# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_m21352
_database_code_depnum_ccdc_archive 'CCDC 2173747'
loop_
_audit_author_name
_audit_author_address
'Sean Parkin'
;UKy
United States of America
;
# CIF edited on-the-fly by script CIFFIX (S. Parkin, 2000-2017). 
# CIFFIX: https://xray.uky.edu/Resources/scripts/ciffix 
_audit_update_record             
;
2022-05-19 deposited with the CCDC.	2022-08-12 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         'C30 H36 Au Cl N O P2, Cl'
_chemical_formula_sum            'C30 H36 Au Cl2 N O P2'
_chemical_formula_weight         756.40

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'
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'

_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                   11.4288(3)
_cell_length_b                   15.0311(4)
_cell_length_c                   16.9907(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2918.79(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    90.0(2)
_cell_measurement_reflns_used    9760
_cell_measurement_theta_min      2.54
_cell_measurement_theta_max      27.50

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.721
_exptl_crystal_F_000             1496
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.110
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    5.358
_shelx_estimated_absorpt_T_min   0.590
_shelx_estimated_absorpt_T_max   0.739
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.675
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_process_details   'SADABS (Krause et al., 2015)'
_exptl_absorpt_special_details   
; 
In addition to absorption, multi-scan techniques also correct other slowly 
varying changes in scale factor over reciprocal space, such as those caused 
by X-ray beam inhomogeneity, goniometer imperfection, crystal decomposition, 
crystal longer than the X-ray beam cross section, absorption by the crystal 
mount etc.  These account, by and large, for much of the difference between 
estimated values of Tmin and Tmax and the _exptl_absorpt_correction_ values. 
;

_exptl_special_details           
; 
The crystal was mounted using polyisobutene oil on the tip of a fine glass 
fibre, which was fastened in a copper mounting pin with electrical solder. 
It was placed directly into the cold gas stream of a liquid-nitrogen based 
cryostat (Hope, 1994; Parkin & Hope, 1998). 
 
Diffraction data were collected with the crystal at 90K, which is standard 
practice in this laboratory for the majority of flash-cooled crystals. 
;

_diffrn_ambient_temperature      90.0(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  'Bruker D8 Venture dual source'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 7.41
_diffrn_reflns_number            44240
_diffrn_reflns_av_unetI/netI     0.0314
_diffrn_reflns_av_R_equivalents  0.0329
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.148
_diffrn_reflns_theta_max         27.508
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.992

_reflns_number_total             6664
_reflns_number_gt                6350
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.778
_reflns_Friedel_fraction_max     0.984
_reflns_Friedel_fraction_full    0.984
_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.  Completness statistics refer to single and 
 composite reflections containing twin component 1 only. 
;

_computing_data_collection       'APEX3 (Bruker-AXS, 2016)'
_computing_cell_refinement       'APEX3 (Bruker-AXS, 2016)'
_computing_data_reduction        'APEX3 (Bruker-AXS, 2016)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015a)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015b)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  
'SHELX (Sheldrick, 2008) and CIFFIX (Parkin, 2013)'

_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)] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.00051(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 
; 
Flack parameter determined via full-matrix least-squares. 
;
_refine_ls_abs_structure_Flack   0.006(4)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         6664
_refine_ls_number_parameters     340
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0167
_refine_ls_R_factor_gt           0.0151
_refine_ls_wR_factor_ref         0.0337
_refine_ls_wR_factor_gt          0.0333
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_restrained_S_all      1.001
_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 0.21063(2) 0.49904(2) 0.61919(2) 0.01080(4) Uani 1 1 d . . . . .
Cl1 Cl 0.08217(7) 0.51354(6) 0.51133(4) 0.01874(19) Uani 1 1 d . . . . .
Cl2 Cl 0.03726(8) 0.58505(6) 0.72441(5) 0.0254(2) Uani 1 1 d . . . . .
P1 P 0.34057(8) 0.47499(5) 0.71877(5) 0.01312(18) Uani 1 1 d . . . . .
