3) 0.3064(5) 0.0258(13) Uani 1 1 d . . . . .
H16 H 0.8979 0.2515 0.3261 0.031 Uiso 1 1 calc R U . . .
C016 C 0.7113(6) 0.4323(3) 0.1485(5) 0.0354(16) Uani 1 1 d . . . . .
H01A H 0.7254 0.4360 0.0732 0.053 Uiso 1 1 calc R U . . .
H01B H 0.7392 0.4671 0.1874 0.053 Uiso 1 1 calc R U . . .
H01C H 0.6403 0.4313 0.1565 0.053 Uiso 1 1 calc R U . . .
C17 C 0.9497(5) 0.1970(4) 0.2069(6) 0.0424(18) Uani 1 1 d . . . . .
H17A H 0.9480 0.1538 0.1887 0.064 Uiso 1 1 calc R U . . .
H17B H 1.0177 0.2096 0.2211 0.064 Uiso 1 1 calc R U . . .
H17C H 0.9213 0.2206 0.1477 0.064 Uiso 1 1 calc R U . . .
C18 C 0.9302(5) 0.1702(3) 0.4005(6) 0.0367(16) Uani 1 1 d . . . . .
H18A H 0.9186 0.1270 0.3864 0.055 Uiso 1 1 calc R U . . .
H18B H 0.8969 0.1821 0.4648 0.055 Uiso 1 1 calc R U . . .
H18C H 1.0007 0.1774 0.4107 0.055 Uiso 1 1 calc R U . . .
C19 C 0.7514(4) 0.4679(2) 0.3893(5) 0.0205(12) Uani 1 1 d . . . . .
C20 C 0.6588(4) 0.4954(3) 0.3709(5) 0.0221(12) Uani 1 1 d . . . . .
C21 C 0.6555(5) 0.5576(3) 0.3496(5) 0.0288(14) Uani 1 1 d . . . . .
H21 H 0.5939 0.5766 0.3358 0.035 Uiso 1 1 calc R U . . .
C22 C 0.7400(5) 0.5920(3) 0.3483(5) 0.0296(14) Uani 1 1 d . . . . .
H22 H 0.7363 0.6341 0.3332 0.036 Uiso 1 1 calc R U . . .
C23 C 0.8306(4) 0.5647(3) 0.3692(5) 0.0247(13) Uani 1 1 d . . . . .
H23 H 0.8884 0.5886 0.3688 0.030 Uiso 1 1 calc R U . . .
C24 C 0.8379(4) 0.5024(2) 0.3909(4) 0.0203(12) Uani 1 1 d . . . . .
C25 C 0.5639(4) 0.4597(3) 0.3783(5) 0.0312(14) Uani 1 1 d . . . . .
H25 H 0.5793 0.4161 0.3646 0.037 Uiso 1 1 calc R U . . .
C26 C 0.4829(5) 0.4788(4) 0.2973(6) 0.0434(18) Uani 1 1 d . . . . .
H26A H 0.4620 0.5203 0.3126 0.065 Uiso 1 1 calc R U . . .
H26B H 0.4270 0.4513 0.3020 0.065 Uiso 1 1 calc R U . . .
H26C H 0.5081 0.4771 0.2256 0.065 Uiso 1 1 calc R U . . .
C27 C 0.5257(5) 0.4641(4) 0.4908(6) 0.0416(17) Uani 1 1 d . . . . .
H27A H 0.5766 0.4503 0.5421 0.062 Uiso 1 1 calc R U . . .
H27B H 0.4675 0.4385 0.4962 0.062 Uiso 1 1 calc R U . . .
H27C H 0.5086 0.5063 0.5060 0.062 Uiso 1 1 calc R U . . .
C28 C 0.9377(4) 0.4753(2) 0.4187(5) 0.0217(12) Uani 1 1 d . . . . .
H28 H 0.9330 0.4306 0.4058 0.026 Uiso 1 1 calc R U . . .
C29 C 1.0190(5) 0.4994(3) 0.3517(5) 0.0312(15) Uani 1 1 d . . . . .
H29A H 0.9982 0.4975 0.2766 0.047 Uiso 1 1 calc R U . . .
H29B H 1.0780 0.4746 0.3638 0.047 Uiso 1 1 calc R U . . .
H29C H 1.0333 0.5415 0.3715 0.047 Uiso 1 1 calc R U . . .
C30 C 0.9662(5) 0.4843(3) 0.5360(5) 0.0333(15) Uani 1 1 d . . . . .
H30A H 0.9711 0.5277 0.5515 0.050 Uiso 1 1 calc R U . . .
H30B H 1.0295 0.4648 0.5521 0.050 Uiso 1 1 calc R U . . .
H30C H 0.9161 0.4661 0.5796 0.050 Uiso 1 1 calc R U . . .
F1B F 0.7866(4) 0.0341(2) 0.4163(4) 0.0386(13) Uani 0.7 1 d . . P A 1
F1A F 0.5908(9) 0.1668(5) 0.5838(11) 0.0386(15) Uani 0.3 1 d . . P B 2
C31 C 0.6495(5) 0.1235(3) 0.5943(6) 0.0386(15) Uani 1 1 d . . . . .
H31 H 0.6104 0.1592 0.5939 0.046 Uiso 0.7 1 calc R U P B 1
C32 C 0.6887(5) 0.1044(3) 0.5017(5) 0.0344(15) Uani 1 1 d . . . . .
H32 H 0.6767 0.1258 0.4372 0.041 Uiso 1 1 calc R U . . .
C33 C 0.7461(6) 0.0532(3) 0.5051(6) 0.0337(18) Uani 1 1 d . . . . .
H33 H 0.7734 0.0392 0.4414 0.040 Uiso 0.3 1 calc R U P A 2
C34 C 0.7652(5) 0.0216(3) 0.5977(6) 0.0351(16) Uani 1 1 d . . . . .
H34 H 0.8063 -0.0131 0.5984 0.042 Uiso 1 1 calc R U . . .
C35 C 0.7237(6) 0.0413(3) 0.6889(6) 0.0344(18) Uani 1 1 d . . . . .
H35 H 0.7350 0.0197 0.7534 0.041 Uiso 1 1 calc R U . . .
C36 C 0.6651(5) 0.0927(3) 0.6865(6) 0.0326(15) Uani 1 1 d . . . . .
H36 H 0.6360 0.1064 0.7494 0.039 Uiso 1 1 calc R U . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 P1 2.3038(14) . ?
Au1 Ge1 2.3899(7) . ?
Ge1 Cl2 2.1821(17) . ?
Ge1 Cl1 2.1876(18) . ?
Ge1 Cl3 2.1900(17) . ?
P1 C016 1.809(6) . ?
P1 C00N 1.814(6) . ?
P1 C1 1.839(6) . ?
C00N H00A 0.9800 . ?
C00N H00B 0.9800 . ?
C00N H00C 0.9800 . ?
C1 C6 1.417(8) . ?
C1 C2 1.417(8) . ?
C2 C3 1.400(8) . ?
C2 C7 1.508(8) . ?
C3 C4 1.376(9) . ?
C3 H3 0.9500 . ?
C4 C5 1.393(8) . ?
C4 H4 0.9500 . ?
C5 C6 1.394(8) . ?
C5 H5 0.9500 . ?
C6 C19 1.507(7) . ?
C7 C12 1.412(8) . ?
C7 C8 1.417(8) . ?
C8 C9 1.396(8) . ?
C8 C13 1.526(8) . ?
C9 C10 1.383(9) . ?
C9 H9 0.9500 . ?
C10 C11 1.383(9) . ?
C10 H10 0.9500 . ?
C11 C12 1.399(8) . ?
C11 H11 0.9500 . ?
C12 C16 1.513(8) . ?
C13 C15 1.535(9) . ?
C13 C14 1.537(10) . ?
C13 H13 1.0000 . ?
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 C18 1.532(9) . ?
C16 C17 1.538(9) . ?
C16 H16 1.0000 . ?
C016 H01A 0.9800 . ?
C016 H01B 0.9800 . ?
C016 H01C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C24 1.405(8) . ?
C19 C20 1.413(8) . ?
C20 C21 1.399(9) . ?
C20 C25 1.523(8) . ?
C21 C22 1.381(9) . ?
C21 H21 0.9500 . ?
C22 C23 1.393(9) . ?
C22 H22 0.9500 . ?
C23 C24 1.403(8) . ?
C23 H23 0.9500 . ?
C24 C28 1.519(8) . ?
C25 C27 1.534(9) . ?
C25 C26 1.536(9) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C29 1.517(8) . ?
C28 C30 1.528(9) . ?
C28 H28 1.0000 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
F1B C33 1.336(9) . ?
F1A C31 1.250(14) . ?
C31 C36 1.357(10) . ?
C31 C32 1.370(10) . ?
C31 H31 0.9500 . ?
C32 C33 1.374(10) . ?
C32 H32 0.9500 . ?
C33 C34 1.377(10) . ?
C33 H33 0.9500 . ?
C34 C35 1.372(10) . ?
C34 H34 0.9500 . ?
C35 C36 1.388(10) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Au1 Ge1 171.30(4) . . ?
Cl2 Ge1 Cl1 101.47(7) . . ?
Cl2 Ge1 Cl3 100.60(7) . . ?
Cl1 Ge1 Cl3 99.73(7) . . ?
Cl2 Ge1 Au1 116.95(6) . . ?
Cl1 Ge1 Au1 119.93(6) . . ?
Cl3 Ge1 Au1 115.00(5) . . ?
C016 P1 C00N 103.9(3) . . ?
C016 P1 C1 113.0(3) . . ?
C00N P1 C1 104.7(3) . . ?
C016 P1 Au1 109.6(2) . . ?
C00N P1 Au1 108.2(2) . . ?
C1 P1 Au1 116.42(18) . . ?
P1 C00N H00A 109.5 . . ?
P1 C00N H00B 109.5 . . ?
H00A C00N H00B 109.5 . . ?
P1 C00N H00C 109.5 . . ?
H00A C00N H00C 109.5 . . ?
H00B C00N H00C 109.5 . . ?
C6 C1 C2 119.5(5) . . ?
C6 C1 P1 123.2(4) . . ?
C2 C1 P1 116.9(4) . . ?
C3 C2 C1 118.9(5) . . ?
C3 C2 C7 114.9(5) . . ?
C1 C2 C7 125.8(5) . . ?
C4 C3 C2 121.6(5) . . ?
C4 C3 H3 119.2 . . ?
C2 C3 H3 119.2 . . ?
C3 C4 C5 119.3(6) . . ?
C3 C4 H4 120.3 . . ?
C5 C4 H4 120.3 . . ?
C4 C5 C6 121.4(5) . . ?
C4 C5 H5 119.3 . . ?
C6 C5 H5 119.3 . . ?
C5 C6 C1 119.0(5) . . ?
C5 C6 C19 115.8(5) . . ?
C1 C6 C19 125.0(5) . . ?
C12 C7 C8 120.1(5) . . ?
C12 C7 C2 120.7(5) . . ?
C8 C7 C2 118.6(5) . . ?
C9 C8 C7 119.0(5) . . ?
C9 C8 C13 118.8(5) . . ?
C7 C8 C13 122.2(5) . . ?
C10 C9 C8 120.6(6) . . ?
C10 C9 H9 119.7 . . ?
C8 C9 H9 119.7 . . ?
C11 C10 C9 120.6(6) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C10 C11 C12 120.7(6) . . ?
C10 C11 H11 119.6 . . ?
C12 C11 H11 119.6 . . ?
C11 C12 C7 118.9(5) . . ?
C11 C12 C16 119.0(5) . . ?
C7 C12 C16 122.1(5) . . ?
C8 C13 C15 111.2(5) . . ?
C8 C13 C14 111.9(6) . . ?
C15 C13 C14 111.1(7) . . ?
C8 C13 H13 107.5 . . ?
C15 C13 H13 107.5 . . ?
C14 C13 H13 107.5 . . ?
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 . . ?
C12 C16 C18 111.3(5) . . ?
C12 C16 C17 112.0(5) . . ?
C18 C16 C17 111.4(5) . . ?
C12 C16 H16 107.3 . . ?
C18 C16 H16 107.3 . . ?
C17 C16 H16 107.3 . . ?
P1 C016 H01A 109.5 . . ?
P1 C016 H01B 109.5 . . ?
H01A C016 H01B 109.5 . . ?
P1 C016 H01C 109.5 . . ?
H01A C016 H01C 109.5 . . ?
H01B C016 H01C 109.5 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C24 C19 C20 121.1(5) . . ?
C24 C19 C6 120.6(5) . . ?
C20 C19 C6 118.0(5) . . ?
C21 C20 C19 118.3(5) . . ?
C21 C20 C25 119.8(5) . . ?
C19 C20 C25 121.8(5) . . ?
C22 C21 C20 121.2(6) . . ?
C22 C21 H21 119.4 . . ?
C20 C21 H21 119.4 . . ?
C21 C22 C23 119.9(5) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C22 C23 C24 121.0(6) . . ?
C22 C23 H23 119.5 . . ?
C24 C23 H23 119.5 . . ?
C23 C24 C19 118.3(5) . . ?
C23 C24 C28 119.2(5) . . ?
C19 C24 C28 122.5(5) . . ?
C20 C25 C27 110.1(5) . . ?
C20 C25 C26 114.3(6) . . ?
C27 C25 C26 109.7(5) . . ?
C20 C25 H25 107.5 . . ?
C27 C25 H25 107.5 . . ?
C26 C25 H25 107.5 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C29 C28 C24 113.7(5) . . ?
C29 C28 C30 109.2(5) . . ?
C24 C28 C30 111.4(5) . . ?
C29 C28 H28 107.4 . . ?
C24 C28 H28 107.4 . . ?
C30 C28 H28 107.4 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
F1A C31 C36 123.5(9) . . ?
F1A C31 C32 114.6(9) . . ?
C36 C31 C32 121.5(7) . . ?
C36 C31 H31 119.3 . . ?
C32 C31 H31 119.3 . . ?
C31 C32 C33 117.9(7) . . ?
C31 C32 H32 121.0 . . ?
C33 C32 H32 121.0 . . ?
F1B C33 C32 119.1(7) . . ?
F1B C33 C34 118.8(7) . . ?
C32 C33 C34 122.1(7) . . ?
C32 C33 H33 119.0 . . ?
C34 C33 H33 119.0 . . ?
C35 C34 C33 118.8(6) . . ?
C35 C34 H34 120.6 . . ?
C33 C34 H34 120.6 . . ?
C34 C35 C36 119.7(7) . . ?
C34 C35 H35 120.2 . . ?
C36 C35 H35 120.2 . . ?
C31 C36 C35 120.0(7) . . ?
C31 C36 H36 120.0 . . ?
C35 C36 H36 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C016 P1 C1 C6 -39.8(6) . . . . ?
C00N P1 C1 C6 72.6(5) . . . . ?
Au1 P1 C1 C6 -168.0(4) . . . . ?
C016 P1 C1 C2 147.3(5) . . . . ?
C00N P1 C1 C2 -100.3(5) . . . . ?
Au1 P1 C1 C2 19.0(5) . . . . ?
C6 C1 C2 C3 -5.1(8) . . . . ?
P1 C1 C2 C3 168.2(4) . . . . ?
C6 C1 C2 C7 168.0(5) . . . . ?
P1 C1 C2 C7 -18.7(7) . . . . ?
C1 C2 C3 C4 1.6(9) . . . . ?
C7 C2 C3 C4 -172.2(6) . . . . ?
C2 C3 C4 C5 3.0(10) . . . . ?
C3 C4 C5 C6 -4.1(10) . . . . ?
C4 C5 C6 C1 0.6(9) . . . . ?
C4 C5 C6 C19 176.1(6) . . . . ?
C2 C1 C6 C5 4.0(8) . . . . ?
P1 C1 C6 C5 -168.8(4) . . . . ?
C2 C1 C6 C19 -171.1(5) . . . . ?
P1 C1 C6 C19 16.2(8) . . . . ?
C3 C2 C7 C12 -83.6(7) . . . . ?
C1 C2 C7 C12 103.0(7) . . . . ?
C3 C2 C7 C8 87.7(7) . . . . ?
C1 C2 C7 C8 -85.6(7) . . . . ?
C12 C7 C8 C9 -0.7(8) . . . . ?
C2 C7 C8 C9 -172.1(5) . . . . ?
C12 C7 C8 C13 178.7(5) . . . . ?
C2 C7 C8 C13 7.3(8) . . . . ?
C7 C8 C9 C10 0.7(9) . . . . ?
C13 C8 C9 C10 -178.7(6) . . . . ?
C8 C9 C10 C11 -0.3(10) . . . . ?
C9 C10 C11 C12 -0.1(10) . . . . ?
C10 C11 C12 C7 0.1(9) . . . . ?
C10 C11 C12 C16 -179.0(6) . . . . ?
C8 C7 C12 C11 0.3(8) . . . . ?
C2 C7 C12 C11 171.5(5) . . . . ?
C8 C7 C12 C16 179.4(5) . . . . ?
C2 C7 C12 C16 -9.4(8) . . . . ?
C9 C8 C13 C15 62.2(8) . . . . ?
C7 C8 C13 C15 -117.2(7) . . . . ?
C9 C8 C13 C14 -62.7(7) . . . . ?
C7 C8 C13 C14 118.0(7) . . . . ?
C11 C12 C16 C18 -76.1(7) . . . . ?
C7 C12 C16 C18 104.8(6) . . . . ?
C11 C12 C16 C17 49.2(8) . . . . ?
C7 C12 C16 C17 -129.8(6) . . . . ?
C5 C6 C19 C24 81.7(7) . . . . ?
C1 C6 C19 C24 -103.1(7) . . . . ?
C5 C6 C19 C20 -92.6(7) . . . . ?
C1 C6 C19 C20 82.6(7) . . . . ?
C24 C19 C20 C21 2.7(8) . . . . ?
C6 C19 C20 C21 176.9(6) . . . . ?
C24 C19 C20 C25 -174.7(5) . . . . ?
C6 C19 C20 C25 -0.4(8) . . . . ?
C19 C20 C21 C22 -1.1(9) . . . . ?
C25 C20 C21 C22 176.3(6) . . . . ?
C20 C21 C22 C23 -0.5(9) . . . . ?
C21 C22 C23 C24 0.5(9) . . . . ?
C22 C23 C24 C19 1.0(9) . . . . ?
C22 C23 C24 C28 -176.9(5) . . . . ?
C20 C19 C24 C23 -2.6(8) . . . . ?
C6 C19 C24 C23 -176.7(5) . . . . ?
C20 C19 C24 C28 175.2(5) . . . . ?
C6 C19 C24 C28 1.1(8) . . . . ?
C21 C20 C25 C27 -85.4(7) . . . . ?
C19 C20 C25 C27 91.9(7) . . . . ?
C21 C20 C25 C26 38.5(8) . . . . ?
C19 C20 C25 C26 -144.1(6) . . . . ?
C23 C24 C28 C29 -41.3(7) . . . . ?
C19 C24 C28 C29 140.9(6) . . . . ?
C23 C24 C28 C30 82.7(7) . . . . ?
C19 C24 C28 C30 -95.1(6) . . . . ?
F1A C31 C32 C33 -173.6(8) . . . . ?
C36 C31 C32 C33 -1.0(10) . . . . ?
C31 C32 C33 F1B -178.8(6) . . . . ?
C31 C32 C33 C34 -0.5(10) . . . . ?
F1B C33 C34 C35 179.9(6) . . . . ?
C32 C33 C34 C35 1.5(11) . . . . ?
C33 C34 C35 C36 -1.1(10) . . . . ?
F1A C31 C36 C35 173.3(9) . . . . ?
C32 C31 C36 C35 1.3(11) . . . . ?
C34 C35 C36 C31 -0.3(11) . . . . ?

_refine_diff_density_max         0.592
_refine_diff_density_min         -0.723
_refine_diff_density_rms         0.061

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_007c-19011
_database_code_depnum_ccdc_archive 'CCDC 1897307'
loop_
_audit_author_name
_audit_author_address
'JESUSCM Campos'
;Universidad de Sevilla CSIC
Spain
;
_audit_update_record             
;
2019-02-14 deposited with the CCDC.	2019-05-23 downloaded from the CCDC.
;

_vrf_PLAT972_007c-19011          
;
PROBLEM: Check Calcd Resid. Dens.  0.73A   From Au1
RESPONSE: There are likely Fourier artifacts in this data
which are responsible for the spurious difference map peaks.
;

_vrf_PLAT220_007c-19011          
;
PROBLEM: Non-Solvent  Resd 1  C   Ueq(max)/Ueq(min) Range  
RESPONSE: There is significant disorder in the model. See
_refine_special_details of the CIF for more information.
;

_vrf_PLAT241_007c-19011          
;
PROBLEM: High   'MainMol' Ueq as Compared to Neighbors of  
RESPONSE: There is significant disorder in the model. See
_refine_special_details of the CIF for more information.
;

_vrf_PLAT910_007c-19011          
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).   
RESPONSE: The crystal was destroyed before additional reflections
could be collected.
;

_vrf_PLAT413_007c-19011          
;
PROBLEM: Short Inter XH3 .. XHn     H2BB     ..H38C     . 
RESPONSE: There is significant disorder in the model. See
_refine_special_details of the CIF for more information.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C44 H75 Au Cl N2 P Si4 Sn'
_chemical_formula_sum            'C44 H75 Au Cl N2 P Si4 Sn'
_chemical_formula_weight         1126.49

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.4337(7)
_cell_length_b                   17.5668(10)
_cell_length_c                   20.4495(10)
_cell_angle_alpha                90
_cell_angle_beta                 105.385(5)
_cell_angle_gamma                90
_cell_volume                     4999.2(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    19207
_cell_measurement_theta_min      2.9220
_cell_measurement_theta_max      27.3470

_exptl_crystal_description       Plate
_exptl_crystal_colour            Orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_F_000             2280
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    3.643
_shelx_estimated_absorpt_T_min   0.529
_shelx_estimated_absorpt_T_max   0.868
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.38261
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
; 
CrysAlisPro 1.171.39.16b (Rigaku Oxford Diffraction, 2015) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'microfocus rotating anode'
_diffrn_measurement_device_type  'Dectris Pilatus 3R'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.8
_diffrn_reflns_number            57414
_diffrn_reflns_av_unetI/netI     0.0550
_diffrn_reflns_av_R_equivalents  0.0598
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.927
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             11452
_reflns_number_gt                9077
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'CrysAlisPro 1.171.39.16b (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.16b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.16b (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'CIFTAB-2014/2 (Sheldrick, 2014)'
_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
  
The hydrogen atoms were first found in the difference map, then generated 
geometrically and refined as riding atoms with C-H distances = 0.95 - 0.99 
angstroms and Uiso(H) = 1.2 times Ueq(C) for CH and CH2 groups and Uiso(H) 
= 1.5 times Ueq(C) for CH3 groups. 