P2 P 0.11577(8) 0.36864(5) 0.65959(5) 0.01171(17) Uani 1 1 d . . . . .
O1 O 0.3751(2) 0.45323(16) 0.49071(14) 0.0246(6) Uani 1 1 d . . . . .
N1 N 0.6462(3) 0.53400(18) 0.52972(15) 0.0184(6) Uani 1 1 d . . . . .
C1 C 0.7584(3) 0.5155(2) 0.51356(18) 0.0181(8) Uani 1 1 d . . . . .
H1 H 0.816299 0.532642 0.550707 0.022 Uiso 1 1 calc R U . . .
C2 C 0.7943(3) 0.4728(2) 0.44566(19) 0.0180(7) Uani 1 1 d . . . . .
H2 H 0.874898 0.461439 0.436499 0.022 Uiso 1 1 calc R U . . .
C3 C 0.7114(3) 0.4469(2) 0.39154(19) 0.0193(7) Uani 1 1 d . . . . .
H3 H 0.734017 0.419784 0.343368 0.023 Uiso 1 1 calc R U . . .
C4 C 0.5943(3) 0.4610(2) 0.40864(18) 0.0163(7) Uani 1 1 d . . . . .
H4 H 0.534781 0.440922 0.373933 0.020 Uiso 1 1 calc R U . . .
C5 C 0.5665(3) 0.5051(3) 0.47748(16) 0.0151(6) Uani 1 1 d . . . . .
C6 C 0.4392(3) 0.5167(2) 0.49880(17) 0.0166(8) Uani 1 1 d . . . . .
C7 C 0.3972(3) 0.6049(2) 0.52941(19) 0.0157(7) Uani 1 1 d . . . . .
C8 C 0.4505(3) 0.6825(2) 0.5014(2) 0.0212(8) Uani 1 1 d . . . . .
H8 H 0.516037 0.678389 0.467248 0.025 Uiso 1 1 calc R U . . .
C9 C 0.4082(3) 0.7653(2) 0.5233(2) 0.0236(8) Uani 1 1 d . . . . .
H9 H 0.444149 0.817903 0.504016 0.028 Uiso 1 1 calc R U . . .
C10 C 0.3127(3) 0.7707(2) 0.5737(2) 0.0226(8) Uani 1 1 d . . . . .
H10 H 0.283546 0.827287 0.588913 0.027 Uiso 1 1 calc R U . . .
C11 C 0.2591(3) 0.6937(2) 0.6020(2) 0.0198(8) Uani 1 1 d . . . . .
H11 H 0.193729 0.698120 0.636330 0.024 Uiso 1 1 calc R U . . .
C12 C 0.3011(3) 0.6103(2) 0.58023(18) 0.0133(7) Uani 1 1 d . . . . .
C13 C 0.2907(3) 0.3773(2) 0.77228(19) 0.0178(7) Uani 1 1 d . . . . .
C14 C 0.1957(3) 0.3288(2) 0.74417(18) 0.0171(7) Uani 1 1 d . . . . .
C15 C 0.1646(3) 0.2486(2) 0.7799(2) 0.0213(8) Uani 1 1 d . . . . .
H15 H 0.100553 0.214996 0.760322 0.026 Uiso 1 1 calc R U . . .
C16 C 0.2276(4) 0.2183(3) 0.8440(2) 0.0288(9) Uani 1 1 d . . . . .
H16 H 0.207198 0.163255 0.867862 0.035 Uiso 1 1 calc R U . . .
C17 C 0.3203(4) 0.2674(3) 0.8738(2) 0.0352(10) Uani 1 1 d . . . . .
H17 H 0.361663 0.246768 0.918705 0.042 Uiso 1 1 calc R U . . .
C18 C 0.3528(4) 0.3465(2) 0.8381(2) 0.0253(9) Uani 1 1 d . . . . .
H18 H 0.416908 0.379795 0.858087 0.030 Uiso 1 1 calc R U . . .