The SnClN(SiC3)2 group is disordered over two positions. Oxygen atoms C5B, C7B, and 
C8B are common to both models. The site occupancies of the two models
were freely refined and converged at nearly equal occupancies. The site 
occupancies were subsequently fixed at 0.5. A global rigid bond restraint 
was applied to help the model converge. All disordered hydrogens were placed in 
geometrically expected positions as riding atoms.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0113P)²+49.5887P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     SHELXT
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11452
_refine_ls_number_parameters     562
_refine_ls_number_restraints     540
_refine_ls_R_factor_all          0.0789
_refine_ls_R_factor_gt           0.0589
_refine_ls_wR_factor_ref         0.1268
_refine_ls_wR_factor_gt          0.1202
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_restrained_S_all      1.105
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.70534(2) 0.27318(2) 0.48110(2) 0.03166(9) Uani 1 1 d . U . . .
Sn1A Sn 0.85561(6) 0.28694(6) 0.57907(5) 0.0282(2) Uani 0.5 1 d . U P A 2
Sn1B Sn 0.87109(6) 0.32691(5) 0.55548(4) 0.01885(17) Uani 0.5 1 d . U P A 1
Cl1A Cl 0.8387(4) 0.2016(4) 0.6679(3) 0.0630(15) Uani 0.5 1 d . U P A 2
Cl1B Cl 0.9575(5) 0.4152(3) 0.5080(3) 0.0395(13) Uani 0.5 1 d . U P A 1
P1 P 0.56381(12) 0.21126(10) 0.42671(7) 0.0239(3) Uani 1 1 d . U . . .
Si1 Si 0.7837(2) 0.43670(18) 0.64423(16) 0.0731(10) Uani 1 1 d . U . . .
Si1A Si 0.9607(3) 0.1718(2) 0.6374(3) 0.0408(10) Uani 0.5 1 d . U P A 1
Si1B Si 1.0086(4) 0.1512(3) 0.5687(4) 0.0609(14) Uani 0.5 1 d . U P A 2
Si2 Si 0.9910(2) 0.4113(2) 0.69838(13) 0.0646(8) Uani 1 1 d . U . . .
Si2A Si 1.0310(3) 0.2195(3) 0.5160(3) 0.0498(11) Uani 0.5 1 d . U P A 1
Si2B Si 1.0237(3) 0.3019(3) 0.5050(2) 0.0445(10) Uani 0.5 1 d . U P A 2
N1 N 0.9741(5) 0.2410(4) 0.5674(4) 0.0462(14) Uani 1 1 d . U . . .
N2 N 0.8832(5) 0.3846(4) 0.6425(3) 0.0402(14) Uani 1 1 d . U . . .
C1 C 0.4846(4) 0.2528(4) 0.3480(3) 0.0222(12) Uani 1 1 d . U . . .
C1B C 0.8744(19) 0.197(2) 0.6812(16) 0.0630(15) Uani 0.5 1 d . U P A 1
H1BA H 0.8757 0.2518 0.6886 0.094 Uiso 0.5 1 calc R U P A 1
H1BB H 0.8894 0.1704 0.7251 0.094 Uiso 0.5 1 calc R U P A 1
H1BC H 0.8103 0.1814 0.6542 0.094 Uiso 0.5 1 calc R U P A 1
C2 C 0.5099(5) 0.3239(4) 0.3256(3) 0.0260(12) Uani 1 1 d . U . . .
C2B C 1.0773(15) 0.1668(13) 0.7040(13) 0.071(6) Uani 0.5 1 d . U P A 1
H2BA H 1.1298 0.1599 0.6825 0.107 Uiso 0.5 1 calc R U P A 1
H2BB H 1.0761 0.1237 0.7342 0.107 Uiso 0.5 1 calc R U P A 1
H2BC H 1.0872 0.2141 0.7304 0.107 Uiso 0.5 1 calc R U P A 1
C3 C 0.4454(5) 0.3608(4) 0.2719(3) 0.0341(15) Uani 1 1 d . U . . .
H3 H 0.4628 0.4086 0.2569 0.041 Uiso 1 1 calc R U . . .
C3B C 0.9220(15) 0.0750(10) 0.6058(12) 0.062(4) Uani 0.5 1 d . U P A 1
H3BA H 0.8652 0.0786 0.5670 0.093 Uiso 0.5 1 calc R U P A 1
H3BB H 0.9063 0.0453 0.6420 0.093 Uiso 0.5 1 calc R U P A 1
H3BC H 0.9741 0.0499 0.5916 0.093 Uiso 0.5 1 calc R U P A 1
C4 C 0.3572(5) 0.3300(4) 0.2400(4) 0.0379(16) Uani 1 1 d . U . . .
H4 H 0.3132 0.3573 0.2050 0.045 Uiso 1 1 calc R U . . .
C4B C 1.0724(16) 0.1315(14) 0.6623(14) 0.080(5) Uani 0.5 1 d . U P A 2
H4BA H 1.1389 0.1496 0.6724 0.119 Uiso 0.5 1 calc R U P A 2
H4BB H 1.0721 0.0766 0.6710 0.119 Uiso 0.5 1 calc R U P A 2
H4BC H 1.0388 0.1582 0.6913 0.119 Uiso 0.5 1 calc R U P A 2
C5 C 0.3342(5) 0.2599(4) 0.2594(3) 0.0333(15) Uani 1 1 d . U . . .
H5 H 0.2748 0.2374 0.2361 0.040 Uiso 1 1 calc R U . . .
C5B C 1.0845(11) 0.1195(7) 0.5190(9) 0.107(4) Uani 1 1 d . U . . .
H5BD H 1.0661 0.1446 0.4746 0.160 Uiso 0.5 1 calc R U P A 2
H5BE H 1.0781 0.0643 0.5128 0.160 Uiso 0.5 1 calc R U P A 2
H5BF H 1.1514 0.1321 0.5420 0.160 Uiso 0.5 1 calc R U P A 2
H5BA H 1.1058 0.1023 0.5661 0.160 Uiso 0.5 1 calc R U P A 1
H5BB H 1.1395 0.1206 0.4993 0.160 Uiso 0.5 1 calc R U P A 1
H5BC H 1.0357 0.0845 0.4929 0.160 Uiso 0.5 1 calc R U P A 1
C6 C 0.3953(4) 0.2205(4) 0.3124(3) 0.0260(12) Uani 1 1 d . U . . .
C6B C 0.9000(15) 0.0890(11) 0.5395(15) 0.077(6) Uani 0.5 1 d . U P A 2
H6BA H 0.8528 0.1024 0.5643 0.115 Uiso 0.5 1 calc R U P A 2
H6BB H 0.9188 0.0356 0.5482 0.115 Uiso 0.5 1 calc R U P A 2
H6BC H 0.8717 0.0964 0.4908 0.115 Uiso 0.5 1 calc R U P A 2
C7 C 0.6043(5) 0.3654(4) 0.3512(3) 0.0330(14) Uani 1 1 d . U . . .
C7B C 0.9644(11) 0.2501(8) 0.4221(6) 0.105(4) Uani 1 1 d . U . . .
H7BA H 0.9041 0.2759 0.4218 0.157 Uiso 0.5 1 calc R U P A 1
H7BB H 0.9506 0.2047 0.3932 0.157 Uiso 0.5 1 calc R U P A 1
H7BC H 1.0056 0.2847 0.4048 0.157 Uiso 0.5 1 calc R U P A 1
H7BD H 0.9730 0.1950 0.4290 0.157 Uiso 0.5 1 calc R U P A 2
H7BE H 0.9943 0.2665 0.3867 0.157 Uiso 0.5 1 calc R U P A 2
H7BF H 0.8957 0.2621 0.4083 0.157 Uiso 0.5 1 calc R U P A 2
C8 C 0.6077(6) 0.4337(4) 0.3873(4) 0.0423(16) Uani 1 1 d . U . . .
C8B C 1.1504(8) 0.2894(8) 0.5314(7) 0.092(4) Uani 1 1 d . U . . .
H8BA H 1.1296 0.3422 0.5216 0.139 Uiso 0.5 1 calc R U P A 1
H8BB H 1.1895 0.2737 0.5012 0.139 Uiso 0.5 1 calc R U P A 1
H8BC H 1.1886 0.2852 0.5786 0.139 Uiso 0.5 1 calc R U P A 1
H8BD H 1.1688 0.2683 0.5774 0.139 Uiso 0.5 1 calc R U P A 2
H8BE H 1.1821 0.3386 0.5310 0.139 Uiso 0.5 1 calc R U P A 2
H8BF H 1.1701 0.2543 0.5003 0.139 Uiso 0.5 1 calc R U P A 2
C9 C 0.6919(7) 0.4776(5) 0.4011(4) 0.054(2) Uani 1 1 d . U . . .
H9 H 0.6953 0.5237 0.4259 0.065 Uiso 1 1 calc R U . . .
C9B C 0.980(2) 0.4010(19) 0.502(2) 0.053(7) Uani 0.5 1 d . U P A 2
H9BA H 0.9098 0.4017 0.4825 0.079 Uiso 0.5 1 calc R U P A 2
H9BB H 1.0101 0.4315 0.4729 0.079 Uiso 0.5 1 calc R U P A 2
H9BC H 0.9957 0.4224 0.5475 0.079 Uiso 0.5 1 calc R U P A 2
C10 C 0.7682(7) 0.4547(6) 0.3794(5) 0.060(2) Uani 1 1 d . U . . .
H10 H 0.8244 0.4853 0.3889 0.071 Uiso 1 1 calc R U . . .
C11 C 0.7659(6) 0.3888(6) 0.3443(5) 0.056(2) Uani 1 1 d . U . . .
H11 H 0.8205 0.3737 0.3298 0.067 Uiso 1 1 calc R U . . .
C12 C 0.6842(5) 0.3432(5) 0.3294(4) 0.0400(16) Uani 1 1 d . U . . .
C13 C 0.5231(8) 0.4627(5) 0.4091(5) 0.056(2) Uani 1 1 d . U . . .
H13A H 0.4815 0.4924 0.3723 0.084 Uiso 1 1 calc R U . . .
H13B H 0.5455 0.4951 0.4492 0.084 Uiso 1 1 calc R U . . .
H13C H 0.4869 0.4196 0.4202 0.084 Uiso 1 1 calc R U . . .
C14 C 0.6812(6) 0.2740(6) 0.2857(5) 0.057(2) Uani 1 1 d . U . . .
H14A H 0.6195 0.2479 0.2798 0.086 Uiso 1 1 calc R U . . .
H14B H 0.6885 0.2895 0.2413 0.086 Uiso 1 1 calc R U . . .
H14C H 0.7336 0.2395 0.3075 0.086 Uiso 1 1 calc R U . . .
C15 C 0.3634(5) 0.1407(4) 0.3225(3) 0.0290(13) Uani 1 1 d . U . . .
C16 C 0.3900(5) 0.0815(4) 0.2859(3) 0.0348(15) Uani 1 1 d . U . . .
C17 C 0.3607(6) 0.0079(5) 0.2928(4) 0.0445(17) Uani 1 1 d . U . . .
H17 H 0.3811 -0.0323 0.2688 0.053 Uiso 1 1 calc R U . . .
C18 C 0.3015(7) -0.0074(6) 0.3345(4) 0.0522(19) Uani 1 1 d . U . . .
H18 H 0.2832 -0.0583 0.3405 0.063 Uiso 1 1 calc R U . . .
C19 C 0.2699(6) 0.0501(5) 0.3667(4) 0.0476(18) Uani 1 1 d . U . . .
H19 H 0.2276 0.0392 0.3940 0.057 Uiso 1 1 calc R U . . .
C20 C 0.2982(5) 0.1262(5) 0.3609(3) 0.0387(15) Uani 1 1 d . U . . .
C21 C 0.4482(6) 0.0964(5) 0.2355(4) 0.0446(19) Uani 1 1 d . U . . .
H21A H 0.4046 0.1069 0.1908 0.067 Uiso 1 1 calc R U . . .
H21B H 0.4873 0.0515 0.2327 0.067 Uiso 1 1 calc R U . . .
H21C H 0.4902 0.1403 0.2504 0.067 Uiso 1 1 calc R U . . .
C22 C 0.2520(6) 0.1894(6) 0.3913(4) 0.051(2) Uani 1 1 d . U . . .
H22A H 0.2806 0.2382 0.3842 0.077 Uiso 1 1 calc R U . . .
H22B H 0.2627 0.1804 0.4401 0.077 Uiso 1 1 calc R U . . .
H22C H 0.1829 0.1904 0.3695 0.077 Uiso 1 1 calc R U . . .
C23 C 0.5877(7) 0.1123(4) 0.4104(4) 0.0463(19) Uani 1 1 d . U . . .
H23 H 0.5268 0.0890 0.3824 0.056 Uiso 1 1 calc R U . . .
C24 C 0.6643(10) 0.1002(7) 0.3746(5) 0.084(3) Uani 1 1 d . U . . .
H24A H 0.7215 0.1319 0.3944 0.101 Uiso 1 1 calc R U . . .
H24B H 0.6405 0.1115 0.3256 0.101 Uiso 1 1 calc R U . . .
C25 C 0.6872(15) 0.0137(8) 0.3872(8) 0.139(7) Uani 1 1 d . U . . .
H25A H 0.6463 -0.0169 0.3500 0.167 Uiso 1 1 calc R U . . .
H25B H 0.7553 0.0036 0.3891 0.167 Uiso 1 1 calc R U . . .
C26 C 0.6689(10) -0.0058(6) 0.4489(6) 0.080(3) Uani 1 1 d . U . . .
H26A H 0.7294 -0.0209 0.4821 0.095 Uiso 1 1 calc R U . . .
H26B H 0.6238 -0.0494 0.4423 0.095 Uiso 1 1 calc R U . . .
C27 C 0.6250(8) 0.0633(5) 0.4753(5) 0.058(2) Uani 1 1 d . U . . .
H27A H 0.6740 0.0911 0.5102 0.069 Uiso 1 1 calc R U . . .
H27B H 0.5718 0.0479 0.4946 0.069 Uiso 1 1 calc R U . . .
C28 C 0.4861(5) 0.2119(4) 0.4850(3) 0.0321(14) Uani 1 1 d . U . . .
H28 H 0.4285 0.1792 0.4660 0.039 Uiso 1 1 calc R U . . .
C29 C 0.4529(6) 0.2936(5) 0.4948(4) 0.0408(17) Uani 1 1 d . U . . .
H29A H 0.5063 0.3303 0.4989 0.049 Uiso 1 1 calc R U . . .
H29B H 0.3987 0.3089 0.4563 0.049 Uiso 1 1 calc R U . . .
C30 C 0.4219(7) 0.2901(7) 0.5601(4) 0.066(3) Uani 1 1 d . U . . .
H30A H 0.4397 0.3377 0.5865 0.079 Uiso 1 1 calc R U . . .
H30B H 0.3515 0.2832 0.5501 0.079 Uiso 1 1 calc R U . . .
C31 C 0.4723(9) 0.2246(7) 0.5985(5) 0.078(3) Uani 1 1 d . U . . .
H31A H 0.4248 0.1876 0.6068 0.093 Uiso 1 1 calc R U . . .
H31B H 0.5128 0.2419 0.6430 0.093 Uiso 1 1 calc R U . . .
C32 C 0.5358(6) 0.1858(5) 0.5580(3) 0.0471(19) Uani 1 1 d . U . . .
H32A H 0.6031 0.2039 0.5728 0.056 Uiso 1 1 calc R U . . .
H32B H 0.5347 0.1296 0.5623 0.056 Uiso 1 1 calc R U . . .
C33 C 0.6744(10) 0.3733(10) 0.6235(10) 0.150(6) Uani 1 1 d . U . . .
H33A H 0.6458 0.3729 0.5744 0.225 Uiso 1 1 calc R U . . .
H33B H 0.6274 0.3925 0.6463 0.225 Uiso 1 1 calc R U . . .
H33C H 0.6932 0.3214 0.6391 0.225 Uiso 1 1 calc R U . . .
C34 C 0.7656(16) 0.5195(10) 0.5899(9) 0.154(7) Uani 1 1 d . U . . .
H34A H 0.8281 0.5410 0.5894 0.232 Uiso 1 1 calc R U . . .
H34B H 0.7286 0.5577 0.6072 0.232 Uiso 1 1 calc R U . . .
H34C H 0.7304 0.5049 0.5438 0.232 Uiso 1 1 calc R U . . .
C35 C 0.7767(10) 0.4713(8) 0.7276(7) 0.094(4) Uani 1 1 d . U . . .
H35A H 0.7713 0.4279 0.7564 0.142 Uiso 1 1 calc R U . . .
H35B H 0.7202 0.5042 0.7219 0.142 Uiso 1 1 calc R U . . .
H35C H 0.8348 0.5004 0.7489 0.142 Uiso 1 1 calc R U . . .
C36 C 0.9900(10) 0.3856(9) 0.7870(5) 0.108(5) Uani 1 1 d . U . . .
H36A H 0.9670 0.3332 0.7879 0.162 Uiso 1 1 calc R U . . .
H36B H 0.9472 0.4203 0.8027 0.162 Uiso 1 1 calc R U . . .
H36C H 1.0552 0.3897 0.8169 0.162 Uiso 1 1 calc R U . . .
C37 C 1.0981(8) 0.3692(9) 0.6803(6) 0.098(4) Uani 1 1 d . U . . .
H37A H 1.0986 0.3142 0.6883 0.147 Uiso 1 1 calc R U . . .
H37B H 1.1560 0.3921 0.7101 0.147 Uiso 1 1 calc R U . . .
H37C H 1.0969 0.3788 0.6329 0.147 Uiso 1 1 calc R U . . .
C38 C 1.0136(10) 0.5150(7) 0.6960(6) 0.088(3) Uani 1 1 d . U . . .
H38A H 1.0062 0.5310 0.6490 0.132 Uiso 1 1 calc R U . . .
H38B H 1.0791 0.5263 0.7230 0.132 Uiso 1 1 calc R U . . .
H38C H 0.9675 0.5426 0.7147 0.132 Uiso 1 1 calc R U . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 P1 2.3211(17) . ?
Au1 Sn1A 2.5439(9) . ?
Au1 Sn1B 2.6452(8) . ?
Sn1A N1 1.961(7) . ?
Sn1A N2 2.124(6) . ?
Sn1A Cl1A 2.418(6) . ?
Sn1B N2 2.015(6) . ?
Sn1B N1 2.087(6) . ?
Sn1B Cl1B 2.356(6) . ?
P1 C23 1.820(8) . ?
P1 C28 1.841(7) . ?
P1 C1 1.859(6) . ?
Si1 N2 1.710(7) . ?
Si1 C34 1.807(17) . ?
Si1 C35 1.838(12) . ?
Si1 C33 1.886(15) . ?
Si1A C1B 1.77(3) . ?
Si1A C3B 1.85(2) . ?
Si1A C2B 1.86(2) . ?
Si1A N1 1.926(8) . ?
Si1B N1 1.652(8) . ?
Si1B C5B 1.771(14) . ?
Si1B C6B 1.87(2) . ?
Si1B C4B 1.92(3) . ?
Si2 N2 1.733(7) . ?
Si2 C37 1.839(13) . ?
Si2 C38 1.853(12) . ?
Si2 C36 1.872(11) . ?
Si2A N1 1.543(9) . ?
Si2A C5B 1.914(13) . ?
Si2A C7B 1.980(14) . ?
Si2A C8B 2.070(14) . ?
Si2B C8B 1.778(13) . ?
Si2B C9B 1.85(3) . ?
Si2B C7B 1.914(13) . ?
Si2B N1 1.943(9) . ?
C1 C2 1.411(9) . ?
C1 C6 1.420(9) . ?
C1B H1BA 0.9800 . ?
C1B H1BB 0.9800 . ?
C1B H1BC 0.9800 . ?
C2 C3 1.397(9) . ?
C2 C7 1.511(9) . ?
C2B H2BA 0.9800 . ?
C2B H2BB 0.9800 . ?
C2B H2BC 0.9800 . ?
C3 C4 1.377(10) . ?
C3 H3 0.9500 . ?
C3B H3BA 0.9800 . ?
C3B H3BB 0.9800 . ?
C3B H3BC 0.9800 . ?
C4 C5 1.363(11) . ?
C4 H4 0.9500 . ?
C4B H4BA 0.9800 . ?
C4B H4BB 0.9800 . ?
C4B H4BC 0.9800 . ?
C5 C6 1.387(9) . ?
C5 H5 0.9500 . ?
C5B H5BD 0.9800 . ?
C5B H5BE 0.9800 . ?
C5B H5BF 0.9800 . ?
C5B H5BA 0.9800 . ?
C5B H5BB 0.9800 . ?
C5B H5BC 0.9800 . ?
C6 C15 1.507(10) . ?
C6B H6BA 0.9800 . ?
C6B H6BB 0.9800 . ?
C6B H6BC 0.9800 . ?
C7 C12 1.397(11) . ?
C7 C8 1.404(11) . ?
C7B H7BA 0.9800 . ?
C7B H7BB 0.9800 . ?
C7B H7BC 0.9800 . ?
C7B H7BD 0.9800 . ?
C7B H7BE 0.9800 . ?
C7B H7BF 0.9800 . ?
C8 C9 1.403(12) . ?
C8 C13 1.496(13) . ?
C8B H8BA 0.9800 . ?
C8B H8BB 0.9800 . ?
C8B H8BC 0.9800 . ?
C8B H8BD 0.9800 . ?
C8B H8BE 0.9800 . ?
C8B H8BF 0.9800 . ?
C9 C10 1.354(15) . ?
C9 H9 0.9500 . ?
C9B H9BA 0.9800 . ?
C9B H9BB 0.9800 . ?
C9B H9BC 0.9800 . ?
C10 C11 1.358(14) . ?
C10 H10 0.9500 . ?
C11 C12 1.391(11) . ?
C11 H11 0.9500 . ?
C12 C14 1.503(13) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.394(10) . ?
C15 C20 1.398(10) . ?
C16 C17 1.379(11) . ?
C16 C21 1.515(11) . ?
C17 C18 1.385(12) . ?
C17 H17 0.9500 . ?
C18 C19 1.350(13) . ?
C18 H18 0.9500 . ?
C19 C20 1.411(11) . ?
C19 H19 0.9500 . ?
C20 C22 1.511(12) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.495(14) . ?
C23 C27 1.553(11) . ?
C23 H23 1.0000 . ?
C24 C25 1.561(16) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.398(17) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.532(13) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.543(11) . ?
C28 C32 1.545(9) . ?
C28 H28 1.0000 . ?
C29 C30 1.518(11) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.472(15) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.547(13) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
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 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Au1 Sn1A 151.64(5) . . ?
P1 Au1 Sn1B 171.68(5) . . ?
N1 Sn1A N2 112.2(3) . . ?
N1 Sn1A Cl1A 95.8(3) . . ?
N2 Sn1A Cl1A 94.7(3) . . ?
N1 Sn1A Au1 117.0(2) . . ?
N2 Sn1A Au1 122.68(18) . . ?
Cl1A Sn1A Au1 107.33(15) . . ?
N2 Sn1B N1 111.6(3) . . ?
N2 Sn1B Cl1B 95.8(3) . . ?
N1 Sn1B Cl1B 94.9(3) . . ?
N2 Sn1B Au1 122.7(2) . . ?
N1 Sn1B Au1 108.47(19) . . ?
Cl1B Sn1B Au1 119.65(16) . . ?
C23 P1 C28 107.6(4) . . ?
C23 P1 C1 108.6(3) . . ?
C28 P1 C1 102.6(3) . . ?
C23 P1 Au1 110.5(3) . . ?
C28 P1 Au1 107.3(2) . . ?
C1 P1 Au1 119.5(2) . . ?
N2 Si1 C34 113.8(7) . . ?
N2 Si1 C35 116.7(5) . . ?
C34 Si1 C35 105.6(7) . . ?
N2 Si1 C33 109.6(5) . . ?
C34 Si1 C33 111.2(10) . . ?
C35 Si1 C33 98.9(7) . . ?
C1B Si1A C3B 102.4(14) . . ?
C1B Si1A C2B 105.2(13) . . ?
C3B Si1A C2B 109.9(10) . . ?
C1B Si1A N1 116.3(11) . . ?
C3B Si1A N1 113.6(7) . . ?
C2B Si1A N1 108.9(7) . . ?
N1 Si1B C5B 121.4(6) . . ?
N1 Si1B C6B 109.2(7) . . ?
C5B Si1B C6B 103.1(9) . . ?
N1 Si1B C4B 104.5(9) . . ?
C5B Si1B C4B 108.0(10) . . ?
C6B Si1B C4B 110.5(12) . . ?
N2 Si2 C37 114.5(4) . . ?
N2 Si2 C38 112.5(5) . . ?
C37 Si2 C38 103.1(7) . . ?
N2 Si2 C36 109.7(5) . . ?
C37 Si2 C36 108.7(7) . . ?
C38 Si2 C36 108.0(6) . . ?
N1 Si2A C5B 119.1(6) . . ?
N1 Si2A C7B 112.7(6) . . ?
C5B Si2A C7B 111.6(7) . . ?
N1 Si2A C8B 108.9(5) . . ?
C5B Si2A C8B 103.1(6) . . ?
C7B Si2A C8B 99.0(7) . . ?
C8B Si2B C9B 116.4(13) . . ?
C8B Si2B C7B 113.1(7) . . ?
C9B Si2B C7B 110.3(13) . . ?
C8B Si2B N1 105.1(6) . . ?
C9B Si2B N1 111.1(11) . . ?
C7B Si2B N1 99.4(6) . . ?
Si2A N1 Si1A 121.9(5) . . ?
Si1B N1 Si2B 112.0(5) . . ?
Si1B N1 Sn1A 131.3(5) . . ?
Si2B N1 Sn1A 109.8(3) . . ?
Si2A N1 Sn1B 126.1(5) . . ?
Si1A N1 Sn1B 109.5(4) . . ?
Si1 N2 Si2 116.9(4) . . ?
Si1 N2 Sn1B 114.3(3) . . ?
Si2 N2 Sn1B 124.8(4) . . ?
Si1 N2 Sn1A 115.0(3) . . ?
Si2 N2 Sn1A 127.7(4) . . ?
C2 C1 C6 117.7(5) . . ?
C2 C1 P1 118.4(4) . . ?
C6 C1 P1 123.6(5) . . ?
Si1A C1B H1BA 109.5 . . ?
Si1A C1B H1BB 109.5 . . ?
H1BA C1B H1BB 109.5 . . ?
Si1A C1B H1BC 109.5 . . ?
H1BA C1B H1BC 109.5 . . ?
H1BB C1B H1BC 109.5 . . ?
C3 C2 C1 119.3(6) . . ?
C3 C2 C7 113.6(6) . . ?
C1 C2 C7 127.0(6) . . ?
Si1A C2B H2BA 109.5 . . ?
Si1A C2B H2BB 109.5 . . ?
H2BA C2B H2BB 109.5 . . ?
Si1A C2B H2BC 109.5 . . ?
H2BA C2B H2BC 109.5 . . ?
H2BB C2B H2BC 109.5 . . ?
C4 C3 C2 122.0(7) . . ?
C4 C3 H3 119.0 . . ?
C2 C3 H3 119.0 . . ?
Si1A C3B H3BA 109.5 . . ?
Si1A C3B H3BB 109.5 . . ?
H3BA C3B H3BB 109.5 . . ?
Si1A C3B H3BC 109.5 . . ?
H3BA C3B H3BC 109.5 . . ?
H3BB C3B H3BC 109.5 . . ?
C5 C4 C3 118.9(6) . . ?
C5 C4 H4 120.6 . . ?
C3 C4 H4 120.6 . . ?
Si1B C4B H4BA 109.5 . . ?
Si1B C4B H4BB 109.5 . . ?
H4BA C4B H4BB 109.5 . . ?
Si1B C4B H4BC 109.5 . . ?
H4BA C4B H4BC 109.5 . . ?
H4BB C4B H4BC 109.5 . . ?
C4 C5 C6 121.7(7) . . ?
C4 C5 H5 119.2 . . ?
C6 C5 H5 119.2 . . ?
Si1B C5B H5BD 109.5 . . ?
Si1B C5B H5BE 109.5 . . ?
H5BD C5B H5BE 109.5 . . ?
Si1B C5B H5BF 109.5 . . ?
H5BD C5B H5BF 109.5 . . ?
H5BE C5B H5BF 109.5 . . ?
Si2A C5B H5BA 109.5 . . ?
Si2A C5B H5BB 109.5 . . ?
H5BA C5B H5BB 109.5 . . ?
Si2A C5B H5BC 109.5 . . ?
H5BA C5B H5BC 109.5 . . ?
H5BB C5B H5BC 109.5 . . ?
C5 C6 C1 120.2(6) . . ?
C5 C6 C15 114.7(6) . . ?
C1 C6 C15 124.8(6) . . ?
Si1B C6B H6BA 109.5 . . ?
Si1B C6B H6BB 109.5 . . ?
H6BA C6B H6BB 109.5 . . ?
Si1B C6B H6BC 109.5 . . ?
H6BA C6B H6BC 109.5 . . ?
H6BB C6B H6BC 109.5 . . ?
C12 C7 C8 119.3(7) . . ?
C12 C7 C2 119.9(7) . . ?
C8 C7 C2 119.9(7) . . ?
Si2A C7B H7BA 109.5 . . ?
Si2A C7B H7BB 109.5 . . ?
H7BA C7B H7BB 109.5 . . ?
Si2A C7B H7BC 109.5 . . ?
H7BA C7B H7BC 109.5 . . ?
H7BB C7B H7BC 109.5 . . ?
Si2B C7B H7BD 109.5 . . ?
Si2B C7B H7BE 109.5 . . ?
H7BD C7B H7BE 109.5 . . ?
Si2B C7B H7BF 109.5 . . ?
H7BD C7B H7BF 109.5 . . ?
H7BE C7B H7BF 109.5 . . ?
C9 C8 C7 118.9(9) . . ?
C9 C8 C13 119.0(8) . . ?
C7 C8 C13 122.0(8) . . ?
Si2A C8B H8BA 109.5 . . ?
Si2A C8B H8BB 109.5 . . ?
H8BA C8B H8BB 109.5 . . ?
Si2A C8B H8BC 109.5 . . ?
H8BA C8B H8BC 109.5 . . ?
H8BB C8B H8BC 109.5 . . ?
Si2B C8B H8BD 109.5 . . ?
Si2B C8B H8BE 109.5 . . ?
H8BD C8B H8BE 109.5 . . ?
Si2B C8B H8BF 109.5 . . ?
H8BD C8B H8BF 109.5 . . ?
H8BE C8B H8BF 109.5 . . ?
C10 C9 C8 120.5(9) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
Si2B C9B H9BA 109.5 . . ?
Si2B C9B H9BB 109.5 . . ?
H9BA C9B H9BB 109.5 . . ?
Si2B C9B H9BC 109.5 . . ?
H9BA C9B H9BC 109.5 . . ?
H9BB C9B H9BC 109.5 . . ?
C9 C10 C11 121.3(9) . . ?
C9 C10 H10 119.4 . . ?
C11 C10 H10 119.4 . . ?
C10 C11 C12 120.4(10) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 H11 119.8 . . ?
C11 C12 C7 119.6(8) . . ?
C11 C12 C14 119.0(8) . . ?
C7 C12 C14 121.3(7) . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 C20 119.2(7) . . ?
C16 C15 C6 118.8(6) . . ?
C20 C15 C6 121.4(7) . . ?
C17 C16 C15 120.6(7) . . ?
C17 C16 C21 118.1(7) . . ?
C15 C16 C21 121.3(7) . . ?
C16 C17 C18 120.1(8) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C19 C18 C17 119.9(8) . . ?
C19 C18 H18 120.1 . . ?
C17 C18 H18 120.1 . . ?
C18 C19 C20 121.7(8) . . ?
C18 C19 H19 119.1 . . ?
C20 C19 H19 119.1 . . ?
C15 C20 C19 118.2(8) . . ?
C15 C20 C22 122.2(7) . . ?
C19 C20 C22 119.4(7) . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 C27 101.8(7) . . ?
C24 C23 P1 115.2(7) . . ?
C27 C23 P1 114.4(5) . . ?
C24 C23 H23 108.3 . . ?
C27 C23 H23 108.3 . . ?
P1 C23 H23 108.3 . . ?
C23 C24 C25 102.1(11) . . ?
C23 C24 H24A 111.4 . . ?
C25 C24 H24A 111.4 . . ?
C23 C24 H24B 111.4 . . ?
C25 C24 H24B 111.4 . . ?
H24A C24 H24B 109.2 . . ?
C26 C25 C24 107.8(10) . . ?
C26 C25 H25A 110.1 . . ?
C24 C25 H25A 110.1 . . ?
C26 C25 H25B 110.1 . . ?
C24 C25 H25B 110.1 . . ?
H25A C25 H25B 108.5 . . ?
C25 C26 C27 108.5(9) . . ?
C25 C26 H26A 110.0 . . ?
C27 C26 H26A 110.0 . . ?
C25 C26 H26B 110.0 . . ?
C27 C26 H26B 110.0 . . ?
H26A C26 H26B 108.4 . . ?
C26 C27 C23 102.8(8) . . ?
C26 C27 H27A 111.2 . . ?
C23 C27 H27A 111.2 . . ?
C26 C27 H27B 111.2 . . ?
C23 C27 H27B 111.2 . . ?
H27A C27 H27B 109.1 . . ?
C29 C28 C32 103.3(6) . . ?
C29 C28 P1 110.6(5) . . ?
C32 C28 P1 114.7(5) . . ?
C29 C28 H28 109.3 . . ?
C32 C28 H28 109.3 . . ?
P1 C28 H28 109.3 . . ?
C30 C29 C28 104.5(7) . . ?
C30 C29 H29A 110.8 . . ?
C28 C29 H29A 110.8 . . ?
C30 C29 H29B 110.8 . . ?
C28 C29 H29B 110.8 . . ?
H29A C29 H29B 108.9 . . ?
C31 C30 C29 106.3(8) . . ?
C31 C30 H30A 110.5 . . ?
C29 C30 H30A 110.5 . . ?
C31 C30 H30B 110.5 . . ?
C29 C30 H30B 110.5 . . ?
H30A C30 H30B 108.7 . . ?
C30 C31 C32 109.8(7) . . ?
C30 C31 H31A 109.7 . . ?
C32 C31 H31A 109.7 . . ?
C30 C31 H31B 109.7 . . ?
C32 C31 H31B 109.7 . . ?
H31A C31 H31B 108.2 . . ?
C28 C32 C31 101.4(7) . . ?
C28 C32 H32A 111.5 . . ?
C31 C32 H32A 111.5 . . ?
C28 C32 H32B 111.5 . . ?
C31 C32 H32B 111.5 . . ?
H32A C32 H32B 109.3 . . ?
Si1 C33 H33A 109.5 . . ?
Si1 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
Si1 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Si1 C34 H34A 109.5 . . ?
Si1 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
Si1 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Si1 C35 H35A 109.5 . . ?
Si1 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
Si1 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
Si2 C36 H36A 109.5 . . ?
Si2 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
Si2 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
Si2 C37 H37A 109.5 . . ?
Si2 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
Si2 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
Si2 C38 H38A 109.5 . . ?
Si2 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
Si2 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5B Si2A N1 Si1A 3.2(9) . . . . ?
C7B Si2A N1 Si1A 136.6(6) . . . . ?
C8B Si2A N1 Si1A -114.5(6) . . . . ?
C5B Si2A N1 Sn1B -157.0(7) . . . . ?
C7B Si2A N1 Sn1B -23.6(8) . . . . ?
C8B Si2A N1 Sn1B 85.3(6) . . . . ?
C5B Si1B N1 Si2B 1.5(9) . . . . ?
C6B Si1B N1 Si2B -118.1(10) . . . . ?
C4B Si1B N1 Si2B 123.6(8) . . . . ?
C5B Si1B N1 Sn1A 148.6(8) . . . . ?
C6B Si1B N1 Sn1A 29.0(12) . . . . ?
C4B Si1B N1 Sn1A -89.2(9) . . . . ?
C34 Si1 N2 Si2 87.4(8) . . . . ?
C35 Si1 N2 Si2 -36.0(7) . . . . ?
C33 Si1 N2 Si2 -147.4(8) . . . . ?
C34 Si1 N2 Sn1B -71.3(8) . . . . ?
C35 Si1 N2 Sn1B 165.3(5) . . . . ?
C33 Si1 N2 Sn1B 54.0(8) . . . . ?
C34 Si1 N2 Sn1A -99.2(8) . . . . ?
C35 Si1 N2 Sn1A 137.4(5) . . . . ?
C33 Si1 N2 Sn1A 26.1(8) . . . . ?
C37 Si2 N2 Si1 -166.0(6) . . . . ?
C38 Si2 N2 Si1 -48.7(6) . . . . ?
C36 Si2 N2 Si1 71.6(7) . . . . ?
C37 Si2 N2 Sn1B -9.8(8) . . . . ?
C38 Si2 N2 Sn1B 107.5(6) . . . . ?
C36 Si2 N2 Sn1B -132.3(7) . . . . ?
C37 Si2 N2 Sn1A 21.5(8) . . . . ?
C38 Si2 N2 Sn1A 138.8(5) . . . . ?
C36 Si2 N2 Sn1A -101.0(7) . . . . ?
C23 P1 C1 C2 -131.9(6) . . . . ?
C28 P1 C1 C2 114.5(5) . . . . ?
Au1 P1 C1 C2 -4.0(6) . . . . ?
C23 P1 C1 C6 54.3(6) . . . . ?
C28 P1 C1 C6 -59.4(6) . . . . ?
Au1 P1 C1 C6 -177.8(4) . . . . ?
C6 C1 C2 C3 2.6(9) . . . . ?
P1 C1 C2 C3 -171.6(5) . . . . ?
C6 C1 C2 C7 -174.1(6) . . . . ?
P1 C1 C2 C7 11.7(9) . . . . ?
C1 C2 C3 C4 0.2(11) . . . . ?
C7 C2 C3 C4 177.3(7) . . . . ?
C2 C3 C4 C5 -3.0(12) . . . . ?
C3 C4 C5 C6 3.0(12) . . . . ?
C4 C5 C6 C1 -0.2(11) . . . . ?
C4 C5 C6 C15 -174.1(7) . . . . ?
C2 C1 C6 C5 -2.6(9) . . . . ?
P1 C1 C6 C5 171.3(5) . . . . ?
C2 C1 C6 C15 170.6(6) . . . . ?
P1 C1 C6 C15 -15.5(9) . . . . ?
C3 C2 C7 C12 -98.2(8) . . . . ?
C1 C2 C7 C12 78.6(9) . . . . ?
C3 C2 C7 C8 70.9(8) . . . . ?
C1 C2 C7 C8 -112.3(8) . . . . ?
C12 C7 C8 C9 -0.7(10) . . . . ?
C2 C7 C8 C9 -169.8(6) . . . . ?
C12 C7 C8 C13 176.9(7) . . . . ?
C2 C7 C8 C13 7.8(10) . . . . ?
C7 C8 C9 C10 0.6(11) . . . . ?
C13 C8 C9 C10 -177.0(7) . . . . ?
C8 C9 C10 C11 -0.5(12) . . . . ?
C9 C10 C11 C12 0.4(12) . . . . ?
C10 C11 C12 C7 -0.4(11) . . . . ?
C10 C11 C12 C14 175.1(8) . . . . ?
C8 C7 C12 C11 0.5(10) . . . . ?
C2 C7 C12 C11 169.7(6) . . . . ?
C8 C7 C12 C14 -174.8(7) . . . . ?
C2 C7 C12 C14 -5.7(10) . . . . ?
C5 C6 C15 C16 87.0(8) . . . . ?
C1 C6 C15 C16 -86.5(8) . . . . ?
C5 C6 C15 C20 -84.7(8) . . . . ?
C1 C6 C15 C20 101.8(8) . . . . ?
C20 C15 C16 C17 -6.9(10) . . . . ?
C6 C15 C16 C17 -178.8(6) . . . . ?
C20 C15 C16 C21 170.7(7) . . . . ?
C6 C15 C16 C21 -1.2(10) . . . . ?
C15 C16 C17 C18 2.3(11) . . . . ?
C21 C16 C17 C18 -175.3(7) . . . . ?
C16 C17 C18 C19 2.2(12) . . . . ?
C17 C18 C19 C20 -2.2(12) . . . . ?
C16 C15 C20 C19 6.8(10) . . . . ?
C6 C15 C20 C19 178.5(6) . . . . ?
C16 C15 C20 C22 -168.5(7) . . . . ?
C6 C15 C20 C22 3.2(10) . . . . ?
C18 C19 C20 C15 -2.3(11) . . . . ?
C18 C19 C20 C22 173.1(7) . . . . ?
C28 P1 C23 C24 -169.0(7) . . . . ?
C1 P1 C23 C24 80.6(7) . . . . ?
Au1 P1 C23 C24 -52.2(7) . . . . ?
C28 P1 C23 C27 -51.5(8) . . . . ?
C1 P1 C23 C27 -161.8(7) . . . . ?
Au1 P1 C23 C27 65.4(8) . . . . ?
C27 C23 C24 C25 39.9(12) . . . . ?
P1 C23 C24 C25 164.3(9) . . . . ?
C23 C24 C25 C26 -29.3(18) . . . . ?
C24 C25 C26 C27 5.3(19) . . . . ?
C25 C26 C27 C23 19.7(15) . . . . ?
C24 C23 C27 C26 -37.3(11) . . . . ?
P1 C23 C27 C26 -162.3(8) . . . . ?
C23 P1 C28 C29 -173.4(5) . . . . ?
C1 P1 C28 C29 -59.0(5) . . . . ?
Au1 P1 C28 C29 67.7(5) . . . . ?
C23 P1 C28 C32 70.2(6) . . . . ?
C1 P1 C28 C32 -175.4(6) . . . . ?
Au1 P1 C28 C32 -48.7(6) . . . . ?
C32 C28 C29 C30 -37.2(8) . . . . ?
P1 C28 C29 C30 -160.4(5) . . . . ?
C28 C29 C30 C31 23.0(10) . . . . ?
C29 C30 C31 C32 0.0(12) . . . . ?
C29 C28 C32 C31 35.8(8) . . . . ?
P1 C28 C32 C31 156.4(7) . . . . ?
C30 C31 C32 C28 -22.7(11) . . . . ?

_refine_diff_density_max         2.233
_refine_diff_density_min         -4.765
_refine_diff_density_rms         0.154

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_007c-19010
_database_code_depnum_ccdc_archive 'CCDC 1897309'
loop_
_audit_author_name
_audit_author_address
'JESUSCM Campos'
;Universidad de Sevilla CSIC
Spain
;
_audit_update_record             
;
2019-02-14 deposited with the CCDC.	2019-05-23 downloaded from the CCDC.
;

_vrf_PLAT910_007c-19010          
;
PROBLEM:
RESPONSE: The crystal was removed and destroyed before 
additional data could be collected.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C54 H72 Au2 N P2 Si2, C2 F6 N O4 S2'
_chemical_formula_sum            'C56 H72 Au2 F6 N2 O4 P2 S2 Si2'
_chemical_formula_weight         1527.32

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

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

_cell_length_a                   12.3889(2)
_cell_length_b                   14.0629(3)
_cell_length_c                   19.0624(3)
_cell_angle_alpha                82.064(2)
_cell_angle_beta                 78.105(2)
_cell_angle_gamma                72.256(2)
_cell_volume                     3085.10(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    59822
_cell_measurement_theta_min      3.0010
_cell_measurement_theta_max      27.4320

_exptl_crystal_description       Plate
_exptl_crystal_colour            Orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.644
_exptl_crystal_F_000             1512
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    4.970
_shelx_estimated_absorpt_T_min   0.436
_shelx_estimated_absorpt_T_max   0.692
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.58969
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
; 
CrysAlisPro 1.171.39.16b (Rigaku Oxford Diffraction, 2015) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'microfocus rotating anode'
_diffrn_measurement_device_type  'Dectris Pilatus 3R'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.8
_diffrn_reflns_number            139393
_diffrn_reflns_av_unetI/netI     0.0241
_diffrn_reflns_av_R_equivalents  0.0529
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.920
_diffrn_reflns_theta_max         27.483
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             14144
_reflns_number_gt                12608
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'CrysAlisPro 1.171.39.16b (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.16b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.16b (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'CIFTAB-2014/2 (Sheldrick, 2014)'
_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
  
The hydrogen atoms were first found in the difference map, then generated 
geometrically and refined as riding atoms with C-H distances = 0.95 - 0.99 
angstroms and Uiso(H) = 1.2 times Ueq(C) for CH and CH2 groups and Uiso(H) 
= 1.5 times Ueq(C) for CH3 groups. 

One xylyl and the triflate complexes are disordered in complementing orientations.
There site occupancies were freely refined in linked variables to relative ratios
of 0.57/0.43. The minor component is distinguished with the suffix "B". Similarity
restraints were applied to all disordered, chemically equivalent bond distances.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0175P)²+3.0017P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     SHELXT
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14144
_refine_ls_number_parameters     850
_refine_ls_number_restraints     90
_refine_ls_R_factor_all          0.0239
_refine_ls_R_factor_gt           0.0189
_refine_ls_wR_factor_ref         0.0448
_refine_ls_wR_factor_gt          0.0434
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.74122(2) 0.12369(2) 0.76332(2) 0.01399(3) Uani 1 1 d . . . . .
Au2 Au 0.80479(2) 0.27219(2) 0.82566(2) 0.01362(3) Uani 1 1 d . . . . .
P1 P 0.67022(5) 0.14668(4) 0.66120(3) 0.01514(11) Uani 1 1 d . . . . .
P2 P 0.75322(5) 0.43976(4) 0.80142(3) 0.01419(11) Uani 1 1 d . . . . .
Si1 Si 0.73501(6) 0.10435(5) 0.93402(3) 0.02051(13) Uani 1 1 d . . . . .
Si2 Si 0.97120(6) 0.04179(5) 0.82989(4) 0.01914(13) Uani 1 1 d . . . . .
N1 N 0.82575(16) 0.11631(13) 0.85029(10) 0.0153(4) Uani 1 1 d . . . . .
C1 C 0.5972(2) 0.27865(18) 0.64378(15) 0.0281(6) Uani 1 1 d . . . . .
H1A H 0.5342 0.3007 0.6838 0.042 Uiso 1 1 calc R U . . .
H1B H 0.5661 0.2886 0.5992 0.042 Uiso 1 1 calc R U . . .
H1C H 0.6520 0.3178 0.6390 0.042 Uiso 1 1 calc R U . . .
C2 C 0.7909(2) 0.13442(19) 0.58723(13) 0.0225(5) Uani 1 1 d . . . . .
H2A H 0.8275 0.1872 0.5870 0.034 Uiso 1 1 calc R U . . .
H2B H 0.7634 0.1407 0.5417 0.034 Uiso 1 1 calc R U . . .
H2C H 0.8470 0.0687 0.5931 0.034 Uiso 1 1 calc R U . . .
C3 C 0.5808(2) 0.06783(17) 0.65015(12) 0.0179(5) Uani 1 1 d . . . . .
C4 C 0.6334(2) -0.02926(17) 0.62568(12) 0.0179(5) Uani 1 1 d . . . . .
C5 C 0.5642(2) -0.08643(19) 0.61588(15) 0.0270(5) Uani 1 1 d . . . . .
H5 H 0.5993 -0.1505 0.5979 0.032 Uiso 1 1 calc R U . . .
C6 C 0.4452(2) -0.0517(2) 0.63185(16) 0.0330(6) Uani 1 1 d . . . . .
H6 H 0.3992 -0.0911 0.6242 0.040 Uiso 1 1 calc R U . . .
C7 C 0.3944(2) 0.0406(2) 0.65902(16) 0.0340(6) Uani 1 1 d . . . . .
H7 H 0.3129 0.0637 0.6710 0.041 Uiso 1 1 calc R U . . .
C8 C 0.4595(2) 0.1006(2) 0.66935(15) 0.0269(6) Uani 1 1 d D . . . .
C9 C 0.7609(2) -0.07591(16) 0.61166(13) 0.0195(5) Uani 1 1 d . . . . .
C10 C 0.8185(2) -0.11983(17) 0.66939(16) 0.0277(6) Uani 1 1 d . . . . .
C11 C 0.9395(3) -0.15778(19) 0.6540(2) 0.0463(9) Uani 1 1 d . . . . .
H11 H 0.9810 -0.1866 0.6921 0.056 Uiso 1 1 calc R U . . .
C12 C 0.9988(3) -0.1535(2) 0.5837(3) 0.0535(11) Uani 1 1 d . . . . .
H12 H 1.0804 -0.1765 0.5743 0.064 Uiso 1 1 calc R U . . .
C13 C 0.9398(3) -0.1165(2) 0.5286(2) 0.0440(8) Uani 1 1 d . . . . .
H13 H 0.9810 -0.1166 0.4807 0.053 Uiso 1 1 calc R U . . .
C14 C 0.8210(2) -0.07856(18) 0.54061(15) 0.0289(6) Uani 1 1 d . . . . .
C15 C 0.7537(3) -0.1301(2) 0.74432(16) 0.0410(8) Uani 1 1 d . . . . .
H15A H 0.6970 -0.0660 0.7559 0.061 Uiso 1 1 calc R U . . .
H15B H 0.8076 -0.1495 0.7784 0.061 Uiso 1 1 calc R U . . .
H15C H 0.7140 -0.1816 0.7477 0.061 Uiso 1 1 calc R U . . .
C16 C 0.7600(3) -0.0388(2) 0.47790(16) 0.0412(8) Uani 1 1 d . . . . .
H16A H 0.7154 -0.0833 0.4724 0.062 Uiso 1 1 calc R U . . .
H16B H 0.8166 -0.0354 0.4341 0.062 Uiso 1 1 calc R U . . .
H16C H 0.7080 0.0284 0.4862 0.062 Uiso 1 1 calc R U . . .
C17B C 0.3980(11) 0.2089(7) 0.6903(5) 0.018(2) Uani 0.430(3) 1 d D . P A 1
C17 C 0.3932(8) 0.1870(6) 0.7134(4) 0.0210(17) Uani 0.570(3) 1 d D . P A 2
C18B C 0.3807(9) 0.2179(7) 0.7651(5) 0.0250(19) Uani 0.430(3) 1 d D . P A 1
C18 C 0.3882(6) 0.1803(6) 0.7876(4) 0.0259(15) Uani 0.570(3) 1 d D . P A 2
C19B C 0.3259(8) 0.3116(8) 0.7919(5) 0.037(2) Uani 0.430(3) 1 d D . P A 1
H19B H 0.3138 0.3181 0.8420 0.044 Uiso 0.430(3) 1 calc R U P A 1
C19 C 0.3290(5) 0.2640(5) 0.8246(4) 0.0391(15) Uani 0.570(3) 1 d D . P A 2
H19 H 0.3249 0.2609 0.8751 0.047 Uiso 0.570(3) 1 calc R U P A 2
C20B C 0.2892(7) 0.3947(6) 0.7457(6) 0.041(2) Uani 0.430(3) 1 d D . P A 1
H20B H 0.2563 0.4588 0.7639 0.049 Uiso 0.430(3) 1 calc R U P A 1
C20 C 0.2758(6) 0.3520(7) 0.7883(4) 0.0452(19) Uani 0.570(3) 1 d D . P A 2
H20 H 0.2364 0.4096 0.8138 0.054 Uiso 0.570(3) 1 calc R U P A 2
C21B C 0.3001(6) 0.3854(5) 0.6729(5) 0.0325(17) Uani 0.430(3) 1 d D . P A 1
H21B H 0.2719 0.4425 0.6419 0.039 Uiso 0.430(3) 1 calc R U P A 1
C21 C 0.2794(5) 0.3571(5) 0.7152(4) 0.0406(14) Uani 0.570(3) 1 d D . P A 2
H21 H 0.2428 0.4183 0.6908 0.049 Uiso 0.570(3) 1 calc R U P A 2
C22B C 0.3526(7) 0.2919(5) 0.6451(5) 0.0190(16) Uani 0.430(3) 1 d D . P A 1
C22 C 0.3363(6) 0.2732(5) 0.6765(4) 0.0278(14) Uani 0.570(3) 1 d D . P A 2
C23B C 0.4184(9) 0.1293(8) 0.8166(5) 0.033(2) Uani 0.430(3) 1 d D . P A 1
H23A H 0.3892 0.0752 0.8083 0.049 Uiso 0.430(3) 1 calc R U P A 1
H23B H 0.3882 0.1482 0.8660 0.049 Uiso 0.430(3) 1 calc R U P A 1
H23C H 0.5027 0.1065 0.8093 0.049 Uiso 0.430(3) 1 calc R U P A 1
C23 C 0.4417(7) 0.0830(5) 0.8287(4) 0.0320(15) Uani 0.570(3) 1 d D . P A 2
H23D H 0.4107 0.0305 0.8193 0.048 Uiso 0.570(3) 1 calc R U P A 2
H23E H 0.4236 0.0919 0.8803 0.048 Uiso 0.570(3) 1 calc R U P A 2
H23F H 0.5253 0.0634 0.8131 0.048 Uiso 0.570(3) 1 calc R U P A 2
C24B C 0.3659(8) 0.2829(6) 0.5659(5) 0.0271(18) Uani 0.430(3) 1 d D . P A 1
H24A H 0.4366 0.2303 0.5503 0.041 Uiso 0.430(3) 1 calc R U P A 1
H24B H 0.3701 0.3468 0.5393 0.041 Uiso 0.430(3) 1 calc R U P A 1
H24C H 0.2996 0.2656 0.5564 0.041 Uiso 0.430(3) 1 calc R U P A 1
C24 C 0.3354(6) 0.2790(5) 0.5974(4) 0.0332(15) Uani 0.570(3) 1 d D . P A 2
H24D H 0.2660 0.2647 0.5902 0.050 Uiso 0.570(3) 1 calc R U P A 2
H24E H 0.4037 0.2297 0.5746 0.050 Uiso 0.570(3) 1 calc R U P A 2
H24F H 0.3358 0.3463 0.5759 0.050 Uiso 0.570(3) 1 calc R U P A 2
C25 C 0.6786(2) 0.47258(18) 0.72486(13) 0.0209(5) Uani 1 1 d . . . . .
H25A H 0.7271 0.4361 0.6840 0.031 Uiso 1 1 calc R U . . .
H25B H 0.6622 0.5448 0.7117 0.031 Uiso 1 1 calc R U . . .
H25C H 0.6061 0.4545 0.7376 0.031 Uiso 1 1 calc R U . . .
C26 C 0.6351(2) 0.49426(18) 0.87185(13) 0.0218(5) Uani 1 1 d . . . . .
H26A H 0.5673 0.4738 0.8691 0.033 Uiso 1 1 calc R U . . .
H26B H 0.6166 0.5675 0.8653 0.033 Uiso 1 1 calc R U . . .
H26C H 0.6578 0.4708 0.9190 0.033 Uiso 1 1 calc R U . . .
C27 C 0.86533(19) 0.50513(16) 0.78685(12) 0.0149(4) Uani 1 1 d . . . . .
C28 C 0.92860(19) 0.51901(16) 0.71687(12) 0.0166(4) Uani 1 1 d . . . . .
C29 C 1.0105(2) 0.57141(18) 0.70678(14) 0.0220(5) Uani 1 1 d . . . . .
H29 H 1.0507 0.5824 0.6597 0.026 Uiso 1 1 calc R U . . .
C30 C 1.0346(2) 0.60773(19) 0.76371(14) 0.0256(5) Uani 1 1 d . . . . .
H30 H 1.0898 0.6441 0.7557 0.031 Uiso 1 1 calc R U . . .
C31 C 0.9774(2) 0.59054(19) 0.83249(14) 0.0244(5) Uani 1 1 d . . . . .
H31 H 0.9958 0.6136 0.8719 0.029 Uiso 1 1 calc R U . . .
C32 C 0.8935(2) 0.54018(17) 0.84521(12) 0.0180(5) Uani 1 1 d . . . . .
C33 C 0.9187(2) 0.47584(17) 0.65162(13) 0.0191(5) Uani 1 1 d . . . . .
C34 C 0.8626(2) 0.53746(18) 0.59793(13) 0.0232(5) Uani 1 1 d . . . . .
C35 C 0.8559(3) 0.4945(2) 0.53772(14) 0.0352(7) Uani 1 1 d . . . . .
H35 H 0.8161 0.5351 0.5017 0.042 Uiso 1 1 calc R U . . .
C36 C 0.9067(3) 0.3934(2) 0.53006(16) 0.0431(8) Uani 1 1 d . . . . .
H36 H 0.9005 0.3647 0.4893 0.052 Uiso 1 1 calc R U . . .
C37 C 0.9664(3) 0.3342(2) 0.58148(16) 0.0396(8) Uani 1 1 d . . . . .
H37 H 1.0025 0.2652 0.5751 0.048 Uiso 1 1 calc R U . . .
C38 C 0.9747(2) 0.37331(18) 0.64243(14) 0.0270(6) Uani 1 1 d . . . . .
C39 C 0.8077(2) 0.64860(18) 0.60427(14) 0.0271(6) Uani 1 1 d . . . . .
H39A H 0.7653 0.6598 0.6532 0.041 Uiso 1 1 calc R U . . .
H39B H 0.7546 0.6748 0.5699 0.041 Uiso 1 1 calc R U . . .
H39C H 0.8677 0.6831 0.5938 0.041 Uiso 1 1 calc R U . . .
C40 C 1.0427(2) 0.30714(19) 0.69691(16) 0.0363(7) Uani 1 1 d . . . . .
H40A H 1.0795 0.3464 0.7178 0.054 Uiso 1 1 calc R U . . .
H40B H 1.1019 0.2517 0.6733 0.054 Uiso 1 1 calc R U . . .
H40C H 0.9910 0.2803 0.7350 0.054 Uiso 1 1 calc R U . . .
C41 C 0.8390(2) 0.52431(17) 0.92203(12) 0.0190(5) Uani 1 1 d . . . . .
C42 C 0.7512(2) 0.60294(18) 0.95507(13) 0.0238(5) Uani 1 1 d . . . . .
C43 C 0.6987(3) 0.5855(2) 1.02537(14) 0.0316(6) Uani 1 1 d . . . . .
H43 H 0.6383 0.6377 1.0479 0.038 Uiso 1 1 calc R U . . .
C44 C 0.7328(3) 0.4935(2) 1.06312(14) 0.0336(6) Uani 1 1 d . . . . .
H44 H 0.6943 0.4821 1.1106 0.040 Uiso 1 1 calc R U . . .
C45 C 0.8233(2) 0.4177(2) 1.03179(14) 0.0285(6) Uani 1 1 d . . . . .
H45 H 0.8476 0.3552 1.0585 0.034 Uiso 1 1 calc R U . . .
C46 C 0.8788(2) 0.43224(18) 0.96168(13) 0.0228(5) Uani 1 1 d . . . . .
C47 C 0.7130(3) 0.70464(19) 0.91478(15) 0.0326(6) Uani 1 1 d . . . . .
H47A H 0.7718 0.7396 0.9102 0.049 Uiso 1 1 calc R U . . .
H47B H 0.6402 0.7441 0.9413 0.049 Uiso 1 1 calc R U . . .
H47C H 0.7022 0.6960 0.8668 0.049 Uiso 1 1 calc R U . . .
C48 C 0.9828(2) 0.35172(19) 0.93003(15) 0.0291(6) Uani 1 1 d . . . . .
H48A H 0.9731 0.3389 0.8828 0.044 Uiso 1 1 calc R U . . .
H48B H 0.9909 0.2901 0.9620 0.044 Uiso 1 1 calc R U . . .
H48C H 1.0520 0.3740 0.9248 0.044 Uiso 1 1 calc R U . . .
C49 C 0.5964(2) 0.2066(2) 0.93851(15) 0.0293(6) Uani 1 1 d . . . . .
H49A H 0.6104 0.2706 0.9421 0.044 Uiso 1 1 calc R U . . .
H49B H 0.5419 0.1924 0.9808 0.044 Uiso 1 1 calc R U . . .
H49C H 0.5643 0.2105 0.8950 0.044 Uiso 1 1 calc R U . . .
C50 C 0.8077(3) 0.1145(2) 1.00776(14) 0.0352(7) Uani 1 1 d . . . . .
H50A H 0.8797 0.0602 1.0069 0.053 Uiso 1 1 calc R U . . .
H50B H 0.7572 0.1093 1.0541 0.053 Uiso 1 1 calc R U . . .
H50C H 0.8245 0.1792 1.0011 0.053 Uiso 1 1 calc R U . . .
C51 C 0.6971(3) -0.0170(2) 0.94786(17) 0.0382(7) Uani 1 1 d . . . . .
H51A H 0.6697 -0.0264 0.9053 0.057 Uiso 1 1 calc R U . . .
H51B H 0.6364 -0.0156 0.9901 0.057 Uiso 1 1 calc R U . . .
H51C H 0.7653 -0.0725 0.9554 0.057 Uiso 1 1 calc R U . . .
C52 C 1.0694(2) 0.09536(19) 0.86426(15) 0.0279(6) Uani 1 1 d . . . . .
H52A H 1.0684 0.1611 0.8388 0.042 Uiso 1 1 calc R U . . .
H52B H 1.1479 0.0503 0.8561 0.042 Uiso 1 1 calc R U . . .
H52C H 1.0435 0.1027 0.9159 0.042 Uiso 1 1 calc R U . . .
C53 C 0.9855(2) -0.08952(18) 0.86967(16) 0.0298(6) Uani 1 1 d . . . . .
H53A H 0.9325 -0.1164 0.8523 0.045 Uiso 1 1 calc R U . . .
H53B H 0.9669 -0.0902 0.9222 0.045 Uiso 1 1 calc R U . . .
H53C H 1.0647 -0.1309 0.8554 0.045 Uiso 1 1 calc R U . . .
C54 C 1.0198(2) 0.0383(2) 0.73067(14) 0.0290(6) Uani 1 1 d . . . . .
H54A H 0.9784 0.0011 0.7116 0.044 Uiso 1 1 calc R U . . .
H54B H 1.1026 0.0051 0.7204 0.044 Uiso 1 1 calc R U . . .
H54C H 1.0038 0.1068 0.7079 0.044 Uiso 1 1 calc R U . . .
S1 S 0.66349(6) 0.31171(5) 0.23530(3) 0.02635(13) Uani 1 1 d D . . . .
S2B S 0.6075(2) 0.29324(11) 0.38721(8) 0.0207(5) Uani 0.430(3) 1 d D . P A 1
S2 S 0.67421(16) 0.29595(8) 0.37769(6) 0.0204(4) Uani 0.570(3) 1 d D . P A 2
F1 F 0.58874(17) 0.26783(16) 0.13050(10) 0.0514(5) Uani 1 1 d . . . . .
F2 F 0.48397(19) 0.25008(19) 0.23367(14) 0.0731(7) Uani 1 1 d . . . . .
F3 F 0.6487(2) 0.14061(14) 0.20386(11) 0.0568(6) Uani 1 1 d . . . . .
F4B F 0.5748(14) 0.4118(10) 0.4781(5) 0.079(5) Uani 0.430(3) 1 d D . P A 1
F4 F 0.5960(11) 0.4203(8) 0.4767(5) 0.055(2) Uani 0.570(3) 1 d D . P A 2
F5B F 0.7531(4) 0.3899(4) 0.3986(3) 0.0552(14) Uani 0.430(3) 1 d D . P A 1
F5 F 0.4582(3) 0.3627(4) 0.4361(3) 0.0914(18) Uani 0.570(3) 1 d D . P A 2
F6B F 0.5932(6) 0.4854(4) 0.3703(3) 0.0489(15) Uani 0.430(3) 1 d D . P A 1
F6 F 0.5274(4) 0.4761(3) 0.3757(2) 0.0493(11) Uani 0.570(3) 1 d D . P A 2
O1 O 0.77762(17) 0.28653(15) 0.19457(11) 0.0362(5) Uani 1 1 d . . . . .
O2 O 0.59274(17) 0.41235(14) 0.22703(11) 0.0353(5) Uani 1 1 d . . . . .
N3B N 0.6937(5) 0.2601(4) 0.3151(3) 0.0236(13) Uani 0.430(3) 1 d D . P A 1
N3 N 0.6322(5) 0.2684(4) 0.3137(2) 0.0305(11) Uani 0.570(3) 1 d D . P A 2
O4B O 0.4880(4) 0.3273(4) 0.3824(3) 0.0342(12) Uani 0.430(3) 1 d D . P A 1
O4 O 0.7647(3) 0.3422(3) 0.35811(19) 0.0339(9) Uani 0.570(3) 1 d D . P A 2
O5B O 0.6414(7) 0.2201(8) 0.4440(6) 0.0287(19) Uani 0.430(3) 1 d D . P A 1
O5 O 0.6844(5) 0.2159(7) 0.4328(4) 0.0318(16) Uani 0.570(3) 1 d D . P A 2
C55 C 0.5919(3) 0.2377(2) 0.19965(18) 0.0423(7) Uani 1 1 d . . . . .
C56B C 0.6404(5) 0.4029(4) 0.4095(3) 0.0267(14) Uani 0.430(3) 1 d D . P A 1
C56 C 0.5529(5) 0.3944(4) 0.4191(3) 0.0424(14) Uani 0.570(3) 1 d D . P A 2