C19 C 0.5190(3) 0.3565(2) 0.6633(2) 0.0286(9) Uani 1 1 d . . . . .
H19A H 0.465953 0.335055 0.622127 0.043 Uiso 1 1 calc R U . . .
H19B H 0.509415 0.319908 0.710656 0.043 Uiso 1 1 calc R U . . .
H19C H 0.599964 0.352306 0.644775 0.043 Uiso 1 1 calc R U . . .
C20 C 0.4901(3) 0.4535(2) 0.68272(19) 0.0180(7) Uani 1 1 d . . . . .
H20 H 0.498309 0.487386 0.632394 0.022 Uiso 1 1 calc R U . . .
C21 C 0.5711(3) 0.4985(3) 0.74203(18) 0.0267(7) Uani 1 1 d . . . . .
H21A H 0.584089 0.459402 0.788072 0.032 Uiso 1 1 calc R U . . .
H21B H 0.647670 0.511935 0.717566 0.032 Uiso 1 1 calc R U . . .
C22 C 0.5106(3) 0.5836(2) 0.7670(2) 0.0254(9) Uani 1 1 d . . . . .
H22A H 0.509903 0.626626 0.722857 0.030 Uiso 1 1 calc R U . . .
H22B H 0.552812 0.610916 0.811784 0.030 Uiso 1 1 calc R U . . .
C23 C 0.3848(3) 0.5606(2) 0.79127(19) 0.0199(8) Uani 1 1 d . . . . .
H23 H 0.390990 0.529234 0.843010 0.024 Uiso 1 1 calc R U . . .
C24 C 0.3056(4) 0.6400(2) 0.8051(2) 0.029(1) Uani 1 1 d . . . . .
H24A H 0.302362 0.676361 0.757306 0.043 Uiso 1 1 calc R U . . .
H24B H 0.336549 0.675718 0.848643 0.043 Uiso 1 1 calc R U . . .
H24C H 0.226785 0.619166 0.818354 0.043 Uiso 1 1 calc R U . . .
C25 C -0.0818(3) 0.3718(3) 0.7632(2) 0.0275(9) Uani 1 1 d . . . . .
H25A H -0.166406 0.381878 0.766425 0.041 Uiso 1 1 calc R U . . .
H25B H -0.040708 0.418630 0.792222 0.041 Uiso 1 1 calc R U . . .
H25C H -0.062913 0.313730 0.786191 0.041 Uiso 1 1 calc R U . . .
C26 C -0.0435(3) 0.3734(2) 0.67690(19) 0.0173(7) Uani 1 1 d . . . . .
H26 H -0.073293 0.429891 0.653092 0.021 Uiso 1 1 calc R U . . .
C27 C -0.0925(3) 0.2961(2) 0.6287(2) 0.0237(8) Uani 1 1 d . . . . .
H27A H -0.095467 0.241751 0.661506 0.028 Uiso 1 1 calc R U . . .
H27B H -0.172991 0.310203 0.611221 0.028 Uiso 1 1 calc R U . . .
C28 C -0.0145(3) 0.2801(2) 0.5572(2) 0.0233(8) Uani 1 1 d . . . . .
H28A H -0.035422 0.223434 0.531082 0.028 Uiso 1 1 calc R U . . .
H28B H -0.022879 0.329144 0.518732 0.028 Uiso 1 1 calc R U . . .
C29 C 0.1101(3) 0.2763(2) 0.58871(18) 0.0155(7) Uani 1 1 d . . . . .
H29 H 0.117506 0.219836 0.619498 0.019 Uiso 1 1 calc R U . . .
C30 C 0.2059(3) 0.2756(2) 0.5271(2) 0.0251(8) Uani 1 1 d . . . . .
H30A H 0.195758 0.223894 0.492597 0.038 Uiso 1 1 calc R U . . .
H30B H 0.282347 0.272128 0.553081 0.038 Uiso 1 1 calc R U . . .
H30C H 0.201625 0.330208 0.495782 0.038 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 C12 2.075(3) . ?