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 N1 2.1112(18) . ?
Au1 P1 2.2420(6) . ?
Au1 Au2 2.90974(12) . ?
Au2 N1 2.1242(18) . ?
Au2 P2 2.2535(5) . ?
P1 C2 1.815(2) . ?
P1 C1 1.817(2) . ?
P1 C3 1.846(2) . ?
P2 C25 1.819(2) . ?
P2 C26 1.823(2) . ?
P2 C27 1.844(2) . ?
Si1 N1 1.772(2) . ?
Si1 C50 1.861(3) . ?
Si1 C49 1.869(3) . ?
Si1 C51 1.876(3) . ?
Si2 N1 1.780(2) . ?
Si2 C54 1.866(3) . ?
Si2 C53 1.867(3) . ?
Si2 C52 1.871(3) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C8 1.415(3) . ?
C3 C4 1.419(3) . ?
C4 C5 1.394(3) . ?
C4 C9 1.497(3) . ?
C5 C6 1.386(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.379(4) . ?
C6 H6 0.9500 . ?
C7 C8 1.388(4) . ?
C7 H7 0.9500 . ?
C8 C17 1.499(8) . ?
C8 C17B 1.548(10) . ?
C9 C10 1.404(3) . ?
C9 C14 1.404(4) . ?
C10 C11 1.411(4) . ?
C10 C15 1.499(4) . ?
C11 C12 1.391(6) . ?
C11 H11 0.9500 . ?
C12 C13 1.357(5) . ?
C12 H12 0.9500 . ?
C13 C14 1.386(4) . ?
C13 H13 0.9500 . ?
C14 C16 1.498(4) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17B C22B 1.394(9) . ?
C17B C18B 1.414(10) . ?
C17 C22 1.381(8) . ?
C17 C18 1.395(8) . ?
C18B C19B 1.399(14) . ?
C18B C23B 1.493(10) . ?
C18 C19 1.381(8) . ?
C18 C23 1.514(8) . ?
C19B C20B 1.380(10) . ?
C19B H19B 0.9500 . ?
C19 C20 1.378(9) . ?
C19 H19 0.9500 . ?
C20B C21B 1.387(10) . ?
C20B H20B 0.9500 . ?
C20 C21 1.377(9) . ?
C20 H20 0.9500 . ?
C21B C22B 1.400(8) . ?
C21B H21B 0.9500 . ?
C21 C22 1.396(8) . ?
C21 H21 0.9500 . ?
C22B C24B 1.504(9) . ?
C22 C24 1.501(8) . ?
C23B H23A 0.9800 . ?
C23B H23B 0.9800 . ?
C23B H23C 0.9800 . ?
C23 H23D 0.9800 . ?
C23 H23E 0.9800 . ?
C23 H23F 0.9800 . ?
C24B H24A 0.9800 . ?
C24B H24B 0.9800 . ?
C24B H24C 0.9800 . ?
C24 H24D 0.9800 . ?
C24 H24E 0.9800 . ?
C24 H24F 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C32 1.421(3) . ?
C27 C28 1.422(3) . ?
C28 C29 1.395(3) . ?
C28 C33 1.499(3) . ?
C29 C30 1.381(4) . ?
C29 H29 0.9500 . ?
C30 C31 1.383(4) . ?
C30 H30 0.9500 . ?
C31 C32 1.392(3) . ?
C31 H31 0.9500 . ?
C32 C41 1.498(3) . ?
C33 C34 1.401(3) . ?
C33 C38 1.415(3) . ?
C34 C35 1.397(4) . ?
C34 C39 1.513(3) . ?
C35 C36 1.383(4) . ?
C35 H35 0.9500 . ?
C36 C37 1.378(5) . ?
C36 H36 0.9500 . ?
C37 C38 1.387(4) . ?
C37 H37 0.9500 . ?
C38 C40 1.507(4) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C42 1.407(3) . ?
C41 C46 1.409(3) . ?
C42 C43 1.388(4) . ?
C42 C47 1.514(4) . ?
C43 C44 1.381(4) . ?
C43 H43 0.9500 . ?
C44 C45 1.385(4) . ?
C44 H44 0.9500 . ?
C45 C46 1.390(4) . ?
C45 H45 0.9500 . ?
C46 C48 1.512(4) . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
S1 O2 1.427(2) . ?
S1 O1 1.430(2) . ?
S1 N3 1.551(4) . ?
S1 N3B 1.657(5) . ?
S1 C55 1.827(3) . ?
S2B O5B 1.423(9) . ?
S2B O4B 1.430(5) . ?
S2B N3B 1.586(6) . ?
S2B C56B 1.833(6) . ?
S2 O4 1.423(4) . ?
S2 O5 1.424(7) . ?
S2 N3 1.558(5) . ?
S2 C56 1.829(5) . ?
F1 C55 1.332(4) . ?
F2 C55 1.331(4) . ?
F3 C55 1.332(4) . ?
F4B C56B 1.389(11) . ?
F4 C56 1.446(9) . ?
F5B C56B 1.327(7) . ?
F5 C56 1.342(7) . ?
F6B C56B 1.332(7) . ?
F6 C56 1.314(6) . ?

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
N1 Au1 P1 170.58(5) . . ?
N1 Au1 Au2 46.79(5) . . ?
P1 Au1 Au2 126.197(15) . . ?
N1 Au2 P2 171.10(5) . . ?
N1 Au2 Au1 46.42(5) . . ?
P2 Au2 Au1 128.144(15) . . ?
C2 P1 C1 98.78(13) . . ?
C2 P1 C3 109.83(11) . . ?
C1 P1 C3 110.87(11) . . ?
C2 P1 Au1 107.25(8) . . ?
C1 P1 Au1 109.57(9) . . ?
C3 P1 Au1 118.65(8) . . ?
C25 P2 C26 99.69(11) . . ?
C25 P2 C27 108.91(11) . . ?
C26 P2 C27 110.51(11) . . ?
C25 P2 Au2 109.59(8) . . ?
C26 P2 Au2 108.02(8) . . ?
C27 P2 Au2 118.47(7) . . ?
N1 Si1 C50 109.14(12) . . ?
N1 Si1 C49 110.33(10) . . ?
C50 Si1 C49 108.47(13) . . ?
N1 Si1 C51 112.04(12) . . ?
C50 Si1 C51 110.07(14) . . ?
C49 Si1 C51 106.71(14) . . ?
N1 Si2 C54 110.76(11) . . ?
N1 Si2 C53 110.17(11) . . ?
C54 Si2 C53 107.99(13) . . ?
N1 Si2 C52 110.83(11) . . ?
C54 Si2 C52 106.96(13) . . ?
C53 Si2 C52 110.03(12) . . ?
Si1 N1 Si2 123.52(10) . . ?
Si1 N1 Au1 111.43(10) . . ?
Si2 N1 Au1 109.55(9) . . ?
Si1 N1 Au2 106.14(9) . . ?
Si2 N1 Au2 113.36(10) . . ?
Au1 N1 Au2 86.79(6) . . ?
P1 C1 H1A 109.5 . . ?
P1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
P1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
P1 C2 H2A 109.5 . . ?
P1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
P1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C8 C3 C4 118.7(2) . . ?
C8 C3 P1 120.89(18) . . ?
C4 C3 P1 120.30(17) . . ?
C5 C4 C3 119.3(2) . . ?
C5 C4 C9 117.4(2) . . ?
C3 C4 C9 123.3(2) . . ?
C6 C5 C4 121.3(2) . . ?
C6 C5 H5 119.3 . . ?
C4 C5 H5 119.3 . . ?
C7 C6 C5 119.3(2) . . ?
C7 C6 H6 120.4 . . ?
C5 C6 H6 120.4 . . ?
C6 C7 C8 121.6(3) . . ?
C6 C7 H7 119.2 . . ?
C8 C7 H7 119.2 . . ?
C7 C8 C3 119.6(2) . . ?
C7 C8 C17 114.2(4) . . ?
C3 C8 C17 125.2(4) . . ?
C7 C8 C17B 119.3(5) . . ?
C3 C8 C17B 120.4(5) . . ?
C10 C9 C14 120.7(2) . . ?
C10 C9 C4 119.7(2) . . ?
C14 C9 C4 119.6(2) . . ?
C9 C10 C11 117.6(3) . . ?
C9 C10 C15 121.3(2) . . ?
C11 C10 C15 121.1(3) . . ?
C12 C11 C10 120.9(3) . . ?
C12 C11 H11 119.6 . . ?
C10 C11 H11 119.6 . . ?
C13 C12 C11 120.0(3) . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C12 C13 C14 121.5(3) . . ?
C12 C13 H13 119.2 . . ?
C14 C13 H13 119.2 . . ?
C13 C14 C9 119.0(3) . . ?
C13 C14 C16 119.5(3) . . ?
C9 C14 C16 121.6(2) . . ?
C10 C15 H15A 109.5 . . ?
C10 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C10 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C22B C17B C18B 119.5(8) . . ?
C22B C17B C8 127.1(7) . . ?
C18B C17B C8 113.2(7) . . ?
C22 C17 C18 121.9(7) . . ?
C22 C17 C8 116.3(6) . . ?
C18 C17 C8 121.8(6) . . ?
C19B C18B C17B 119.5(8) . . ?
C19B C18B C23B 118.9(9) . . ?
C17B C18B C23B 121.6(9) . . ?
C19 C18 C17 118.8(7) . . ?
C19 C18 C23 119.5(6) . . ?
C17 C18 C23 121.7(6) . . ?
C20B C19B C18B 120.3(8) . . ?
C20B C19B H19B 119.8 . . ?
C18B C19B H19B 119.8 . . ?
C20 C19 C18 120.1(7) . . ?
C20 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
C19B C20B C21B 120.4(7) . . ?
C19B C20B H20B 119.8 . . ?
C21B C20B H20B 119.8 . . ?
C21 C20 C19 120.5(6) . . ?
C21 C20 H20 119.7 . . ?
C19 C20 H20 119.7 . . ?
C20B C21B C22B 120.2(7) . . ?
C20B C21B H21B 119.9 . . ?
C22B C21B H21B 119.9 . . ?
C20 C21 C22 120.7(6) . . ?
C20 C21 H21 119.6 . . ?
C22 C21 H21 119.6 . . ?
C17B C22B C21B 119.7(8) . . ?
C17B C22B C24B 120.3(7) . . ?
C21B C22B C24B 119.8(7) . . ?
C17 C22 C21 117.8(7) . . ?
C17 C22 C24 122.2(6) . . ?
C21 C22 C24 120.0(7) . . ?
C18B C23B H23A 109.5 . . ?
C18B C23B H23B 109.5 . . ?
H23A C23B H23B 109.5 . . ?
C18B C23B H23C 109.5 . . ?
H23A C23B H23C 109.5 . . ?
H23B C23B H23C 109.5 . . ?
C18 C23 H23D 109.5 . . ?
C18 C23 H23E 109.5 . . ?
H23D C23 H23E 109.5 . . ?
C18 C23 H23F 109.5 . . ?
H23D C23 H23F 109.5 . . ?
H23E C23 H23F 109.5 . . ?
C22B C24B H24A 109.5 . . ?
C22B C24B H24B 109.5 . . ?
H24A C24B H24B 109.5 . . ?
C22B C24B H24C 109.5 . . ?
H24A C24B H24C 109.5 . . ?
H24B C24B H24C 109.5 . . ?
C22 C24 H24D 109.5 . . ?
C22 C24 H24E 109.5 . . ?
H24D C24 H24E 109.5 . . ?
C22 C24 H24F 109.5 . . ?
H24D C24 H24F 109.5 . . ?
H24E C24 H24F 109.5 . . ?
P2 C25 H25A 109.5 . . ?
P2 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
P2 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
P2 C26 H26A 109.5 . . ?
P2 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
P2 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C32 C27 C28 118.1(2) . . ?
C32 C27 P2 121.19(17) . . ?
C28 C27 P2 120.66(17) . . ?
C29 C28 C27 119.6(2) . . ?
C29 C28 C33 115.9(2) . . ?
C27 C28 C33 124.4(2) . . ?
C30 C29 C28 121.5(2) . . ?
C30 C29 H29 119.2 . . ?
C28 C29 H29 119.2 . . ?
C29 C30 C31 119.3(2) . . ?
C29 C30 H30 120.3 . . ?
C31 C30 H30 120.3 . . ?
C30 C31 C32 121.4(2) . . ?
C30 C31 H31 119.3 . . ?
C32 C31 H31 119.3 . . ?
C31 C32 C27 119.9(2) . . ?
C31 C32 C41 116.6(2) . . ?
C27 C32 C41 123.4(2) . . ?
C34 C33 C38 120.4(2) . . ?
C34 C33 C28 120.6(2) . . ?
C38 C33 C28 118.8(2) . . ?
C35 C34 C33 118.9(2) . . ?
C35 C34 C39 119.5(2) . . ?
C33 C34 C39 121.6(2) . . ?
C36 C35 C34 120.7(3) . . ?
C36 C35 H35 119.6 . . ?
C34 C35 H35 119.6 . . ?
C37 C36 C35 120.1(3) . . ?
C37 C36 H36 120.0 . . ?
C35 C36 H36 120.0 . . ?
C36 C37 C38 121.3(3) . . ?
C36 C37 H37 119.3 . . ?
C38 C37 H37 119.3 . . ?
C37 C38 C33 118.5(3) . . ?
C37 C38 C40 120.1(2) . . ?
C33 C38 C40 121.4(2) . . ?
C34 C39 H39A 109.5 . . ?
C34 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C34 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C42 C41 C46 120.3(2) . . ?
C42 C41 C32 119.7(2) . . ?
C46 C41 C32 119.9(2) . . ?
C43 C42 C41 118.8(2) . . ?
C43 C42 C47 120.2(2) . . ?
C41 C42 C47 121.0(2) . . ?
C44 C43 C42 121.0(3) . . ?
C44 C43 H43 119.5 . . ?
C42 C43 H43 119.5 . . ?
C43 C44 C45 120.1(3) . . ?
C43 C44 H44 120.0 . . ?
C45 C44 H44 120.0 . . ?
C44 C45 C46 120.8(2) . . ?
C44 C45 H45 119.6 . . ?
C46 C45 H45 119.6 . . ?
C45 C46 C41 118.8(2) . . ?
C45 C46 C48 120.2(2) . . ?
C41 C46 C48 121.0(2) . . ?
C42 C47 H47A 109.5 . . ?
C42 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C42 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
Si1 C49 H49A 109.5 . . ?
Si1 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
Si1 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
Si1 C50 H50A 109.5 . . ?
Si1 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
Si1 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
Si1 C51 H51A 109.5 . . ?
Si1 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
Si1 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
Si2 C52 H52A 109.5 . . ?
Si2 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
Si2 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
Si2 C53 H53A 109.5 . . ?
Si2 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
Si2 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
Si2 C54 H54A 109.5 . . ?
Si2 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
Si2 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
O2 S1 O1 118.17(12) . . ?
O2 S1 N3 108.8(2) . . ?
O1 S1 N3 123.5(2) . . ?
O2 S1 N3B 120.9(2) . . ?
O1 S1 N3B 98.8(2) . . ?
O2 S1 C55 104.48(14) . . ?
O1 S1 C55 103.76(14) . . ?
N3 S1 C55 92.5(2) . . ?
N3B S1 C55 109.6(3) . . ?
O5B S2B O4B 117.6(4) . . ?
O5B S2B N3B 108.3(5) . . ?
O4B S2B N3B 116.1(3) . . ?
O5B S2B C56B 103.0(5) . . ?
O4B S2B C56B 104.8(3) . . ?
N3B S2B C56B 105.3(3) . . ?
O4 S2 O5 118.2(3) . . ?
O4 S2 N3 115.3(2) . . ?
O5 S2 N3 110.0(4) . . ?
O4 S2 C56 103.5(3) . . ?
O5 S2 C56 102.8(4) . . ?
N3 S2 C56 105.1(3) . . ?
S2B N3B S1 121.5(4) . . ?
S1 N3 S2 122.0(3) . . ?
F2 C55 F3 109.1(3) . . ?
F2 C55 F1 107.7(3) . . ?
F3 C55 F1 107.8(3) . . ?
F2 C55 S1 111.7(2) . . ?
F3 C55 S1 111.5(2) . . ?
F1 C55 S1 108.8(2) . . ?
F5B C56B F6B 108.2(6) . . ?
F5B C56B F4B 121.3(8) . . ?
F6B C56B F4B 105.8(7) . . ?
F5B C56B S2B 111.2(4) . . ?
F6B C56B S2B 111.5(4) . . ?
F4B C56B S2B 98.5(7) . . ?
F6 C56 F5 106.3(5) . . ?
F6 C56 F4 106.4(6) . . ?
F5 C56 F4 118.2(6) . . ?
F6 C56 S2 112.6(4) . . ?
F5 C56 S2 109.8(4) . . ?
F4 C56 S2 103.6(6) . . ?