Au1 P1 2.2801(8) . ?
Au1 P2 2.3428(8) . ?
Au1 Cl1 2.3583(7) . ?
P1 C13 1.819(3) . ?
P1 C20 1.844(3) . ?
P1 C23 1.852(3) . ?
P2 C14 1.805(3) . ?
P2 C29 1.839(3) . ?
P2 C26 1.846(3) . ?
O1 C6 1.211(4) . ?
N1 C1 1.341(4) . ?
N1 C5 1.344(4) . ?
C1 C2 1.383(5) . ?
C1 H1 0.9500 . ?
C2 C3 1.376(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.385(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.382(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.509(4) . ?
C6 C7 1.502(4) . ?
C7 C12 1.399(5) . ?
C7 C8 1.399(5) . ?
C8 C9 1.386(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.389(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.395(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.392(5) . ?
C11 H11 0.9500 . ?
C13 C14 1.392(5) . ?
C13 C18 1.402(5) . ?
C14 C15 1.396(5) . ?
C15 C16 1.382(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.387(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.385(5) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.531(5) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C21 1.526(4) . ?
C20 H20 1.0000 . ?
C21 C22 1.514(5) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.535(5) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.516(5) . ?
C23 H23 1.0000 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.530(4) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C27 1.528(5) . ?
C26 H26 1.0000 . ?
C27 C28 1.526(5) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.522(5) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.515(5) . ?
C29 H29 1.0000 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 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
C12 Au1 P1 92.29(9) . . ?
C12 Au1 P2 176.92(9) . . ?
P1 Au1 P2 87.21(3) . . ?
C12 Au1 Cl1 89.31(9) . . ?
P1 Au1 Cl1 175.40(3) . . ?
P2 Au1 Cl1 90.97(3) . . ?
C13 P1 C20 108.34(17) . . ?
C13 P1 C23 108.32(15) . . ?
C20 P1 C23 95.15(16) . . ?
C13 P1 Au1 107.16(12) . . ?
C20 P1 Au1 112.64(11) . . ?
C23 P1 Au1 124.15(11) . . ?
C14 P2 C29 106.78(15) . . ?
C14 P2 C26 112.64(16) . . ?
C29 P2 C26 95.69(16) . . ?
C14 P2 Au1 106.06(12) . . ?
C29 P2 Au1 117.13(11) . . ?
C26 P2 Au1 118.08(12) . . ?
C1 N1 C5 116.5(3) . . ?
N1 C1 C2 123.4(3) . . ?
N1 C1 H1 118.3 . . ?
C2 C1 H1 118.3 . . ?
C3 C2 C1 119.0(3) . . ?
C3 C2 H2 120.5 . . ?
C1 C2 H2 120.5 . . ?
C2 C3 C4 118.7(3) . . ?
C2 C3 H3 120.6 . . ?
C4 C3 H3 120.6 . . ?
C5 C4 C3 118.3(3) . . ?
C5 C4 H4 120.9 . . ?
C3 C4 H4 120.9 . . ?
N1 C5 C4 123.9(3) . . ?
N1 C5 C6 117.2(3) . . ?
C4 C5 C6 118.7(3) . . ?
O1 C6 C7 122.7(3) . . ?
O1 C6 C5 117.7(3) . . ?
C7 C6 C5 119.5(3) . . ?
C12 C7 C8 120.1(3) . . ?
C12 C7 C6 121.1(3) . . ?
C8 C7 C6 118.6(3) . . ?
C9 C8 C7 120.4(3) . . ?
C9 C8 H8 119.8 . . ?
C7 C8 H8 119.8 . . ?
C8 C9 C10 119.4(3) . . ?
C8 C9 H9 120.3 . . ?
C10 C9 H9 120.3 . . ?
C9 C10 C11 120.6(3) . . ?
C9 C10 H10 119.7 . . ?
C11 C10 H10 119.7 . . ?
C12 C11 C10 120.2(3) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C11 C12 C7 119.2(3) . . ?