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
C50 Si1 N1 Si2 53.37(16) . . . . ?
C49 Si1 N1 Si2 172.47(13) . . . . ?
C51 Si1 N1 Si2 -68.80(17) . . . . ?
C50 Si1 N1 Au1 -172.91(11) . . . . ?
C49 Si1 N1 Au1 -53.82(13) . . . . ?
C51 Si1 N1 Au1 64.92(14) . . . . ?
C50 Si1 N1 Au2 -80.00(12) . . . . ?
C49 Si1 N1 Au2 39.10(13) . . . . ?
C51 Si1 N1 Au2 157.84(13) . . . . ?
C54 Si2 N1 Si1 157.68(13) . . . . ?
C53 Si2 N1 Si1 38.26(16) . . . . ?
C52 Si2 N1 Si1 -83.76(15) . . . . ?
C54 Si2 N1 Au1 23.24(14) . . . . ?
C53 Si2 N1 Au1 -96.18(12) . . . . ?
C52 Si2 N1 Au1 141.80(11) . . . . ?
C54 Si2 N1 Au2 -71.84(13) . . . . ?
C53 Si2 N1 Au2 168.74(11) . . . . ?
C52 Si2 N1 Au2 46.72(14) . . . . ?
C2 P1 C3 C8 -143.0(2) . . . . ?
C1 P1 C3 C8 -34.8(2) . . . . ?
Au1 P1 C3 C8 93.3(2) . . . . ?
C2 P1 C3 C4 40.4(2) . . . . ?
C1 P1 C3 C4 148.48(19) . . . . ?
Au1 P1 C3 C4 -83.44(19) . . . . ?
C8 C3 C4 C5 5.0(3) . . . . ?
P1 C3 C4 C5 -178.28(18) . . . . ?
C8 C3 C4 C9 -173.1(2) . . . . ?
P1 C3 C4 C9 3.7(3) . . . . ?
C3 C4 C5 C6 -2.2(4) . . . . ?
C9 C4 C5 C6 176.0(2) . . . . ?
C4 C5 C6 C7 -1.0(4) . . . . ?
C5 C6 C7 C8 1.4(5) . . . . ?
C6 C7 C8 C3 1.5(4) . . . . ?
C6 C7 C8 C17 -167.6(4) . . . . ?
C6 C7 C8 C17B 171.9(4) . . . . ?
C4 C3 C8 C7 -4.6(4) . . . . ?
P1 C3 C8 C7 178.7(2) . . . . ?
C4 C3 C8 C17 163.1(4) . . . . ?
P1 C3 C8 C17 -13.6(5) . . . . ?
C4 C3 C8 C17B -175.0(4) . . . . ?
P1 C3 C8 C17B 8.3(5) . . . . ?
C5 C4 C9 C10 -98.3(3) . . . . ?
C3 C4 C9 C10 79.8(3) . . . . ?
C5 C4 C9 C14 79.4(3) . . . . ?
C3 C4 C9 C14 -102.5(3) . . . . ?
C14 C9 C10 C11 5.9(3) . . . . ?
C4 C9 C10 C11 -176.5(2) . . . . ?
C14 C9 C10 C15 -171.5(2) . . . . ?
C4 C9 C10 C15 6.1(3) . . . . ?
C9 C10 C11 C12 -1.4(4) . . . . ?
C15 C10 C11 C12 176.1(3) . . . . ?
C10 C11 C12 C13 -2.9(4) . . . . ?
C11 C12 C13 C14 2.7(4) . . . . ?
C12 C13 C14 C9 1.8(4) . . . . ?
C12 C13 C14 C16 -179.9(3) . . . . ?
C10 C9 C14 C13 -6.2(4) . . . . ?
C4 C9 C14 C13 176.2(2) . . . . ?
C10 C9 C14 C16 175.5(2) . . . . ?
C4 C9 C14 C16 -2.1(3) . . . . ?
C7 C8 C17B C22B -77.0(11) . . . . ?
C3 C8 C17B C22B 93.4(11) . . . . ?
C7 C8 C17B C18B 97.7(9) . . . . ?
C3 C8 C17B C18B -91.9(9) . . . . ?
C7 C8 C17 C22 -86.0(7) . . . . ?
C3 C8 C17 C22 105.7(7) . . . . ?
C7 C8 C17 C18 93.4(8) . . . . ?
C3 C8 C17 C18 -75.0(8) . . . . ?
C22B C17B C18B C19B -4.7(16) . . . . ?
C8 C17B C18B C19B -179.9(8) . . . . ?
C22B C17B C18B C23B 174.5(9) . . . . ?
C8 C17B C18B C23B -0.7(14) . . . . ?
C22 C17 C18 C19 -3.0(12) . . . . ?
C8 C17 C18 C19 177.6(6) . . . . ?
C22 C17 C18 C23 174.4(7) . . . . ?
C8 C17 C18 C23 -4.9(12) . . . . ?
C17B C18B C19B C20B -0.2(15) . . . . ?
C23B C18B C19B C20B -179.5(8) . . . . ?
C17 C18 C19 C20 0.2(10) . . . . ?
C23 C18 C19 C20 -177.3(6) . . . . ?
C18B C19B C20B C21B 3.9(13) . . . . ?
C18 C19 C20 C21 1.1(10) . . . . ?
C19B C20B C21B C22B -2.5(12) . . . . ?
C19 C20 C21 C22 0.4(10) . . . . ?
C18B C17B C22B C21B 6.1(15) . . . . ?
C8 C17B C22B C21B -179.5(9) . . . . ?
C18B C17B C22B C24B -177.6(9) . . . . ?
C8 C17B C22B C24B -3.1(15) . . . . ?
C20B C21B C22B C17B -2.5(12) . . . . ?
C20B C21B C22B C24B -178.9(7) . . . . ?
C18 C17 C22 C21 4.4(12) . . . . ?
C8 C17 C22 C21 -176.2(6) . . . . ?
C18 C17 C22 C24 -176.2(7) . . . . ?
C8 C17 C22 C24 3.2(11) . . . . ?
C20 C21 C22 C17 -3.0(10) . . . . ?
C20 C21 C22 C24 177.5(6) . . . . ?
C25 P2 C27 C32 145.35(18) . . . . ?
C26 P2 C27 C32 36.8(2) . . . . ?
Au2 P2 C27 C32 -88.56(18) . . . . ?
C25 P2 C27 C28 -36.7(2) . . . . ?
C26 P2 C27 C28 -145.21(17) . . . . ?
Au2 P2 C27 C28 89.43(17) . . . . ?
C32 C27 C28 C29 -3.9(3) . . . . ?
P2 C27 C28 C29 178.02(16) . . . . ?
C32 C27 C28 C33 172.5(2) . . . . ?
P2 C27 C28 C33 -5.5(3) . . . . ?
C27 C28 C29 C30 2.1(3) . . . . ?
C33 C28 C29 C30 -174.7(2) . . . . ?
C28 C29 C30 C31 1.0(4) . . . . ?
C29 C30 C31 C32 -2.1(4) . . . . ?
C30 C31 C32 C27 0.1(4) . . . . ?
C30 C31 C32 C41 178.9(2) . . . . ?
C28 C27 C32 C31 2.9(3) . . . . ?
P2 C27 C32 C31 -179.10(18) . . . . ?
C28 C27 C32 C41 -175.9(2) . . . . ?
P2 C27 C32 C41 2.2(3) . . . . ?
C29 C28 C33 C34 -76.1(3) . . . . ?
C27 C28 C33 C34 107.3(3) . . . . ?
C29 C28 C33 C38 99.0(3) . . . . ?
C27 C28 C33 C38 -77.6(3) . . . . ?
C38 C33 C34 C35 4.5(4) . . . . ?
C28 C33 C34 C35 179.5(2) . . . . ?
C38 C33 C34 C39 -176.5(2) . . . . ?
C28 C33 C34 C39 -1.4(4) . . . . ?
C33 C34 C35 C36 -1.9(4) . . . . ?
C39 C34 C35 C36 179.1(3) . . . . ?
C34 C35 C36 C37 -1.1(5) . . . . ?
C35 C36 C37 C38 1.6(5) . . . . ?
C36 C37 C38 C33 1.0(4) . . . . ?
C36 C37 C38 C40 -178.7(3) . . . . ?
C34 C33 C38 C37 -4.0(4) . . . . ?
C28 C33 C38 C37 -179.2(2) . . . . ?
C34 C33 C38 C40 175.6(2) . . . . ?
C28 C33 C38 C40 0.5(4) . . . . ?
C31 C32 C41 C42 80.0(3) . . . . ?
C27 C32 C41 C42 -101.3(3) . . . . ?
C31 C32 C41 C46 -97.5(3) . . . . ?
C27 C32 C41 C46 81.3(3) . . . . ?
C46 C41 C42 C43 -5.1(4) . . . . ?
C32 C41 C42 C43 177.5(2) . . . . ?
C46 C41 C42 C47 175.8(2) . . . . ?
C32 C41 C42 C47 -1.6(4) . . . . ?
C41 C42 C43 C44 1.3(4) . . . . ?
C47 C42 C43 C44 -179.6(3) . . . . ?
C42 C43 C44 C45 2.1(4) . . . . ?
C43 C44 C45 C46 -1.6(4) . . . . ?
C44 C45 C46 C41 -2.1(4) . . . . ?
C44 C45 C46 C48 175.5(2) . . . . ?
C42 C41 C46 C45 5.5(4) . . . . ?
C32 C41 C46 C45 -177.1(2) . . . . ?
C42 C41 C46 C48 -172.1(2) . . . . ?
C32 C41 C46 C48 5.3(3) . . . . ?
O5B S2B N3B S1 165.2(6) . . . . ?
O4B S2B N3B S1 30.3(6) . . . . ?
C56B S2B N3B S1 -85.1(5) . . . . ?
O2 S1 N3B S2B 29.1(6) . . . . ?
O1 S1 N3B S2B 159.5(4) . . . . ?
C55 S1 N3B S2B -92.4(4) . . . . ?
O2 S1 N3 S2 -77.2(4) . . . . ?
O1 S1 N3 S2 68.2(4) . . . . ?
C55 S1 N3 S2 176.6(4) . . . . ?
O4 S2 N3 S1 -14.9(5) . . . . ?
O5 S2 N3 S1 -151.7(4) . . . . ?
C56 S2 N3 S1 98.3(4) . . . . ?
O2 S1 C55 F2 -57.5(3) . . . . ?
O1 S1 C55 F2 178.1(2) . . . . ?
N3 S1 C55 F2 52.7(3) . . . . ?
N3B S1 C55 F2 73.4(3) . . . . ?
O2 S1 C55 F3 -179.9(2) . . . . ?
O1 S1 C55 F3 55.7(2) . . . . ?
N3 S1 C55 F3 -69.7(3) . . . . ?
N3B S1 C55 F3 -49.0(3) . . . . ?
O2 S1 C55 F1 61.3(2) . . . . ?
O1 S1 C55 F1 -63.1(2) . . . . ?
N3 S1 C55 F1 171.5(3) . . . . ?
N3B S1 C55 F1 -167.8(3) . . . . ?
O5B S2B C56B F5B 71.7(6) . . . . ?
O4B S2B C56B F5B -164.7(4) . . . . ?
N3B S2B C56B F5B -41.7(5) . . . . ?
O5B S2B C56B F6B -167.4(6) . . . . ?
O4B S2B C56B F6B -43.8(5) . . . . ?
N3B S2B C56B F6B 79.1(5) . . . . ?
O5B S2B C56B F4B -56.7(7) . . . . ?
O4B S2B C56B F4B 66.9(7) . . . . ?
N3B S2B C56B F4B -170.1(6) . . . . ?
O4 S2 C56 F6 57.6(5) . . . . ?
O5 S2 C56 F6 -178.8(5) . . . . ?
N3 S2 C56 F6 -63.7(5) . . . . ?
O4 S2 C56 F5 175.9(4) . . . . ?
O5 S2 C56 F5 -60.5(5) . . . . ?
N3 S2 C56 F5 54.6(4) . . . . ?
O4 S2 C56 F4 -56.9(5) . . . . ?
O5 S2 C56 F4 66.6(6) . . . . ?
N3 S2 C56 F4 -178.3(5) . . . . ?

_refine_diff_density_max         1.088
_refine_diff_density_min         -0.604
_refine_diff_density_rms         0.082

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_jcm3019a
_database_code_depnum_ccdc_archive 'CCDC 1897311'
loop_
_audit_author_name
_audit_author_address
'JESUSCM Campos'
;CSIC
Spain
;
_audit_update_record             
;
2019-05-02 deposited with the CCDC.	2019-05-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H51 Cl7 P2 Pt2 Sn3, C12 H27 P'
_chemical_formula_sum            'C36 H78 Cl7 P3 Pt2 Sn3'
_chemical_formula_weight         1598.29

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'

_cell_length_a                   15.0060(8)
_cell_length_b                   15.1859(7)
_cell_length_c                   29.4759(16)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6717.0(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    8790
_cell_measurement_theta_min      2.36
_cell_measurement_theta_max      28.74

_exptl_crystal_description       plate
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.580
_exptl_crystal_F_000             3056
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.250
_exptl_absorpt_coefficient_mu    5.620
_shelx_estimated_absorpt_T_min   0.212
_shelx_estimated_absorpt_T_max   0.334
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1373
_exptl_absorpt_correction_T_max  0.2461
_exptl_absorpt_process_details   
;
program SADABS, Bruker (2001).
;
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  
;
 Bruker-Nonius X8kappa APEX II CCD area detector
;
_diffrn_measurement_method       'phi and omega scans with narrow frames'
_diffrn_detector_area_resol_mean 8.2
_diffrn_reflns_number            52412
_diffrn_reflns_av_unetI/netI     0.1183
_diffrn_reflns_av_R_equivalents  0.1527
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_theta_min         1.508
_diffrn_reflns_theta_max         25.020
_diffrn_reflns_theta_full        25.020
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measured_fraction_theta_full 0.967
_diffrn_reflns_Laue_measured_fraction_max 0.967
_diffrn_reflns_Laue_measured_fraction_full 0.967
_diffrn_reflns_point_group_measured_fraction_max 0.967
_diffrn_reflns_point_group_measured_fraction_full 0.967
_reflns_number_total             11487
_reflns_number_gt                8568
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.816
_reflns_Friedel_fraction_max     0.968
_reflns_Friedel_fraction_full    0.968

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 Structure factors included contributions from the .fab file. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. Completness statistics refer to single and 
 composite reflections containing twin component 1 only. 
;

_refine_special_details          .

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.087 0.750 827 419 ' '
2 0.500 0.245 0.250 827 419 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          
;
The unit cell contains ca. 20 dichloromethane molecules,
which have been treated  as a diffuse contribution to
 the overall scattering without specific atom positions
 by SQUEEZE/PLATON.
;




_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0774P)²+0.8032P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
; 
 Refined as an inversion twin. 
;
_refine_ls_abs_structure_Flack   0.514(13)
_chemical_absolute_configuration .
_refine_ls_number_reflns         11487
_refine_ls_number_parameters     486
_refine_ls_number_restraints     432
_refine_ls_R_factor_all          0.0970
_refine_ls_R_factor_gt           0.0646
_refine_ls_wR_factor_ref         0.1590
_refine_ls_wR_factor_gt          0.1504
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_restrained_S_all      1.064
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.80296(5) 0.50745(7) 0.07485(2) 0.0312(2) Uani 1 1 d . . . . .
Pt2 Pt 0.98026(4) 0.50402(8) 0.05819(2) 0.0318(2) Uani 1 1 d . . . . .
Sn1 Sn 0.87754(11) 0.62959(11) 0.02660(6) 0.0352(4) Uani 1 1 d . . . . .
Sn2 Sn 0.87129(12) 0.38645(11) 0.02474(6) 0.0380(4) Uani 1 1 d . . . . .
Sn3 Sn 0.89403(10) 0.50507(14) 0.14995(5) 0.0472(4) Uani 1 1 d . . . . .
Cl1 Cl 1.0148(5) 0.5900(5) 0.1820(2) 0.0628(19) Uani 1 1 d . . . . .
Cl2 Cl 0.9462(5) 0.3649(4) 0.1771(2) 0.0558(17) Uani 1 1 d . . . . .
Cl3 Cl 0.8105(5) 0.5367(5) 0.2187(2) 0.069(2) Uani 1 1 d . . . . .
Cl4 Cl 0.9105(7) 0.7795(5) 0.0442(3) 0.074(3) Uani 1 1 d . . . . .
Cl5 Cl 0.8691(6) 0.6522(5) -0.0532(2) 0.062(2) Uani 1 1 d . . . . .
Cl6 Cl 0.8589(6) 0.3737(6) -0.0563(3) 0.069(2) Uani 1 1 d . . . . .
Cl7 Cl 0.8945(6) 0.2331(5) 0.0381(3) 0.067(2) Uani 1 1 d . . . . .
P1 P 0.6477(3) 0.5016(5) 0.07807(15) 0.0356(12) Uani 1 1 d . . . . .
P2 P 1.1292(3) 0.4939(5) 0.03966(17) 0.0400(13) Uani 1 1 d . . . . .
P3 P 0.0059(5) 0.4633(4) 0.3040(2) 0.0468(16) Uani 1 1 d . . . . .
H1 H -0.022283 0.475435 0.262530 0.070 Uiso 1 1 d R U . . .
C1 C 0.609(2) 0.4053(19) 0.1186(9) 0.056(4) Uani 1 1 d . U . . .
C2 C 0.514(2) 0.380(2) 0.1074(10) 0.058(5) Uani 1 1 d . U . . .
H2A H 0.504790 0.381982 0.074503 0.087 Uiso 0.5 1 calc R U P . .
H2B H 0.472540 0.420866 0.122219 0.087 Uiso 0.5 1 calc R U P . .
H2C H 0.502077 0.319885 0.118347 0.087 Uiso 0.5 1 calc R U P . .
C3 C 0.6201(19) 0.4318(19) 0.1678(9) 0.061(5) Uani 1 1 d . U . . .
H3A H 0.573665 0.474257 0.176056 0.091 Uiso 1 1 calc R U . . .
H3B H 0.678859 0.458822 0.171990 0.091 Uiso 1 1 calc R U . . .
H3C H 0.615148 0.379578 0.187121 0.091 Uiso 1 1 calc R U . . .
C4 C 0.6684(18) 0.3261(18) 0.1115(9) 0.055(5) Uani 1 1 d . U . . .
H4A H 0.730357 0.342546 0.117676 0.082 Uiso 1 1 calc R U . . .
H4B H 0.663038 0.305703 0.080088 0.082 Uiso 1 1 calc R U . . .
H4C H 0.650308 0.278866 0.132189 0.082 Uiso 1 1 calc R U . . .
C5 C 0.6038(17) 0.6097(18) 0.0999(8) 0.046(4) Uani 1 1 d . U . . .
C6 C 0.6111(18) 0.6812(18) 0.0641(8) 0.052(5) Uani 1 1 d . U . . .
H6A H 0.595401 0.738163 0.077450 0.078 Uiso 1 1 calc R U . . .
H6B H 0.570322 0.668024 0.038993 0.078 Uiso 1 1 calc R U . . .
H6C H 0.672378 0.683459 0.052597 0.078 Uiso 1 1 calc R U . . .
C7 C 0.6606(16) 0.6413(16) 0.1403(8) 0.044(4) Uani 1 1 d . U . . .
H7A H 0.722188 0.650478 0.130215 0.066 Uiso 1 1 calc R U . . .
H7B H 0.659456 0.596757 0.164300 0.066 Uiso 1 1 calc R U . . .
H7C H 0.636407 0.696803 0.151918 0.066 Uiso 1 1 calc R U . . .
C8 C 0.4959(17) 0.6056(19) 0.1163(9) 0.054(5) Uani 1 1 d . U . . .
H8A H 0.490822 0.570871 0.144183 0.081 Uiso 1 1 calc R U . . .
H8B H 0.460167 0.578078 0.092314 0.081 Uiso 1 1 calc R U . . .
H8C H 0.474046 0.665463 0.121826 0.081 Uiso 1 1 calc R U . . .
C9 C 0.6002(14) 0.4803(16) 0.0190(7) 0.044(4) Uani 1 1 d . U . . .
C10 C 0.4999(13) 0.499(2) 0.0127(7) 0.054(4) Uani 1 1 d . U . . .
H10A H 0.473580 0.448837 -0.003247 0.081 Uiso 0.5 1 d R U P . .
H10B H 0.489468 0.552999 -0.004833 0.081 Uiso 0.5 1 d R U P . .
H10C H 0.472310 0.504971 0.042698 0.081 Uiso 0.5 1 d R U P . .
C11 C 0.6172(17) 0.3841(16) 0.0056(8) 0.049(4) Uani 1 1 d . U . . .
H11A H 0.583599 0.345152 0.025794 0.073 Uiso 1 1 calc R U . . .
H11B H 0.681003 0.371181 0.008217 0.073 Uiso 1 1 calc R U . . .
H11C H 0.597971 0.374682 -0.025807 0.073 Uiso 1 1 calc R U . . .
C12 C 0.6535(16) 0.5324(16) -0.0171(8) 0.049(5) Uani 1 1 d . U . . .
H12A H 0.638292 0.510456 -0.047412 0.074 Uiso 1 1 calc R U . . .
H12B H 0.717425 0.524574 -0.011748 0.074 Uiso 1 1 calc R U . . .
H12C H 0.638371 0.595022 -0.015015 0.074 Uiso 1 1 calc R U . . .
C13 C 1.1802(17) 0.4018(17) 0.0760(8) 0.047(4) Uani 1 1 d . U . . .
C14 C 1.1168(18) 0.3231(17) 0.0790(9) 0.051(5) Uani 1 1 d . U . . .
H14A H 1.118941 0.289904 0.050466 0.077 Uiso 1 1 calc R U . . .
H14B H 1.055935 0.344176 0.084186 0.077 Uiso 1 1 calc R U . . .
H14C H 1.134923 0.284831 0.104082 0.077 Uiso 1 1 calc R U . . .
C15 C 1.1896(18) 0.4358(16) 0.1253(8) 0.047(4) Uani 1 1 d . U . . .
H15A H 1.209142 0.387459 0.144947 0.071 Uiso 1 1 calc R U . . .
H15B H 1.132002 0.458056 0.135858 0.071 Uiso 1 1 calc R U . . .
H15C H 1.233780 0.483291 0.126165 0.071 Uiso 1 1 calc R U . . .
C16 C 1.2762(17) 0.3662(18) 0.0603(9) 0.049(5) Uani 1 1 d . U . . .
H16A H 1.321444 0.411117 0.066615 0.073 Uiso 1 1 calc R U . . .
H16B H 1.275069 0.353626 0.027717 0.073 Uiso 1 1 calc R U . . .
H16C H 1.290552 0.312301 0.077035 0.073 Uiso 1 1 calc R U . . .
C17 C 1.1919(17) 0.6020(17) 0.0521(8) 0.047(4) Uani 1 1 d . U . . .
C18 C 1.1542(19) 0.6379(18) 0.0952(8) 0.053(5) Uani 1 1 d . U . . .
H18A H 1.162996 0.595035 0.119707 0.080 Uiso 1 1 calc R U . . .
H18B H 1.090387 0.649092 0.091322 0.080 Uiso 1 1 calc R U . . .
H18C H 1.184611 0.692979 0.102962 0.080 Uiso 1 1 calc R U . . .
C19 C 1.1652(18) 0.6673(18) 0.0141(9) 0.053(5) Uani 1 1 d . U . . .
H19A H 1.180606 0.727352 0.023369 0.080 Uiso 1 1 calc R U . . .
H19B H 1.100844 0.663416 0.008746 0.080 Uiso 1 1 calc R U . . .
H19C H 1.197176 0.652382 -0.013843 0.080 Uiso 1 1 calc R U . . .
C20 C 1.2902(16) 0.5966(18) 0.0558(9) 0.051(5) Uani 1 1 d . U . . .
H20A H 1.315612 0.655978 0.054521 0.077 Uiso 1 1 calc R U . . .
H20B H 1.313720 0.561421 0.030571 0.077 Uiso 1 1 calc R U . . .
H20C H 1.306403 0.568725 0.084605 0.077 Uiso 1 1 calc R U . . .
C21 C 1.1471(19) 0.4628(17) -0.0225(9) 0.056(4) Uani 1 1 d . U . . .
C22 C 1.0798(17) 0.5189(18) -0.0517(7) 0.054(5) Uani 1 1 d . U . . .
H22A H 1.102448 0.579164 -0.054834 0.082 Uiso 1 1 calc R U . . .
H22B H 1.021584 0.520135 -0.036721 0.082 Uiso 1 1 calc R U . . .
H22C H 1.073673 0.492323 -0.081879 0.082 Uiso 1 1 calc R U . . .
C23 C 1.120(2) 0.3645(17) -0.0297(9) 0.060(5) Uani 1 1 d . U . . .
H23A H 1.127944 0.348494 -0.061601 0.090 Uiso 1 1 calc R U . . .
H23B H 1.056723 0.356894 -0.021422 0.090 Uiso 1 1 calc R U . . .
H23C H 1.156590 0.326549 -0.010540 0.090 Uiso 1 1 calc R U . . .
C24 C 1.2370(17) 0.4766(19) -0.0420(8) 0.059(5) Uani 1 1 d . U . . .
H24A H 1.238103 0.454988 -0.073324 0.089 Uiso 1 1 calc R U . . .
H24B H 1.281134 0.444471 -0.023944 0.089 Uiso 1 1 calc R U . . .
H24C H 1.251302 0.539614 -0.041674 0.089 Uiso 1 1 calc R U . . .
C25 C -0.092(2) 0.406(2) 0.3325(10) 0.075(5) Uani 1 1 d . U . . .
C26 C -0.049(2) 0.357(2) 0.3765(10) 0.077(6) Uani 1 1 d . U . . .
H26A H -0.014011 0.399640 0.393985 0.115 Uiso 1 1 calc R U . . .
H26B H -0.010969 0.308908 0.366413 0.115 Uiso 1 1 calc R U . . .
H26C H -0.097307 0.333903 0.395566 0.115 Uiso 1 1 calc R U . . .
C27 C -0.122(2) 0.331(2) 0.2986(10) 0.077(6) Uani 1 1 d . U . . .
H27A H -0.185681 0.318508 0.303023 0.115 Uiso 1 1 calc R U . . .
H27B H -0.087402 0.277684 0.304467 0.115 Uiso 1 1 calc R U . . .
H27C H -0.112185 0.350495 0.267300 0.115 Uiso 1 1 calc R U . . .
C28 C -0.168(2) 0.465(2) 0.3453(10) 0.073(6) Uani 1 1 d . U . . .
H28A H -0.192180 0.493480 0.317974 0.110 Uiso 1 1 calc R U . . .
H28B H -0.147331 0.510457 0.366450 0.110 Uiso 1 1 calc R U . . .
H28C H -0.215226 0.430226 0.359784 0.110 Uiso 1 1 calc R U . . .
C29 C 0.027(2) 0.5788(19) 0.3264(9) 0.060(4) Uani 1 1 d . U . . .
C30 C 0.098(2) 0.616(2) 0.3037(10) 0.063(5) Uani 1 1 d . U . . .
H30A H 0.147303 0.637917 0.320139 0.076 Uiso 1 1 calc R U . . .
H30B H 0.097208 0.618740 0.271475 0.076 Uiso 1 1 calc R U . . .
C31 C 0.035(2) 0.5772(19) 0.3789(9) 0.062(5) Uani 1 1 d . U . . .
H31A H 0.085715 0.540269 0.387717 0.093 Uiso 1 1 calc R U . . .
H31B H -0.019778 0.553186 0.392087 0.093 Uiso 1 1 calc R U . . .
H31C H 0.044366 0.637293 0.390155 0.093 Uiso 1 1 calc R U . . .
C32 C -0.053(2) 0.6399(19) 0.3117(9) 0.061(5) Uani 1 1 d . U . . .
H32A H -0.042978 0.699409 0.323541 0.091 Uiso 1 1 calc R U . . .
H32B H -0.108563 0.616311 0.323755 0.091 Uiso 1 1 calc R U . . .
H32C H -0.055804 0.642035 0.278470 0.091 Uiso 1 1 calc R U . . .
C33 C 0.121(2) 0.397(2) 0.2979(10) 0.068(5) Uani 1 1 d . U . . .
C34 C 0.167(2) 0.405(2) 0.3397(10) 0.071(6) Uani 1 1 d . U . . .
H34A H 0.205251 0.352889 0.343956 0.106 Uiso 1 1 calc R U . . .
H34B H 0.124376 0.408621 0.364645 0.106 Uiso 1 1 calc R U . . .
H34C H 0.204421 0.457878 0.339285 0.106 Uiso 1 1 calc R U . . .
C35 C 0.158(2) 0.434(2) 0.2561(9) 0.067(6) Uani 1 1 d . U . . .
H35A H 0.169600 0.496732 0.260146 0.100 Uiso 1 1 calc R U . . .
H35B H 0.115083 0.425549 0.231293 0.100 Uiso 1 1 calc R U . . .
H35C H 0.213582 0.403343 0.248680 0.100 Uiso 1 1 calc R U . . .
C36 C 0.086(2) 0.3009(19) 0.2858(10) 0.067(6) Uani 1 1 d . U . . .
H36A H 0.136702 0.259937 0.285596 0.101 Uiso 1 1 calc R U . . .
H36B H 0.058119 0.301595 0.255820 0.101 Uiso 1 1 calc R U . . .
H36C H 0.042713 0.282027 0.308589 0.101 Uiso 1 1 calc R U . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 P1 2.334(4) . ?
Pt1 Sn2 2.5710(19) . ?
Pt1 Sn1 2.5915(19) . ?
Pt1 Sn3 2.6017(14) . ?
Pt1 Pt2 2.7060(9) . ?
Pt2 P2 2.306(5) . ?
Pt2 Sn2 2.6142(19) . ?
Pt2 Sn1 2.6227(19) . ?
Pt2 Sn3 2.9984(16) . ?
Sn1 Cl5 2.379(7) . ?
Sn1 Cl4 2.387(8) . ?
Sn2 Cl7 2.387(7) . ?
Sn2 Cl6 2.405(8) . ?
Sn3 Cl2 2.405(7) . ?
Sn3 Cl1 2.416(7) . ?
Sn3 Cl3 2.431(7) . ?
P1 C5 1.88(3) . ?
P1 C9 1.91(2) . ?
P1 C1 1.98(3) . ?
P2 C21 1.91(3) . ?
P2 C13 1.92(3) . ?
P2 C17 1.93(3) . ?
P3 C25 1.90(3) . ?
P3 C29 1.90(3) . ?
P3 C33 2.00(3) . ?
P3 H1 1.3051 . ?
C1 C4 1.51(4) . ?
C1 C2 1.52(4) . ?
C1 C3 1.52(4) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.52(4) . ?
C5 C7 1.54(3) . ?
C5 C8 1.69(4) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.54(3) . ?
C9 C11 1.53(3) . ?
C9 C12 1.55(3) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.53(3) . ?
C13 C15 1.55(3) . ?
C13 C16 1.61(3) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.49(3) . ?
C17 C20 1.48(3) . ?
C17 C19 1.55(3) . ?
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 C24 1.48(4) . ?
C21 C23 1.56(4) . ?
C21 C22 1.58(3) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C28 1.50(4) . ?
C25 C27 1.58(4) . ?
C25 C26 1.63(4) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.38(4) . ?
C29 C31 1.55(4) . ?
C29 C32 1.57(4) . ?
C30 H30A 0.9500 . ?
C30 H30B 0.9500 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.42(4) . ?
C33 C35 1.46(4) . ?
C33 C36 1.60(4) . ?
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 . ?