C11 C12 Au1 117.9(2) . . ?
C7 C12 Au1 122.7(2) . . ?
C14 C13 C18 119.7(3) . . ?
C14 C13 P1 119.7(3) . . ?
C18 C13 P1 120.4(3) . . ?
C13 C14 C15 120.0(3) . . ?
C13 C14 P2 119.6(3) . . ?
C15 C14 P2 120.3(3) . . ?
C16 C15 C14 119.7(3) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
C15 C16 C17 120.6(3) . . ?
C15 C16 H16 119.7 . . ?
C17 C16 H16 119.7 . . ?
C18 C17 C16 120.1(3) . . ?
C18 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?
C17 C18 C13 119.7(4) . . ?
C17 C18 H18 120.1 . . ?
C13 C18 H18 120.1 . . ?
C20 C19 H19A 109.5 . . ?
C20 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C20 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 C19 115.7(3) . . ?
C21 C20 P1 105.3(2) . . ?
C19 C20 P1 116.0(3) . . ?
C21 C20 H20 106.3 . . ?
C19 C20 H20 106.3 . . ?
P1 C20 H20 106.3 . . ?
C22 C21 C20 106.5(3) . . ?
C22 C21 H21A 110.4 . . ?
C20 C21 H21A 110.4 . . ?
C22 C21 H21B 110.4 . . ?
C20 C21 H21B 110.4 . . ?
H21A C21 H21B 108.6 . . ?
C21 C22 C23 108.2(3) . . ?
C21 C22 H22A 110.1 . . ?
C23 C22 H22A 110.1 . . ?
C21 C22 H22B 110.1 . . ?
C23 C22 H22B 110.1 . . ?
H22A C22 H22B 108.4 . . ?
C24 C23 C22 115.0(3) . . ?
C24 C23 P1 119.2(3) . . ?
C22 C23 P1 103.5(2) . . ?
C24 C23 H23 106.1 . . ?
C22 C23 H23 106.1 . . ?
P1 C23 H23 106.1 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C26 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C27 C26 C25 113.4(3) . . ?
C27 C26 P2 104.2(2) . . ?
C25 C26 P2 115.7(3) . . ?
C27 C26 H26 107.7 . . ?
C25 C26 H26 107.7 . . ?
P2 C26 H26 107.7 . . ?
C28 C27 C26 109.5(3) . . ?
C28 C27 H27A 109.8 . . ?
C26 C27 H27A 109.8 . . ?
C28 C27 H27B 109.8 . . ?
C26 C27 H27B 109.8 . . ?
H27A C27 H27B 108.2 . . ?
C29 C28 C27 105.8(3) . . ?
C29 C28 H28A 110.6 . . ?
C27 C28 H28A 110.6 . . ?
C29 C28 H28B 110.6 . . ?
C27 C28 H28B 110.6 . . ?
H28A C28 H28B 108.7 . . ?
C30 C29 C28 115.7(3) . . ?
C30 C29 P2 115.6(2) . . ?
C28 C29 P2 103.5(2) . . ?
C30 C29 H29 107.1 . . ?
C28 C29 H29 107.1 . . ?
P2 C29 H29 107.1 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 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
C5 N1 C1 C2 2.9(5) . . . . ?
N1 C1 C2 C3 -0.5(5) . . . . ?
C1 C2 C3 C4 -2.8(5) . . . . ?
C2 C3 C4 C5 3.6(5) . . . . ?
C1 N1 C5 C4 -2.1(5) . . . . ?
C1 N1 C5 C6 173.7(3) . . . . ?
C3 C4 C5 N1 -1.1(6) . . . . ?
C3 C4 C5 C6 -176.9(3) . . . . ?
N1 C5 C6 O1 -132.0(3) . . . . ?
C4 C5 C6 O1 44.0(5) . . . . ?
N1 C5 C6 C7 47.5(5) . . . . ?
C4 C5 C6 C7 -136.5(3) . . . . ?