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 Pt1 Sn2 113.23(19) . . ?
P1 Pt1 Sn1 118.74(17) . . ?
Sn2 Pt1 Sn1 91.38(5) . . ?
P1 Pt1 Sn3 119.29(12) . . ?
Sn2 Pt1 Sn3 105.63(6) . . ?
Sn1 Pt1 Sn3 104.48(7) . . ?
P1 Pt1 Pt2 171.24(14) . . ?
Sn2 Pt1 Pt2 59.33(5) . . ?
Sn1 Pt1 Pt2 59.30(5) . . ?
Sn3 Pt1 Pt2 68.76(4) . . ?
P2 Pt2 Sn2 118.13(19) . . ?
P2 Pt2 Sn1 122.28(19) . . ?
Sn2 Pt2 Sn1 89.72(5) . . ?
P2 Pt2 Pt1 175.75(17) . . ?
Sn2 Pt2 Pt1 57.76(5) . . ?
Sn1 Pt2 Pt1 58.17(5) . . ?
P2 Pt2 Sn3 129.22(13) . . ?
Sn2 Pt2 Sn3 94.24(6) . . ?
Sn1 Pt2 Sn3 93.60(6) . . ?
Pt1 Pt2 Sn3 53.98(3) . . ?
Cl5 Sn1 Cl4 95.0(3) . . ?
Cl5 Sn1 Pt1 128.5(2) . . ?
Cl4 Sn1 Pt1 130.8(2) . . ?
Cl5 Sn1 Pt2 119.1(2) . . ?
Cl4 Sn1 Pt2 119.7(2) . . ?
Pt1 Sn1 Pt2 62.52(4) . . ?
Cl7 Sn2 Cl6 95.5(3) . . ?
Cl7 Sn2 Pt1 131.4(3) . . ?
Cl6 Sn2 Pt1 126.7(2) . . ?
Cl7 Sn2 Pt2 120.86(19) . . ?
Cl6 Sn2 Pt2 118.6(2) . . ?
Pt1 Sn2 Pt2 62.91(5) . . ?
Cl2 Sn3 Cl1 95.6(3) . . ?
Cl2 Sn3 Cl3 93.7(3) . . ?
Cl1 Sn3 Cl3 87.4(2) . . ?
Cl2 Sn3 Pt1 117.83(18) . . ?
Cl1 Sn3 Pt1 135.99(19) . . ?
Cl3 Sn3 Pt1 115.85(15) . . ?
Cl2 Sn3 Pt2 98.94(17) . . ?
Cl1 Sn3 Pt2 91.83(17) . . ?
Cl3 Sn3 Pt2 167.3(2) . . ?
Pt1 Sn3 Pt2 57.26(3) . . ?
C5 P1 C9 109.2(11) . . ?
C5 P1 C1 109.6(12) . . ?
C9 P1 C1 108.4(11) . . ?
C5 P1 Pt1 109.3(9) . . ?
C9 P1 Pt1 110.0(7) . . ?
C1 P1 Pt1 110.3(9) . . ?
C21 P2 C13 107.4(12) . . ?
C21 P2 C17 109.0(11) . . ?
C13 P2 C17 108.6(11) . . ?
C21 P2 Pt2 112.3(9) . . ?
C13 P2 Pt2 107.6(8) . . ?
C17 P2 Pt2 111.8(8) . . ?
C25 P3 C29 113.2(14) . . ?
C25 P3 C33 118.6(15) . . ?
C29 P3 C33 110.4(13) . . ?
C25 P3 H1 103.1 . . ?
C29 P3 H1 104.5 . . ?
C33 P3 H1 105.5 . . ?
C4 C1 C2 109(2) . . ?
C4 C1 C3 106(2) . . ?
C2 C1 C3 112(2) . . ?
C4 C1 P1 109.3(18) . . ?
C2 C1 P1 110(2) . . ?
C3 C1 P1 110.4(19) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 C7 106(2) . . ?
C6 C5 C8 107(2) . . ?
C7 C5 C8 108.8(19) . . ?
C6 C5 P1 111.1(17) . . ?
C7 C5 P1 110.0(17) . . ?
C8 C5 P1 113.6(18) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 C11 108(2) . . ?
C10 C9 C12 109.1(19) . . ?
C11 C9 C12 102.9(19) . . ?
C10 C9 P1 116.2(16) . . ?
C11 C9 P1 109.5(15) . . ?
C12 C9 P1 110.4(15) . . ?
C9 C10 H10A 107.8 . . ?
C9 C10 H10B 111.9 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 108.7 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C15 105(2) . . ?
C14 C13 C16 108(2) . . ?
C15 C13 C16 107(2) . . ?
C14 C13 P2 110.7(17) . . ?
C15 C13 P2 108.5(17) . . ?
C16 C13 P2 116.1(18) . . ?
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 . . ?
C18 C17 C20 110(2) . . ?
C18 C17 C19 106(2) . . ?
C20 C17 C19 110(2) . . ?
C18 C17 P2 106.7(18) . . ?
C20 C17 P2 116.9(19) . . ?
C19 C17 P2 106.3(17) . . ?
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 . . ?
C24 C21 C23 109(2) . . ?
C24 C21 C22 107(2) . . ?
C23 C21 C22 106(2) . . ?
C24 C21 P2 117.7(19) . . ?
C23 C21 P2 109.2(17) . . ?
C22 C21 P2 107.5(17) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C28 C25 C27 112(3) . . ?
C28 C25 C26 112(3) . . ?
C27 C25 C26 107(3) . . ?
C28 C25 P3 115(2) . . ?
C27 C25 P3 106(2) . . ?
C26 C25 P3 105(2) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 C31 116(3) . . ?
C30 C29 C32 102(2) . . ?
C31 C29 C32 110(2) . . ?
C30 C29 P3 109(2) . . ?
C31 C29 P3 110.3(19) . . ?
C32 C29 P3 108.8(19) . . ?
C29 C30 H30A 120.0 . . ?
C29 C30 H30B 120.0 . . ?
H30A C30 H30B 120.0 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 C35 121(3) . . ?
C34 C33 C36 115(3) . . ?
C35 C33 C36 106(2) . . ?
C34 C33 P3 108(2) . . ?
C35 C33 P3 102(2) . . ?
C36 C33 P3 101(2) . . ?
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 . . ?

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
C9 P1 C5 C6 -47(2) . . . . ?
C1 P1 C5 C6 -165.3(19) . . . . ?
Pt1 P1 C5 C6 73.7(18) . . . . ?
C9 P1 C5 C7 -163.6(16) . . . . ?
C1 P1 C5 C7 77.8(18) . . . . ?
Pt1 P1 C5 C7 -43.2(18) . . . . ?
C9 P1 C5 C8 74.3(19) . . . . ?
C1 P1 C5 C8 -44(2) . . . . ?
Pt1 P1 C5 C8 -165.4(15) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
P3 H1 Cl3 1.31 2.97 4.019(9) 136.4 1_455 yes
P3 H1 Cl2 1.31 3.06 4.124(9) 137.9 1_455 yes
P3 H1 Cl1 1.31 2.99 4.079(9) 139.7 1_455 yes

_refine_diff_density_max         3.113
_refine_diff_density_min         -3.043
_refine_diff_density_rms         0.239




# start Validation Reply Form ================================================


_vrf_PLAT342_jcm3019a            
;
PROBLEM:
Alert level B
PLAT342_ALERT_3_B Low Bond Precision on  C-C Bonds ............ 0.03778 Ang.
RESPONSE: This alert is a consequence that the diffracted crystal is of 
low quality, however these are the best crystals that we have been able 
to obtain. In addition, the achiral salt complex crystallise in the Sohncke 
space group P212121 and this crystal presents a 2-component invertion 
twin (0.51:0.49).

;

# end Validation Reply Form ==================================================


###END
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_jcm1518a_a
_database_code_depnum_ccdc_archive 'CCDC 1897308'
loop_
_audit_author_name
_audit_author_address
'JESUSCM Campos'
;CSIC University of Sevilla
Spain
;
_audit_update_record             
;
2019-05-21 deposited with the CCDC.	2019-05-23 downloaded from the CCDC.
;




_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H27 Au Cl3 Ge P'
_chemical_formula_weight         722.33

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'
Cl Cl 0.1484 0.1585 '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'
Ge Ge 0.1547 1.8001 '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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   11.9826(10)
_cell_length_b                   12.8906(11)
_cell_length_c                   16.9382(14)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2616.3(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9095
_cell_measurement_theta_min      2.61
_cell_measurement_theta_max      30.49

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    .
_exptl_crystal_density_diffrn    1.834
_exptl_crystal_F_000             1392
_exptl_transmission_factor_min   .
_exptl_transmission_factor_max   .
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.12
_exptl_absorpt_coefficient_mu    7.127
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1858
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   
; 
 SADABS, Bruker (2006). APEX 2. Version 2.1. Bruker Analytical
 X-ray Solutions, Madison, Wisconsin, USA. 
;

_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_reflns_number            146074
_diffrn_reflns_av_unetI/netI     0.0166
_diffrn_reflns_av_R_equivalents  0.0476
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.405
_diffrn_reflns_theta_max         30.579
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             8002
_reflns_number_gt                7823
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.799
_reflns_Friedel_fraction_max     0.998
_reflns_Friedel_fraction_full    1.000

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT A'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Mercury CSD 3.9'
_computing_publication_material  'CIFTAB-2014/2 (Sheldrick, 2014)'
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0232P)²+1.5028P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.433(4)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         8002
_refine_ls_number_parameters     278
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0176
_refine_ls_R_factor_gt           0.0167
_refine_ls_wR_factor_ref         0.0415
_refine_ls_wR_factor_gt          0.0411
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_restrained_S_all      1.004
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.26379(2) 0.57509(2) 0.67102(2) 0.02200(3) Uani 1 1 d . . . . .
Ge1 Ge 0.27605(3) 0.75988(2) 0.67198(2) 0.02579(7) Uani 1 1 d . . . . .
P1 P 0.24831(7) 0.40176(5) 0.70351(4) 0.02035(14) Uani 1 1 d . . . . .
Cl1 Cl 0.30936(16) 0.82516(10) 0.78880(7) 0.0706(4) Uani 1 1 d . . . . .
Cl2 Cl 0.13004(11) 0.84683(11) 0.63587(12) 0.0760(5) Uani 1 1 d . . . . .
Cl3 Cl 0.40478(9) 0.83993(9) 0.60442(6) 0.0424(2) Uani 1 1 d . . . . .
C1 C 0.2528(3) 0.3020(2) 0.62571(17) 0.0202(5) Uani 1 1 d . . . . .
C2 C 0.2734(3) 0.3335(2) 0.54757(17) 0.0217(5) Uani 1 1 d . . . . .
C3 C 0.2839(3) 0.2589(3) 0.4879(2) 0.0314(7) Uani 1 1 d . . . . .
H3 H 0.2972 0.2806 0.4351 0.038 Uiso 1 1 calc R U . . .
C4 C 0.2753(4) 0.1545(3) 0.5046(2) 0.0386(9) Uani 1 1 d . . . . .
H4 H 0.2834 0.1047 0.4636 0.046 Uiso 1 1 calc R U . . .
C5 C 0.2549(4) 0.1227(2) 0.5813(2) 0.0363(8) Uani 1 1 d . . . . .
H5 H 0.2499 0.0507 0.5927 0.044 Uiso 1 1 calc R U . . .
C6 C 0.2415(3) 0.1949(2) 0.64240(19) 0.0252(6) Uani 1 1 d . . . . .
C7 C 0.2808(3) 0.4436(2) 0.52164(17) 0.0251(6) Uani 1 1 d . . . . .
C8 C 0.1828(4) 0.4961(3) 0.4997(2) 0.0373(9) Uani 1 1 d . . . . .
C9 C 0.1916(6) 0.5990(4) 0.4747(3) 0.0545(14) Uani 1 1 d . . . . .
H9 H 0.1259 0.6363 0.4613 0.065 Uiso 1 1 calc R U . . .
C10 C 0.2920(7) 0.6467(4) 0.4692(2) 0.067(2) Uani 1 1 d . . . . .
H10 H 0.2960 0.7166 0.4517 0.080 Uiso 1 1 calc R U . . .
C11 C 0.3878(5) 0.5949(4) 0.4887(3) 0.0575(15) Uani 1 1 d . . . . .
H11 H 0.4577 0.6292 0.4841 0.069 Uiso 1 1 calc R U . . .
C12 C 0.3846(4) 0.4919(3) 0.5154(2) 0.0375(9) Uani 1 1 d . . . . .
C13 C 0.0704(4) 0.4438(4) 0.5037(3) 0.0532(12) Uani 1 1 d . . . . .
H13A H 0.0491 0.4338 0.5590 0.080 Uiso 1 1 calc R U . . .
H13B H 0.0744 0.3763 0.4772 0.080 Uiso 1 1 calc R U . . .
H13C H 0.0146 0.4873 0.4773 0.080 Uiso 1 1 calc R U . . .
C14 C 0.4903(4) 0.4355(5) 0.5380(3) 0.0555(13) Uani 1 1 d . . . . .
H14A H 0.5551 0.4745 0.5189 0.083 Uiso 1 1 calc R U . . .
H14B H 0.4902 0.3662 0.5141 0.083 Uiso 1 1 calc R U . . .
H14C H 0.4942 0.4291 0.5955 0.083 Uiso 1 1 calc R U . . .
C15 C 0.2127(3) 0.1530(2) 0.7230(2) 0.0288(7) Uani 1 1 d . . . . .
C16 C 0.0998(3) 0.1417(3) 0.7433(2) 0.0323(8) Uani 1 1 d . . . . .
C17 C 0.0729(4) 0.1096(3) 0.8199(3) 0.0412(9) Uani 1 1 d . . . . .
H17 H -0.0032 0.1039 0.8350 0.049 Uiso 1 1 calc R U . . .
C18 C 0.1550(4) 0.0862(3) 0.8733(3) 0.0476(11) Uani 1 1 d . . . . .
H18 H 0.1357 0.0666 0.9256 0.057 Uiso 1 1 calc R U . . .
C19 C 0.2660(4) 0.0913(3) 0.8511(3) 0.0441(9) Uani 1 1 d . . . . .
H19 H 0.3221 0.0736 0.8883 0.053 Uiso 1 1 calc R U . . .
C20 C 0.2974(4) 0.1219(3) 0.7746(2) 0.0352(8) Uani 1 1 d . . . . .
C21 C 0.0071(3) 0.1639(4) 0.6858(3) 0.0440(10) Uani 1 1 d . . . . .
H21A H 0.0197 0.2316 0.6610 0.066 Uiso 1 1 calc R U . . .
H21B H -0.0644 0.1647 0.7138 0.066 Uiso 1 1 calc R U . . .
H21C H 0.0056 0.1099 0.6451 0.066 Uiso 1 1 calc R U . . .
C22 C 0.4173(4) 0.1164(4) 0.7499(3) 0.0483(11) Uani 1 1 d . . . . .
H22A H 0.4652 0.1193 0.7967 0.072 Uiso 1 1 calc R U . . .
H22B H 0.4345 0.1751 0.7152 0.072 Uiso 1 1 calc R U . . .
H22C H 0.4306 0.0513 0.7216 0.072 Uiso 1 1 calc R U . . .
C23 C 0.1224(4) 0.3904(3) 0.7624(2) 0.0349(8) Uani 1 1 d . . . . .
H23A H 0.1207 0.3222 0.7880 0.052 Uiso 1 1 calc R U . . .
H23B H 0.0569 0.3979 0.7282 0.052 Uiso 1 1 calc R U . . .
H23C H 0.1216 0.4448 0.8027 0.052 Uiso 1 1 calc R U . . .
C24 C 0.3615(4) 0.3749(3) 0.7709(2) 0.0330(8) Uani 1 1 d . . . . .
H24A H 0.3666 0.4307 0.8100 0.049 Uiso 1 1 calc R U . . .
H24B H 0.4317 0.3705 0.7414 0.049 Uiso 1 1 calc R U . . .
H24C H 0.3476 0.3089 0.7979 0.049 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 P1 2.3086(7) . ?
Au1 Ge1 2.3867(4) . ?
Ge1 Cl2 2.1660(13) . ?
Ge1 Cl3 2.1803(10) . ?
Ge1 Cl1 2.1870(12) . ?
P1 C24 1.806(4) . ?
P1 C23 1.814(4) . ?
P1 C1 1.843(3) . ?
C1 C2 1.406(4) . ?
C1 C6 1.415(4) . ?
C2 C3 1.400(4) . ?
C2 C7 1.489(4) . ?
C3 C4 1.379(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.385(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.401(4) . ?
C5 H5 0.9500 . ?
C6 C15 1.508(5) . ?
C7 C12 1.395(5) . ?
C7 C8 1.405(5) . ?
C8 C9 1.397(6) . ?
C8 C13 1.507(7) . ?
C9 C10 1.354(9) . ?
C9 H9 0.9500 . ?
C10 C11 1.368(9) . ?
C10 H10 0.9500 . ?
C11 C12 1.402(7) . ?
C11 H11 0.9500 . ?
C12 C14 1.510(7) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C20 1.399(5) . ?
C15 C16 1.404(5) . ?
C16 C17 1.399(6) . ?
C16 C21 1.505(6) . ?
C17 C18 1.370(7) . ?
C17 H17 0.9500 . ?
C18 C19 1.384(7) . ?
C18 H18 0.9500 . ?
C19 C20 1.405(6) . ?
C19 H19 0.9500 . ?
C20 C22 1.499(6) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Au1 Ge1 165.77(2) . . ?
Cl2 Ge1 Cl3 100.27(5) . . ?
Cl2 Ge1 Cl1 101.76(8) . . ?
Cl3 Ge1 Cl1 99.42(5) . . ?
Cl2 Ge1 Au1 117.70(4) . . ?
Cl3 Ge1 Au1 120.82(4) . . ?
Cl1 Ge1 Au1 113.67(4) . . ?
C24 P1 C23 105.2(2) . . ?
C24 P1 C1 107.22(16) . . ?
C23 P1 C1 111.16(17) . . ?
C24 P1 Au1 106.02(13) . . ?
C23 P1 Au1 106.03(13) . . ?
C1 P1 Au1 120.19(10) . . ?
C2 C1 C6 119.1(3) . . ?
C2 C1 P1 118.5(2) . . ?
C6 C1 P1 122.3(2) . . ?
C3 C2 C1 119.8(3) . . ?
C3 C2 C7 115.9(3) . . ?
C1 C2 C7 124.3(3) . . ?
C4 C3 C2 121.0(3) . . ?
C4 C3 H3 119.5 . . ?
C2 C3 H3 119.5 . . ?
C5 C4 C3 119.6(3) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
C4 C5 C6 121.1(3) . . ?
C4 C5 H5 119.4 . . ?
C6 C5 H5 119.4 . . ?
C5 C6 C1 119.3(3) . . ?
C5 C6 C15 117.1(3) . . ?
C1 C6 C15 123.5(3) . . ?
C12 C7 C8 120.7(4) . . ?
C12 C7 C2 120.1(3) . . ?
C8 C7 C2 119.1(3) . . ?
C9 C8 C7 118.3(4) . . ?
C9 C8 C13 120.3(4) . . ?
C7 C8 C13 121.4(4) . . ?
C10 C9 C8 121.2(5) . . ?
C10 C9 H9 119.4 . . ?
C8 C9 H9 119.4 . . ?
C9 C10 C11 120.5(4) . . ?
C9 C10 H10 119.7 . . ?
C11 C10 H10 119.7 . . ?
C10 C11 C12 121.1(5) . . ?
C10 C11 H11 119.5 . . ?
C12 C11 H11 119.5 . . ?
C7 C12 C11 118.1(5) . . ?
C7 C12 C14 120.9(4) . . ?
C11 C12 C14 121.0(4) . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C20 C15 C16 121.0(4) . . ?
C20 C15 C6 120.2(3) . . ?
C16 C15 C6 118.7(3) . . ?
C17 C16 C15 118.7(4) . . ?
C17 C16 C21 119.1(4) . . ?
C15 C16 C21 122.2(4) . . ?
C18 C17 C16 120.8(4) . . ?
C18 C17 H17 119.6 . . ?
C16 C17 H17 119.6 . . ?
C17 C18 C19 120.0(4) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
C18 C19 C20 121.4(4) . . ?
C18 C19 H19 119.3 . . ?
C20 C19 H19 119.3 . . ?
C19 C20 C15 117.6(4) . . ?
C19 C20 C22 120.1(4) . . ?
C15 C20 C22 122.3(4) . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
P1 C23 H23A 109.5 . . ?
P1 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
P1 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
P1 C24 H24A 109.5 . . ?
P1 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
P1 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?

_refine_diff_density_max         0.790
_refine_diff_density_min         -1.414
_refine_diff_density_rms         0.113

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_jcm0116a_a_sq
_database_code_depnum_ccdc_archive 'CCDC 1897310'
loop_
_audit_author_name
_audit_author_address
'JESUSCM Campos'
;CSIC University of Sevilla
Spain
;
_audit_update_record             
;
2019-05-21 deposited with the CCDC.	2019-05-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C180 H282 Au3 F12 N2 O8 P8 Pt2 S4'
_chemical_formula_weight         4187.14

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   12.2275(4)
_cell_length_b                   14.0212(4)
_cell_length_c                   32.6312(9)
_cell_angle_alpha                90.7780(10)
_cell_angle_beta                 97.949(2)
_cell_angle_gamma                112.8800(10)
_cell_volume                     5090.8(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9242
_cell_measurement_theta_min      2.38
_cell_measurement_theta_max      26.40

_exptl_crystal_description       needle
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    .
_exptl_crystal_density_diffrn    1.366
_exptl_crystal_F_000             2125
_exptl_transmission_factor_min   .
_exptl_transmission_factor_max   .
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_exptl_absorpt_coefficient_mu    3.686
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6163
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   
; 
 SADABS, Bruker (2006). APEX 2. Version 2.1. Bruker Analytical
 X-ray Solutions, Madison, Wisconsin, USA. 
;
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_reflns_number            86632
_diffrn_reflns_av_unetI/netI     0.0250
_diffrn_reflns_av_R_equivalents  0.0291
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_theta_min         1.658
_diffrn_reflns_theta_max         25.024
_diffrn_reflns_theta_full        25.024
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             17919
_reflns_number_gt                15475
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT A'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Mercury CSD 3.9'
_computing_publication_material  'CIFTAB-2014/2 (Sheldrick, 2014)'
_refine_special_details          .

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.500 1.000 672 235 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          
;
The unit cell contains one molecule of triflimide to compensate
 the positive charge of the P-Au-P+ molecule, 
as well as two molecules of pentane which have been treated
 as a diffuse contribution to the overall scattering
without specific atom positions by SQUEEZE/PLATON.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0756P)²+14.5011P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         17919
_refine_ls_number_parameters     1026
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0452
_refine_ls_R_factor_gt           0.0366
_refine_ls_wR_factor_ref         0.1136
_refine_ls_wR_factor_gt          0.1046
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_restrained_S_all      0.985
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.91819(2) 0.69039(2) 0.81897(2) 0.02500(7) Uani 1 1 d . . . . .
Pt1 Pt 0.76501(2) 0.52947(2) 0.77381(2) 0.02713(7) Uani 1 1 d . . . . .
P1 P 1.09514(11) 0.81224(9) 0.85155(4) 0.0236(3) Uani 1 1 d . . . . .
P2 P 0.73552(16) 0.41303(11) 0.82574(5) 0.0413(4) Uani 1 1 d . . . . .
P3 P 0.78175(12) 0.61311(10) 0.71267(4) 0.0253(3) Uani 1 1 d . . . . .
C1 C 1.1226(4) 0.9141(4) 0.89334(15) 0.0238(10) Uani 1 1 d . . . . .
C2 C 1.2048(4) 0.9299(4) 0.93000(15) 0.0259(10) Uani 1 1 d . . . . .
C3 C 1.2336(5) 1.0176(4) 0.95680(16) 0.0362(13) Uani 1 1 d . . . . .
H3 H 1.2904 1.0285 0.9812 0.043 Uiso 1 1 calc R U . . .
C4 C 1.1830(6) 1.0888(5) 0.94918(17) 0.0400(13) Uani 1 1 d . . . . .
H4 H 1.2045 1.1481 0.9678 0.048 Uiso 1 1 calc R U . . .
C5 C 1.0999(5) 1.0717(4) 0.91374(17) 0.0347(12) Uani 1 1 d . . . . .
H5 H 1.0634 1.1199 0.9083 0.042 Uiso 1 1 calc R U . . .
C6 C 1.0677(4) 0.9861(4) 0.88562(15) 0.0267(10) Uani 1 1 d . . . . .
C7 C 1.2704(5) 0.8624(4) 0.94400(15) 0.0283(11) Uani 1 1 d . . . . .
C8 C 1.2164(5) 0.7774(4) 0.96741(17) 0.0370(13) Uani 1 1 d . . . . .
C9 C 1.2839(6) 0.7192(5) 0.9814(2) 0.0489(16) Uani 1 1 d . . . . .
H9 H 1.2492 0.6610 0.9969 0.059 Uiso 1 1 calc R U . . .
C10 C 1.3961(7) 0.7442(5) 0.9734(2) 0.0532(18) Uani 1 1 d . . . . .
H10 H 1.4393 0.7037 0.9835 0.064 Uiso 1 1 calc R U . . .
C11 C 1.4503(6) 0.8277(5) 0.95069(19) 0.0430(14) Uani 1 1 d . . . . .
H11 H 1.5294 0.8434 0.9451 0.052 Uiso 1 1 calc R U . . .
C12 C 1.3893(5) 0.8885(4) 0.93606(17) 0.0325(12) Uani 1 1 d . . . . .
C13 C 1.0901(6) 0.7489(5) 0.9774(2) 0.0490(16) Uani 1 1 d . . . . .
H13 H 1.0422 0.7669 0.9536 0.059 Uiso 1 1 calc R U . . .
C14 C 1.0259(8) 0.6327(6) 0.9830(2) 0.069(2) Uani 1 1 d . . . . .
H14A H 1.0627 0.6158 1.0090 0.103 Uiso 1 1 calc R U . . .
H14B H 1.0334 0.5920 0.9597 0.103 Uiso 1 1 calc R U . . .
H14C H 0.9407 0.6162 0.9839 0.103 Uiso 1 1 calc R U . . .
C15 C 1.0908(8) 0.8099(7) 1.0162(3) 0.079(3) Uani 1 1 d . . . . .
H15A H 1.1346 0.7914 1.0401 0.119 Uiso 1 1 calc R U . . .
H15B H 1.0080 0.7933 1.0207 0.119 Uiso 1 1 calc R U . . .
H15C H 1.1303 0.8844 1.0129 0.119 Uiso 1 1 calc R U . . .
C16 C 1.4500(5) 0.9817(4) 0.91107(17) 0.0344(12) Uani 1 1 d . . . . .
H16 H 1.3873 1.0061 0.8983 0.041 Uiso 1 1 calc R U . . .
C17 C 1.5053(6) 0.9526(5) 0.8761(2) 0.0491(15) Uani 1 1 d . . . . .
H17A H 1.5725 0.9350 0.8880 0.074 Uiso 1 1 calc R U . . .
H17B H 1.5345 1.0116 0.8590 0.074 Uiso 1 1 calc R U . . .
H17C H 1.4444 0.8928 0.8589 0.074 Uiso 1 1 calc R U . . .
C18 C 1.5448(7) 1.0699(5) 0.9397(2) 0.066(2) Uani 1 1 d . . . . .
H18A H 1.5073 1.0903 0.9610 0.099 Uiso 1 1 calc R U . . .
H18B H 1.5818 1.1294 0.9236 0.099 Uiso 1 1 calc R U . . .
H18C H 1.6065 1.0472 0.9530 0.099 Uiso 1 1 calc R U . . .
C19 C 0.9731(5) 0.9828(4) 0.84975(16) 0.0281(11) Uani 1 1 d . . . . .
C20 C 0.8498(5) 0.9233(4) 0.85257(16) 0.0306(11) Uani 1 1 d . . . . .
C21 C 0.7633(5) 0.9384(4) 0.82396(17) 0.0350(12) Uani 1 1 d . . . . .
H21 H 0.6807 0.8990 0.8250 0.042 Uiso 1 1 calc R U . . .
C22 C 0.7944(5) 1.0090(4) 0.79411(18) 0.0381(13) Uani 1 1 d . . . . .
H22 H 0.7335 1.0186 0.7753 0.046 Uiso 1 1 calc R U . . .
C23 C 0.9134(5) 1.0654(4) 0.79167(17) 0.0365(13) Uani 1 1 d . . . . .
H23 H 0.9338 1.1135 0.7709 0.044 Uiso 1 1 calc R U . . .
C24 C 1.0059(5) 1.0535(4) 0.81931(16) 0.0297(11) Uani 1 1 d . . . . .
C25 C 0.8120(5) 0.8504(5) 0.88692(18) 0.0378(13) Uani 1 1 d . . . . .
H25 H 0.8709 0.8169 0.8922 0.045 Uiso 1 1 calc R U . . .
C26 C 0.6883(6) 0.7641(5) 0.8752(2) 0.0468(15) Uani 1 1 d . . . . .
H26A H 0.6276 0.7939 0.8714 0.070 Uiso 1 1 calc R U . . .
H26B H 0.6722 0.7162 0.8973 0.070 Uiso 1 1 calc R U . . .
H26C H 0.6854 0.7263 0.8493 0.070 Uiso 1 1 calc R U . . .
C27 C 0.8174(6) 0.9088(6) 0.9276(2) 0.0536(17) Uani 1 1 d . . . . .
H27A H 0.7678 0.9494 0.9228 0.080 Uiso 1 1 calc R U . . .
H27B H 0.9008 0.9556 0.9379 0.080 Uiso 1 1 calc R U . . .
H27C H 0.7872 0.8589 0.9483 0.080 Uiso 1 1 calc R U . . .
C28 C 1.1353(5) 1.1215(4) 0.81592(18) 0.0387(13) Uani 1 1 d . . . . .
H28 H 1.1884 1.0946 0.8339 0.046 Uiso 1 1 calc R U . . .
C29 C 1.1620(6) 1.1186(6) 0.7712(2) 0.0523(16) Uani 1 1 d . . . . .
H29A H 1.1290 1.0464 0.7595 0.078 Uiso 1 1 calc R U . . .
H29B H 1.2491 1.1491 0.7715 0.078 Uiso 1 1 calc R U . . .
H29C H 1.1248 1.1583 0.7542 0.078 Uiso 1 1 calc R U . . .
C30 C 1.1682(7) 1.2346(5) 0.8312(2) 0.0561(18) Uani 1 1 d . . . . .
H30A H 1.1203 1.2640 0.8131 0.084 Uiso 1 1 calc R U . . .
H30B H 1.2538 1.2750 0.8307 0.084 Uiso 1 1 calc R U . . .
H30C H 1.1517 1.2372 0.8597 0.084 Uiso 1 1 calc R U . . .
C31 C 1.1788(5) 0.7321(5) 0.86635(19) 0.0423(15) Uani 1 1 d . . . . .
H31A H 1.1716 0.6856 0.8425 0.063 Uiso 1 1 calc R U . . .
H31B H 1.1462 0.6908 0.8891 0.063 Uiso 1 1 calc R U . . .
H31C H 1.2636 0.7767 0.8754 0.063 Uiso 1 1 calc R U . . .
C32 C 1.1780(5) 0.8878(4) 0.81298(17) 0.0388(13) Uani 1 1 d . . . . .
H32A H 1.2564 0.9380 0.8266 0.058 Uiso 1 1 calc R U . . .
H32B H 1.1326 0.9250 0.7985 0.058 Uiso 1 1 calc R U . . .
H32C H 1.1898 0.8414 0.7929 0.058 Uiso 1 1 calc R U . . .
C33 C 0.8713(8) 0.3785(6) 0.8390(2) 0.064(2) Uani 1 1 d . . . . .
C34 C 0.9249(12) 0.3795(9) 0.7985(3) 0.112(4) Uani 1 1 d . . . . .
H34A H 0.9966 0.3637 0.8044 0.168 Uiso 1 1 calc R U . . .
H34B H 0.9469 0.4483 0.7877 0.168 Uiso 1 1 calc R U . . .
H34C H 0.8651 0.3273 0.7779 0.168 Uiso 1 1 calc R U . . .
C35 C 0.8465(12) 0.2716(7) 0.8566(3) 0.100(4) Uani 1 1 d . . . . .
H35A H 0.9212 0.2601 0.8613 0.150 Uiso 1 1 calc R U . . .
H35B H 0.7867 0.2171 0.8367 0.150 Uiso 1 1 calc R U . . .
H35C H 0.8159 0.2699 0.8829 0.150 Uiso 1 1 calc R U . . .
C36 C 0.9667(7) 0.4613(7) 0.8700(3) 0.073(2) Uani 1 1 d . . . . .
H36A H 0.9376 0.4589 0.8967 0.109 Uiso 1 1 calc R U . . .
H36B H 0.9833 0.5299 0.8595 0.109 Uiso 1 1 calc R U . . .
H36C H 1.0405 0.4484 0.8739 0.109 Uiso 1 1 calc R U . . .
C37 C 0.6029(10) 0.2942(6) 0.7999(3) 0.102(4) Uani 1 1 d . . . . .
C38 C 0.6434(15) 0.2436(7) 0.7660(3) 0.153(7) Uani 1 1 d . . . . .
H38A H 0.5727 0.1973 0.7469 0.230 Uiso 1 1 calc R U . . .
H38B H 0.6873 0.2035 0.7789 0.230 Uiso 1 1 calc R U . . .
H38C H 0.6959 0.2977 0.7506 0.230 Uiso 1 1 calc R U . . .
C39 C 0.5037(9) 0.3289(9) 0.7788(3) 0.121(5) Uani 1 1 d . . . . .
H39A H 0.4466 0.2735 0.7587 0.182 Uiso 1 1 calc R U . . .
H39B H 0.5408 0.3918 0.7645 0.182 Uiso 1 1 calc R U . . .
H39C H 0.4613 0.3432 0.7999 0.182 Uiso 1 1 calc R U . . .
C40 C 0.5401(13) 0.2104(8) 0.8299(3) 0.160(7) Uani 1 1 d . . . . .
H40A H 0.5234 0.2442 0.8533 0.240 Uiso 1 1 calc R U . . .
H40B H 0.5932 0.1758 0.8402 0.240 Uiso 1 1 calc R U . . .
H40C H 0.4646 0.1591 0.8148 0.240 Uiso 1 1 calc R U . . .
C41 C 0.6952(6) 0.4514(5) 0.8760(2) 0.0489(16) Uani 1 1 d . . . . .
C42 C 0.5720(8) 0.4589(8) 0.8673(3) 0.086(3) Uani 1 1 d . . . . .
H42A H 0.5563 0.4871 0.8925 0.128 Uiso 1 1 calc R U . . .
H42B H 0.5093 0.3896 0.8591 0.128 Uiso 1 1 calc R U . . .
H42C H 0.5719 0.5046 0.8449 0.128 Uiso 1 1 calc R U . . .
C43 C 0.6946(8) 0.3779(6) 0.9113(2) 0.068(2) Uani 1 1 d . . . . .
H43A H 0.7752 0.3783 0.9188 0.102 Uiso 1 1 calc R U . . .
H43B H 0.6374 0.3072 0.9018 0.102 Uiso 1 1 calc R U . . .
H43C H 0.6708 0.4019 0.9357 0.102 Uiso 1 1 calc R U . . .
C44 C 0.7828(7) 0.5609(5) 0.8926(2) 0.0541(17) Uani 1 1 d . . . . .
H44A H 0.7567 0.5821 0.9170 0.081 Uiso 1 1 calc R U . . .
H44B H 0.7844 0.6093 0.8711 0.081 Uiso 1 1 calc R U . . .
H44C H 0.8635 0.5616 0.9004 0.081 Uiso 1 1 calc R U . . .
C45 C 0.9251(5) 0.6258(4) 0.69245(16) 0.0321(12) Uani 1 1 d . . . . .
C46 C 0.9516(6) 0.6906(5) 0.65457(18) 0.0406(13) Uani 1 1 d . . . . .
H46A H 0.9676 0.7629 0.6625 0.061 Uiso 1 1 calc R U . . .
H46B H 0.8821 0.6629 0.6324 0.061 Uiso 1 1 calc R U . . .
H46C H 1.0221 0.6870 0.6446 0.061 Uiso 1 1 calc R U . . .
C47 C 1.0324(5) 0.6738(5) 0.72764(19) 0.0423(14) Uani 1 1 d . . . . .
H47A H 1.0142 0.6362 0.7526 0.064 Uiso 1 1 calc R U . . .
H47B H 1.0476 0.7469 0.7336 0.064 Uiso 1 1 calc R U . . .
H47C H 1.1039 0.6688 0.7191 0.064 Uiso 1 1 calc R U . . .
C48 C 0.9207(6) 0.5166(5) 0.6810(2) 0.0468(15) Uani 1 1 d . . . . .
H48A H 0.9995 0.5228 0.6752 0.070 Uiso 1 1 calc R U . . .
H48B H 0.8602 0.4849 0.6564 0.070 Uiso 1 1 calc R U . . .
H48C H 0.8995 0.4730 0.7043 0.070 Uiso 1 1 calc R U . . .
C49 C 0.6474(5) 0.5201(4) 0.67472(17) 0.0353(12) Uani 1 1 d . . . . .
C50 C 0.6509(6) 0.5334(5) 0.62841(17) 0.0450(15) Uani 1 1 d . . . . .
H50A H 0.5765 0.4830 0.6123 0.068 Uiso 1 1 calc R U . . .
H50B H 0.7198 0.5219 0.6208 0.068 Uiso 1 1 calc R U . . .
H50C H 0.6587 0.6039 0.6225 0.068 Uiso 1 1 calc R U . . .
C51 C 0.6363(6) 0.4080(5) 0.6826(2) 0.0506(16) Uani 1 1 d . . . . .
H51A H 0.6460 0.4003 0.7125 0.076 Uiso 1 1 calc R U . . .
H51B H 0.6988 0.3946 0.6708 0.076 Uiso 1 1 calc R U . . .
H51C H 0.5570 0.3583 0.6695 0.076 Uiso 1 1 calc R U . . .
C52 C 0.5307(5) 0.5243(5) 0.6847(2) 0.0464(15) Uani 1 1 d . . . . .
H52A H 0.5261 0.5897 0.6763 0.070 Uiso 1 1 calc R U . . .
H52B H 0.5293 0.5201 0.7146 0.070 Uiso 1 1 calc R U . . .
H52C H 0.4620 0.4658 0.6696 0.070 Uiso 1 1 calc R U . . .
C53 C 0.7703(5) 0.7441(4) 0.71403(16) 0.0309(11) Uani 1 1 d . . . . .
C54 C 0.7295(6) 0.7769(5) 0.67127(17) 0.0408(14) Uani 1 1 d . . . . .
H54A H 0.6501 0.7253 0.6592 0.061 Uiso 1 1 calc R U . . .
H54B H 0.7875 0.7815 0.6527 0.061 Uiso 1 1 calc R U . . .
H54C H 0.7251 0.8448 0.6749 0.061 Uiso 1 1 calc R U . . .
C55 C 0.8910(5) 0.8319(4) 0.73260(17) 0.0370(13) Uani 1 1 d . . . . .
H55A H 0.9505 0.8396 0.7143 0.056 Uiso 1 1 calc R U . . .
H55B H 0.9193 0.8148 0.7600 0.056 Uiso 1 1 calc R U . . .
H55C H 0.8799 0.8972 0.7354 0.056 Uiso 1 1 calc R U . . .
C56 C 0.6802(6) 0.7406(5) 0.74311(19) 0.0423(14) Uani 1 1 d . . . . .
H56A H 0.6698 0.8065 0.7433 0.063 Uiso 1 1 calc R U . . .
H56B H 0.7108 0.7297 0.7713 0.063 Uiso 1 1 calc R U . . .
H56C H 0.6027 0.6836 0.7333 0.063 Uiso 1 1 calc R U . . .
Au2 Au 1.0000 1.0000 0.5000 0.03836(9) Uani 1 2 d S . P . .
P10 P 1.05831(14) 0.87618(12) 0.47061(5) 0.0388(3) Uani 1 1 d . . . . .
C100 C 0.9547(5) 0.7625(4) 0.43617(16) 0.0325(12) Uani 1 1 d . . . . .
C101 C 0.9934(5) 0.6927(4) 0.41696(16) 0.0350(12) Uani 1 1 d . . . . .
C102 C 0.9072(5) 0.5990(4) 0.39648(17) 0.0361(12) Uani 1 1 d . . . . .
H102 H 0.9332 0.5521 0.3836 0.043 Uiso 1 1 calc R U . . .
C103 C 0.7853(5) 0.5739(4) 0.39475(18) 0.0411(14) Uani 1 1 d . . . . .
H103 H 0.7285 0.5086 0.3824 0.049 Uiso 1 1 calc R U . . .
C104 C 0.7471(5) 0.6445(4) 0.41111(17) 0.0360(12) Uani 1 1 d . . . . .
H104 H 0.6635 0.6293 0.4085 0.043 Uiso 1 1 calc R U . . .
C105 C 0.8311(5) 0.7394(4) 0.43183(17) 0.0336(12) Uani 1 1 d . . . . .
C106 C 1.1215(5) 0.7120(4) 0.41227(18) 0.0369(13) Uani 1 1 d . . . . .
C107 C 1.1860(5) 0.6648(5) 0.43772(19) 0.0432(14) Uani 1 1 d . . . . .
C108 C 1.3053(6) 0.6856(6) 0.4321(2) 0.0562(18) Uani 1 1 d . . . . .
H108 H 1.3507 0.6552 0.4491 0.067 Uiso 1 1 calc R U . . .
C109 C 1.3565(6) 0.7491(6) 0.4025(2) 0.060(2) Uani 1 1 d . . . . .
H109 H 1.4380 0.7647 0.4000 0.072 Uiso 1 1 calc R U . . .
C110 C 1.2912(6) 0.7905(5) 0.3763(2) 0.0551(18) Uani 1 1 d . . . . .
H110 H 1.3276 0.8327 0.3555 0.066 Uiso 1 1 calc R U . . .
C111 C 1.1714(6) 0.7714(5) 0.37991(19) 0.0447(15) Uani 1 1 d . . . . .
C112 C 1.1290(6) 0.5847(5) 0.46783(19) 0.0451(14) Uani 1 1 d . . . . .
H112 H 1.0551 0.5934 0.4737 0.054 Uiso 1 1 calc R U . . .
C113 C 1.2103(7) 0.5970(7) 0.5094(2) 0.064(2) Uani 1 1 d . . . . .
H11A H 1.2786 0.5800 0.5051 0.096 Uiso 1 1 calc R U . . .
H11B H 1.1645 0.5501 0.5286 0.096 Uiso 1 1 calc R U . . .
H11C H 1.2399 0.6689 0.5212 0.096 Uiso 1 1 calc R U . . .
C114 C 1.0904(7) 0.4732(5) 0.4490(2) 0.0546(17) Uani 1 1 d . . . . .
H11D H 1.1604 0.4637 0.4414 0.082 Uiso 1 1 calc R U . . .
H11E H 1.0299 0.4607 0.4243 0.082 Uiso 1 1 calc R U . . .
H11F H 1.0561 0.4240 0.4695 0.082 Uiso 1 1 calc R U . . .
C115 C 1.0979(7) 0.8113(5) 0.3486(2) 0.0513(16) Uani 1 1 d . . . . .
H115 H 1.0313 0.8167 0.3619 0.062 Uiso 1 1 calc R U . . .
C116 C 1.0425(10) 0.7342(6) 0.3115(2) 0.081(3) Uani 1 1 d . . . . .
H11G H 1.1057 0.7332 0.2962 0.122 Uiso 1 1 calc R U . . .
H11H H 0.9853 0.7541 0.2933 0.122 Uiso 1 1 calc R U . . .
H11I H 1.0004 0.6649 0.3207 0.122 Uiso 1 1 calc R U . . .
C117 C 1.1684(10) 0.9176(6) 0.3332(3) 0.087(3) Uani 1 1 d . . . . .
H11J H 1.2100 0.9680 0.3571 0.130 Uiso 1 1 calc R U . . .
H11K H 1.1127 0.9408 0.3159 0.130 Uiso 1 1 calc R U . . .
H11L H 1.2274 0.9118 0.3169 0.130 Uiso 1 1 calc R U . . .
C118 C 0.7748(5) 0.8098(4) 0.44426(17) 0.0375(13) Uani 1 1 d . . . . .
H118 H 0.8511 0.8604 0.4608 0.045 Uiso 1 1 calc R U . . .
C119 C 0.7119(5) 0.7889(4) 0.47888(17) 0.0367(13) Uani 1 1 d . . . . .
C120 C 0.6367(6) 0.8397(5) 0.4847(2) 0.0458(15) Uani 1 1 d . . . . .
H120 H 0.5942 0.8255 0.5076 0.055 Uiso 1 1 calc R U . . .
C121 C 0.6232(6) 0.9106(5) 0.4574(2) 0.0478(15) Uani 1 1 d . . . . .
H121 H 0.5698 0.9431 0.4612 0.057 Uiso 1 1 calc R U . . .
C122 C 0.6881(5) 0.9338(5) 0.4246(2) 0.0437(14) Uani 1 1 d . . . . .
H122 H 0.6813 0.9850 0.4069 0.052 Uiso 1 1 calc R U . . .
C123 C 0.7615(5) 0.8850(4) 0.41716(18) 0.0407(14) Uani 1 1 d . . . . .
C124 C 0.7305(6) 0.7147(5) 0.50970(18) 0.0424(14) Uani 1 1 d . . . . .
H124 H 0.7901 0.6895 0.5005 0.051 Uiso 1 1 calc R U . . .
C125 C 0.6126(7) 0.6198(5) 0.5103(2) 0.0596(19) Uani 1 1 d . . . . .
H12A H 0.6271 0.5723 0.5301 0.089 Uiso 1 1 calc R U . . .
H12B H 0.5833 0.5840 0.4826 0.089 Uiso 1 1 calc R U . . .
H12C H 0.5524 0.6427 0.5188 0.089 Uiso 1 1 calc R U . . .
C126 C 0.7818(7) 0.7687(6) 0.5532(2) 0.0557(18) Uani 1 1 d . . . . .
H12D H 0.7214 0.7875 0.5641 0.083 Uiso 1 1 calc R U . . .
H12E H 0.8537 0.8316 0.5520 0.083 Uiso 1 1 calc R U . . .
H12F H 0.8030 0.7217 0.5716 0.083 Uiso 1 1 calc R U . . .
C127 C 0.8256(6) 0.9072(5) 0.3797(2) 0.0507(16) Uani 1 1 d . . . . .
H127 H 0.8902 0.8797 0.3842 0.061 Uiso 1 1 calc R U . . .
C128 C 0.7383(9) 0.8486(7) 0.3406(2) 0.073(2) Uani 1 1 d . . . . .
H12G H 0.7084 0.7738 0.3438 0.110 Uiso 1 1 calc R U . . .
H12H H 0.7802 0.8645 0.3165 0.110 Uiso 1 1 calc R U . . .
H12I H 0.6705 0.8702 0.3366 0.110 Uiso 1 1 calc R U . . .
C129 C 0.8858(8) 1.0233(6) 0.3740(3) 0.067(2) Uani 1 1 d . . . . .
H12J H 0.9346 1.0337 0.3517 0.101 Uiso 1 1 calc R U . . .
H12K H 0.9373 1.0596 0.3998 0.101 Uiso 1 1 calc R U . . .
H12L H 0.8240 1.0511 0.3666 0.101 Uiso 1 1 calc R U . . .
C130 C 1.1833(7) 0.9494(6) 0.4450(3) 0.078(3) Uani 1 1 d . . . . .
H13A H 1.2338 1.0140 0.4618 0.118 Uiso 1 1 calc R U . . .
H13B H 1.1532 0.9658 0.4177 0.118 Uiso 1 1 calc R U . . .
H13C H 1.2308 0.9083 0.4415 0.118 Uiso 1 1 calc R U . . .
C131 C 1.1181(8) 0.8194(6) 0.5125(2) 0.070(2) Uani 1 1 d . . . . .
H13D H 1.1540 0.7751 0.5013 0.106 Uiso 1 1 calc R U . . .
H13E H 1.0532 0.7775 0.5274 0.106 Uiso 1 1 calc R U . . .
H13F H 1.1797 0.8746 0.5317 0.106 Uiso 1 1 calc R U . . .
N1 N 0.3712(6) 0.8835(5) 0.65017(19) 0.0604(16) Uani 1 1 d . . . . .
O1 O 0.5649(4) 0.9172(5) 0.70040(17) 0.0687(14) Uani 1 1 d . . . . .
O2 O 0.4922(6) 1.0531(4) 0.68249(19) 0.0804(17) Uani 1 1 d . . . . .
O3 O 0.3982(6) 0.7129(4) 0.66032(19) 0.0794(16) Uani 1 1 d . . . . .
O4 O 0.2363(5) 0.7222(6) 0.6100(2) 0.099(2) Uani 1 1 d . . . . .
S1 S 0.46913(14) 0.94810(13) 0.68807(5) 0.0442(4) Uani 1 1 d . . . . .
S2 S 0.35403(17) 0.77317(16) 0.63249(6) 0.0595(5) Uani 1 1 d . . . . .
C150 C 0.3807(7) 0.9191(6) 0.7305(2) 0.0582(18) Uani 1 1 d . . . . .
C151 C 0.4507(7) 0.8039(8) 0.5934(2) 0.069(2) Uani 1 1 d . . . . .
F1 F 0.3407(5) 0.8218(4) 0.73732(17) 0.0895(16) Uani 1 1 d . . . . .
F2 F 0.4492(6) 0.9698(5) 0.76532(15) 0.105(2) Uani 1 1 d . . . . .
F3 F 0.2900(6) 0.9475(5) 0.72405(19) 0.113(2) Uani 1 1 d . . . . .
F4 F 0.5637(4) 0.8665(4) 0.60828(15) 0.0828(14) Uani 1 1 d . . . . .
F5 F 0.4552(5) 0.7145(5) 0.57819(18) 0.1027(19) Uani 1 1 d . . . . .
F6 F 0.4130(5) 0.8466(5) 0.56188(15) 0.0922(16) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 P1 2.2738(13) . ?
Au1 Pt1 2.5751(3) . ?
Pt1 P3 2.3212(13) . ?
Pt1 P2 2.3352(14) . ?
P1 C32 1.813(6) . ?
P1 C31 1.821(5) . ?
P1 C1 1.860(5) . ?
P2 C37 1.897(8) . ?
P2 C33 1.900(8) . ?
P2 C41 1.904(7) . ?
P3 C53 1.896(5) . ?
P3 C45 1.903(5) . ?
P3 C49 1.913(6) . ?
C1 C2 1.406(7) . ?
C1 C6 1.420(7) . ?
C2 C3 1.396(7) . ?
C2 C7 1.500(7) . ?
C3 C4 1.373(8) . ?
C3 H3 0.9500 . ?
C4 C5 1.380(8) . ?
C4 H4 0.9500 . ?
C5 C6 1.393(7) . ?
C5 H5 0.9500 . ?
C6 C19 1.514(7) . ?
C7 C8 1.411(7) . ?
C7 C12 1.417(8) . ?
C8 C9 1.409(8) . ?
C8 C13 1.520(9) . ?
C9 C10 1.343(10) . ?
C9 H9 0.9500 . ?
C10 C11 1.384(9) . ?
C10 H10 0.9500 . ?
C11 C12 1.384(7) . ?
C11 H11 0.9500 . ?
C12 C16 1.538(8) . ?
C13 C15 1.516(10) . ?
C13 C14 1.536(9) . ?
C13 H13 1.0000 . ?
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 C18 1.517(9) . ?
C16 C17 1.530(8) . ?
C16 H16 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C24 1.399(7) . ?
C19 C20 1.428(8) . ?
C20 C21 1.393(7) . ?
C20 C25 1.524(8) . ?
C21 C22 1.382(8) . ?
C21 H21 0.9500 . ?
C22 C23 1.374(8) . ?
C22 H22 0.9500 . ?
C23 C24 1.411(7) . ?
C23 H23 0.9500 . ?
C24 C28 1.517(8) . ?
C25 C26 1.517(9) . ?
C25 C27 1.531(8) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C30 1.535(9) . ?
C28 C29 1.542(9) . ?
C28 H28 1.0000 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C36 1.523(13) . ?
C33 C35 1.544(10) . ?
C33 C34 1.553(11) . ?
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 . ?
C37 C38 1.542(18) . ?
C37 C39 1.555(17) . ?
C37 C40 1.569(11) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C44 1.528(10) . ?
C41 C42 1.538(11) . ?
C41 C43 1.557(8) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C47 1.539(8) . ?
C45 C46 1.540(8) . ?
C45 C48 1.549(8) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C52 1.529(9) . ?
C49 C50 1.530(8) . ?
C49 C51 1.553(8) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 C56 1.537(8) . ?
C53 C55 1.543(8) . ?
C53 C54 1.553(7) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
Au2 P10 2.3554(15) 2_776 ?
Au2 P10 2.3555(15) . ?
P10 C130 1.802(8) . ?
P10 C131 1.802(7) . ?
P10 C100 1.843(6) . ?
C100 C105 1.403(8) . ?
C100 C101 1.414(8) . ?
C101 C102 1.410(8) . ?
C101 C106 1.512(8) . ?
C102 C103 1.384(8) . ?
C102 H102 0.9500 . ?
C103 C104 1.378(8) . ?
C103 H103 0.9500 . ?
C104 C105 1.415(8) . ?
C104 H104 0.9500 . ?
C105 C118 1.486(8) . ?
C106 C111 1.410(8) . ?
C106 C107 1.411(9) . ?
C107 C108 1.411(9) . ?
C107 C112 1.524(9) . ?
C108 C109 1.370(11) . ?
C108 H108 0.9500 . ?
C109 C110 1.374(11) . ?
C109 H109 0.9500 . ?
C110 C111 1.404(9) . ?
C110 H110 0.9500 . ?
C111 C115 1.523(10) . ?
C112 C113 1.532(9) . ?
C112 C114 1.538(9) . ?
C112 H112 1.0000 . ?
C113 H11A 0.9800 . ?
C113 H11B 0.9800 . ?
C113 H11C 0.9800 . ?
C114 H11D 0.9800 . ?
C114 H11E 0.9800 . ?
C114 H11F 0.9800 . ?
C115 C116 1.505(10) . ?
C115 C117 1.535(9) . ?
C115 H115 1.0000 . ?
C116 H11G 0.9800 . ?
C116 H11H 0.9800 . ?
C116 H11I 0.9800 . ?
C117 H11J 0.9800 . ?
C117 H11K 0.9800 . ?
C117 H11L 0.9800 . ?
C118 C119 1.424(8) . ?
C118 C123 1.427(8) . ?
C118 H118 1.0000 . ?
C119 C120 1.394(9) . ?
C119 C124 1.515(8) . ?
C120 C121 1.384(9) . ?
C120 H120 0.9500 . ?
C121 C122 1.387(9) . ?
C121 H121 0.9500 . ?
C122 C123 1.367(9) . ?
C122 H122 0.9500 . ?
C123 C127 1.512(9) . ?
C124 C126 1.530(9) . ?
C124 C125 1.538(9) . ?
C124 H124 1.0000 . ?
C125 H12A 0.9800 . ?
C125 H12B 0.9800 . ?
C125 H12C 0.9800 . ?
C126 H12D 0.9800 . ?
C126 H12E 0.9800 . ?
C126 H12F 0.9800 . ?
C127 C129 1.531(9) . ?
C127 C128 1.535(11) . ?
C127 H127 1.0000 . ?
C128 H12G 0.9800 . ?
C128 H12H 0.9800 . ?
C128 H12I 0.9800 . ?
C129 H12J 0.9800 . ?
C129 H12K 0.9800 . ?
C129 H12L 0.9800 . ?
C130 H13A 0.9800 . ?
C130 H13B 0.9800 . ?
C130 H13C 0.9800 . ?
C131 H13D 0.9800 . ?
C131 H13E 0.9800 . ?
C131 H13F 0.9800 . ?
N1 S2 1.568(7) . ?
N1 S1 1.581(6) . ?
O1 S1 1.410(5) . ?
O2 S1 1.407(6) . ?
O3 S2 1.438(6) . ?
O4 S2 1.419(6) . ?
S1 C150 1.827(7) . ?
S2 C151 1.802(9) . ?
C150 F1 1.292(8) . ?
C150 F3 1.310(9) . ?
C150 F2 1.323(9) . ?
C151 F6 1.315(9) . ?
C151 F4 1.332(9) . ?
C151 F5 1.365(10) . ?

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 Pt1 161.37(3) . . ?
P3 Pt1 P2 167.59(5) . . ?
P3 Pt1 Au1 94.14(3) . . ?
P2 Pt1 Au1 97.08(4) . . ?
C32 P1 C31 101.5(3) . . ?
C32 P1 C1 101.8(2) . . ?
C31 P1 C1 111.3(2) . . ?
C32 P1 Au1 109.0(2) . . ?
C31 P1 Au1 100.9(2) . . ?
C1 P1 Au1 129.35(16) . . ?
C37 P2 C33 109.2(5) . . ?
C37 P2 C41 107.8(4) . . ?
C33 P2 C41 108.5(3) . . ?
C37 P2 Pt1 102.7(2) . . ?
C33 P2 Pt1 110.7(2) . . ?
C41 P2 Pt1 117.6(2) . . ?
C53 P3 C45 109.4(2) . . ?
C53 P3 C49 107.6(2) . . ?
C45 P3 C49 108.4(2) . . ?
C53 P3 Pt1 116.49(17) . . ?
C45 P3 Pt1 111.07(17) . . ?
C49 P3 Pt1 103.33(18) . . ?
C2 C1 C6 118.7(4) . . ?
C2 C1 P1 123.0(4) . . ?
C6 C1 P1 117.9(4) . . ?
C3 C2 C1 119.2(4) . . ?
C3 C2 C7 114.0(4) . . ?
C1 C2 C7 126.7(4) . . ?
C4 C3 C2 122.5(5) . . ?
C4 C3 H3 118.8 . . ?
C2 C3 H3 118.8 . . ?
C3 C4 C5 118.2(5) . . ?
C3 C4 H4 120.9 . . ?
C5 C4 H4 120.9 . . ?
C4 C5 C6 122.2(5) . . ?
C4 C5 H5 118.9 . . ?
C6 C5 H5 118.9 . . ?
C5 C6 C1 119.2(4) . . ?
C5 C6 C19 112.5(4) . . ?
C1 C6 C19 128.3(4) . . ?
C8 C7 C12 120.4(5) . . ?
C8 C7 C2 119.8(5) . . ?
C12 C7 C2 119.7(4) . . ?
C9 C8 C7 117.6(6) . . ?
C9 C8 C13 120.7(5) . . ?
C7 C8 C13 121.7(5) . . ?
C10 C9 C8 121.5(6) . . ?
C10 C9 H9 119.3 . . ?
C8 C9 H9 119.3 . . ?
C9 C10 C11 121.5(6) . . ?
C9 C10 H10 119.3 . . ?
C11 C10 H10 119.3 . . ?
C10 C11 C12 120.1(6) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
C11 C12 C7 119.0(5) . . ?
C11 C12 C16 120.0(5) . . ?
C7 C12 C16 121.0(4) . . ?
C15 C13 C8 111.5(6) . . ?
C15 C13 C14 108.5(6) . . ?
C8 C13 C14 112.8(6) . . ?
C15 C13 H13 108.0 . . ?
C8 C13 H13 108.0 . . ?
C14 C13 H13 108.0 . . ?
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 . . ?
C18 C16 C17 110.4(6) . . ?
C18 C16 C12 110.1(5) . . ?
C17 C16 C12 112.1(5) . . ?
C18 C16 H16 108.0 . . ?
C17 C16 H16 108.0 . . ?
C12 C16 H16 108.0 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C24 C19 C20 121.3(5) . . ?
C24 C19 C6 119.0(5) . . ?
C20 C19 C6 118.5(5) . . ?
C21 C20 C19 117.6(5) . . ?
C21 C20 C25 120.2(5) . . ?
C19 C20 C25 122.1(5) . . ?
C22 C21 C20 121.8(5) . . ?
C22 C21 H21 119.1 . . ?
C20 C21 H21 119.1 . . ?
C23 C22 C21 120.0(5) . . ?
C23 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
C22 C23 C24 121.4(5) . . ?
C22 C23 H23 119.3 . . ?
C24 C23 H23 119.3 . . ?
C19 C24 C23 118.0(5) . . ?
C19 C24 C28 123.4(5) . . ?
C23 C24 C28 118.5(5) . . ?
C26 C25 C20 113.2(5) . . ?
C26 C25 C27 109.6(5) . . ?
C20 C25 C27 112.0(5) . . ?
C26 C25 H25 107.2 . . ?
C20 C25 H25 107.2 . . ?
C27 C25 H25 107.2 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C24 C28 C30 111.8(5) . . ?
C24 C28 C29 112.3(5) . . ?
C30 C28 C29 108.9(5) . . ?
C24 C28 H28 107.9 . . ?
C30 C28 H28 107.9 . . ?
C29 C28 H28 107.9 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
P1 C31 H31A 109.5 . . ?
P1 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
P1 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
P1 C32 H32A 109.5 . . ?
P1 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
P1 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C36 C33 C35 108.2(7) . . ?
C36 C33 C34 107.6(9) . . ?
C35 C33 C34 107.7(7) . . ?
C36 C33 P2 109.8(5) . . ?
C35 C33 P2 115.9(7) . . ?
C34 C33 P2 107.3(5) . . ?
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 . . ?
C38 C37 C39 108.2(8) . . ?
C38 C37 C40 109.5(9) . . ?
C39 C37 C40 105.4(10) . . ?
C38 C37 P2 109.2(9) . . ?
C39 C37 P2 108.8(6) . . ?
C40 C37 P2 115.4(6) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C44 C41 C42 104.6(7) . . ?
C44 C41 C43 107.6(6) . . ?
C42 C41 C43 109.3(6) . . ?
C44 C41 P2 110.4(4) . . ?
C42 C41 P2 109.9(5) . . ?
C43 C41 P2 114.7(5) . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C41 C44 H44A 109.5 . . ?
C41 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C41 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C47 C45 C46 108.7(5) . . ?
C47 C45 C48 105.3(5) . . ?
C46 C45 C48 108.3(5) . . ?
C47 C45 P3 109.1(4) . . ?
C46 C45 P3 115.1(4) . . ?
C48 C45 P3 109.8(4) . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C52 C49 C50 108.4(5) . . ?
C52 C49 C51 105.1(5) . . ?
C50 C49 C51 107.5(5) . . ?
C52 C49 P3 110.3(4) . . ?
C50 C49 P3 117.2(4) . . ?
C51 C49 P3 107.5(4) . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C49 C52 H52A 109.5 . . ?
C49 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C49 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C56 C53 C55 106.4(5) . . ?
C56 C53 C54 108.6(5) . . ?
C55 C53 C54 106.8(4) . . ?
C56 C53 P3 107.8(4) . . ?
C55 C53 P3 111.7(4) . . ?
C54 C53 P3 115.0(4) . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C53 C56 H56A 109.5 . . ?
C53 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C53 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
P10 Au2 P10 180.0 2_776 . ?
C130 P10 C131 106.0(5) . . ?
C130 P10 C100 109.2(3) . . ?
C131 P10 C100 103.3(3) . . ?
C130 P10 Au2 105.5(3) . . ?
C131 P10 Au2 107.7(3) . . ?
C100 P10 Au2 123.95(19) . . ?
C105 C100 C101 118.7(5) . . ?
C105 C100 P10 118.3(4) . . ?
C101 C100 P10 122.8(4) . . ?
C102 C101 C100 119.3(5) . . ?
C102 C101 C106 114.2(5) . . ?
C100 C101 C106 126.2(5) . . ?
C103 C102 C101 121.4(5) . . ?
C103 C102 H102 119.3 . . ?
C101 C102 H102 119.3 . . ?
C104 C103 C102 119.5(5) . . ?
C104 C103 H103 120.3 . . ?
C102 C103 H103 120.3 . . ?
C103 C104 C105 120.6(5) . . ?
C103 C104 H104 119.7 . . ?
C105 C104 H104 119.7 . . ?
C100 C105 C104 120.2(5) . . ?
C100 C105 C118 126.2(5) . . ?
C104 C105 C118 113.4(5) . . ?
C111 C106 C107 120.8(5) . . ?
C111 C106 C101 118.6(5) . . ?
C107 C106 C101 120.5(5) . . ?
C108 C107 C106 118.2(6) . . ?
C108 C107 C112 118.6(6) . . ?
C106 C107 C112 122.9(5) . . ?
C109 C108 C107 120.8(7) . . ?
C109 C108 H108 119.6 . . ?
C107 C108 H108 119.6 . . ?
C108 C109 C110 120.8(6) . . ?
C108 C109 H109 119.6 . . ?
C110 C109 H109 119.6 . . ?
C109 C110 C111 121.1(6) . . ?
C109 C110 H110 119.4 . . ?
C111 C110 H110 119.4 . . ?
C110 C111 C106 118.1(6) . . ?
C110 C111 C115 120.2(6) . . ?
C106 C111 C115 121.7(6) . . ?
C107 C112 C113 113.8(6) . . ?
C107 C112 C114 111.8(5) . . ?
C113 C112 C114 108.2(6) . . ?
C107 C112 H112 107.6 . . ?
C113 C112 H112 107.6 . . ?
C114 C112 H112 107.6 . . ?
C112 C113 H11A 109.5 . . ?
C112 C113 H11B 109.5 . . ?
H11A C113 H11B 109.5 . . ?
C112 C113 H11C 109.5 . . ?
H11A C113 H11C 109.5 . . ?
H11B C113 H11C 109.5 . . ?
C112 C114 H11D 109.5 . . ?
C112 C114 H11E 109.5 . . ?
H11D C114 H11E 109.5 . . ?
C112 C114 H11F 109.5 . . ?
H11D C114 H11F 109.5 . . ?
H11E C114 H11F 109.5 . . ?
C116 C115 C111 109.3(6) . . ?
C116 C115 C117 108.1(6) . . ?
C111 C115 C117 115.0(7) . . ?
C116 C115 H115 108.1 . . ?
C111 C115 H115 108.1 . . ?
C117 C115 H115 108.1 . . ?
C115 C116 H11G 109.5 . . ?
C115 C116 H11H 109.5 . . ?
H11G C116 H11H 109.5 . . ?
C115 C116 H11I 109.5 . . ?
H11G C116 H11I 109.5 . . ?
H11H C116 H11I 109.5 . . ?
C115 C117 H11J 109.5 . . ?
C115 C117 H11K 109.5 . . ?
H11J C117 H11K 109.5 . . ?
C115 C117 H11L 109.5 . . ?
H11J C117 H11L 109.5 . . ?
H11K C117 H11L 109.5 . . ?
C119 C118 C123 118.7(5) . . ?
C119 C118 C105 119.8(5) . . ?
C123 C118 C105 120.3(5) . . ?
C119 C118 H118 93.8 . . ?
C123 C118 H118 93.8 . . ?
C105 C118 H118 93.8 . . ?
C120 C119 C118 119.3(5) . . ?
C120 C119 C124 120.8(5) . . ?
C118 C119 C124 119.8(5) . . ?
C121 C120 C119 120.9(6) . . ?
C121 C120 H120 119.6 . . ?
C119 C120 H120 119.6 . . ?
C120 C121 C122 119.7(6) . . ?
C120 C121 H121 120.2 . . ?
C122 C121 H121 120.2 . . ?
C123 C122 C121 121.7(6) . . ?
C123 C122 H122 119.1 . . ?
C121 C122 H122 119.1 . . ?
C122 C123 C118 119.6(6) . . ?
C122 C123 C127 120.6(5) . . ?
C118 C123 C127 119.7(6) . . ?
C119 C124 C126 111.4(5) . . ?
C119 C124 C125 110.8(5) . . ?
C126 C124 C125 110.5(5) . . ?
C119 C124 H124 108.0 . . ?
C126 C124 H124 108.0 . . ?
C125 C124 H124 108.0 . . ?
C124 C125 H12A 109.5 . . ?
C124 C125 H12B 109.5 . . ?
H12A C125 H12B 109.5 . . ?
C124 C125 H12C 109.5 . . ?
H12A C125 H12C 109.5 . . ?
H12B C125 H12C 109.5 . . ?
C124 C126 H12D 109.5 . . ?
C124 C126 H12E 109.5 . . ?
H12D C126 H12E 109.5 . . ?
C124 C126 H12F 109.5 . . ?
H12D C126 H12F 109.5 . . ?
H12E C126 H12F 109.5 . . ?
C123 C127 C129 113.0(6) . . ?
C123 C127 C128 110.0(6) . . ?
C129 C127 C128 111.0(6) . . ?
C123 C127 H127 107.5 . . ?
C129 C127 H127 107.5 . . ?
C128 C127 H127 107.5 . . ?
C127 C128 H12G 109.5 . . ?
C127 C128 H12H 109.5 . . ?
H12G C128 H12H 109.5 . . ?
C127 C128 H12I 109.5 . . ?
H12G C128 H12I 109.5 . . ?
H12H C128 H12I 109.5 . . ?
C127 C129 H12J 109.5 . . ?
C127 C129 H12K 109.5 . . ?
H12J C129 H12K 109.5 . . ?
C127 C129 H12L 109.5 . . ?
H12J C129 H12L 109.5 . . ?
H12K C129 H12L 109.5 . . ?
P10 C130 H13A 109.5 . . ?
P10 C130 H13B 109.5 . . ?
H13A C130 H13B 109.5 . . ?
P10 C130 H13C 109.5 . . ?
H13A C130 H13C 109.5 . . ?
H13B C130 H13C 109.5 . . ?
P10 C131 H13D 109.5 . . ?
P10 C131 H13E 109.5 . . ?
H13D C131 H13E 109.5 . . ?
P10 C131 H13F 109.5 . . ?
H13D C131 H13F 109.5 . . ?
H13E C131 H13F 109.5 . . ?
S2 N1 S1 124.6(4) . . ?
O2 S1 O1 120.3(4) . . ?
O2 S1 N1 106.2(4) . . ?
O1 S1 N1 117.6(3) . . ?
O2 S1 C150 103.5(3) . . ?
O1 S1 C150 105.4(4) . . ?
N1 S1 C150 101.3(4) . . ?
O4 S2 O3 117.0(5) . . ?
O4 S2 N1 109.7(4) . . ?
O3 S2 N1 116.5(3) . . ?
O4 S2 C151 104.7(4) . . ?
O3 S2 C151 104.7(4) . . ?
N1 S2 C151 102.3(4) . . ?
F1 C150 F3 108.8(7) . . ?
F1 C150 F2 106.2(7) . . ?
F3 C150 F2 107.3(7) . . ?
F1 C150 S1 112.3(5) . . ?
F3 C150 S1 112.4(5) . . ?
F2 C150 S1 109.6(5) . . ?
F6 C151 F4 107.9(8) . . ?
F6 C151 F5 107.5(7) . . ?
F4 C151 F5 106.2(6) . . ?
F6 C151 S2 113.1(5) . . ?
F4 C151 S2 112.9(5) . . ?
F5 C151 S2 108.9(7) . . ?

_refine_diff_density_max         5.865
_refine_diff_density_min         -3.037
_refine_diff_density_rms         0.124