O1 C6 C7 C12 27.7(5) . . . . ?
C5 C6 C7 C12 -151.8(3) . . . . ?
O1 C6 C7 C8 -147.5(3) . . . . ?
C5 C6 C7 C8 33.0(4) . . . . ?
C12 C7 C8 C9 -0.5(5) . . . . ?
C6 C7 C8 C9 174.8(3) . . . . ?
C7 C8 C9 C10 0.4(5) . . . . ?
C8 C9 C10 C11 -0.2(5) . . . . ?
C9 C10 C11 C12 0.2(5) . . . . ?
C10 C11 C12 C7 -0.3(5) . . . . ?
C10 C11 C12 Au1 -176.3(3) . . . . ?
C8 C7 C12 C11 0.4(5) . . . . ?
C6 C7 C12 C11 -174.7(3) . . . . ?
C8 C7 C12 Au1 176.2(2) . . . . ?
C6 C7 C12 Au1 1.1(4) . . . . ?
C20 P1 C13 C14 -116.0(3) . . . . ?
C23 P1 C13 C14 141.9(3) . . . . ?
Au1 P1 C13 C14 5.8(3) . . . . ?
C20 P1 C13 C18 59.0(3) . . . . ?
C23 P1 C13 C18 -43.0(3) . . . . ?
Au1 P1 C13 C18 -179.2(3) . . . . ?
C18 C13 C14 C15 -1.9(5) . . . . ?
P1 C13 C14 C15 173.1(3) . . . . ?
C18 C13 C14 P2 179.9(3) . . . . ?
P1 C13 C14 P2 -5.0(4) . . . . ?
C29 P2 C14 C13 127.3(3) . . . . ?
C26 P2 C14 C13 -128.9(3) . . . . ?
Au1 P2 C14 C13 1.7(3) . . . . ?
C29 P2 C14 C15 -50.9(3) . . . . ?
C26 P2 C14 C15 52.9(3) . . . . ?
Au1 P2 C14 C15 -176.5(3) . . . . ?
C13 C14 C15 C16 1.0(5) . . . . ?
P2 C14 C15 C16 179.1(3) . . . . ?
C14 C15 C16 C17 0.9(6) . . . . ?
C15 C16 C17 C18 -1.7(7) . . . . ?
C16 C17 C18 C13 0.7(6) . . . . ?
C14 C13 C18 C17 1.1(6) . . . . ?
P1 C13 C18 C17 -173.9(3) . . . . ?
C13 P1 C20 C21 -98.5(3) . . . . ?
C23 P1 C20 C21 12.8(3) . . . . ?
Au1 P1 C20 C21 143.2(2) . . . . ?
C13 P1 C20 C19 30.9(3) . . . . ?
C23 P1 C20 C19 142.2(3) . . . . ?
Au1 P1 C20 C19 -87.4(3) . . . . ?
C19 C20 C21 C22 -166.5(3) . . . . ?
P1 C20 C21 C22 -37.0(3) . . . . ?
C20 C21 C22 C23 50.6(4) . . . . ?
C21 C22 C23 C24 -170.3(3) . . . . ?
C21 C22 C23 P1 -38.6(3) . . . . ?
C13 P1 C23 C24 -105.2(3) . . . . ?
C20 P1 C23 C24 143.5(3) . . . . ?
Au1 P1 C23 C24 21.6(3) . . . . ?
C13 P1 C23 C22 125.5(2) . . . . ?
C20 P1 C23 C22 14.3(2) . . . . ?
Au1 P1 C23 C22 -107.6(2) . . . . ?
C14 P2 C26 C27 -107.3(2) . . . . ?
C29 P2 C26 C27 3.6(2) . . . . ?
Au1 P2 C26 C27 128.5(2) . . . . ?
C14 P2 C26 C25 18.0(3) . . . . ?
C29 P2 C26 C25 128.8(3) . . . . ?
Au1 P2 C26 C25 -106.2(3) . . . . ?
C25 C26 C27 C28 -156.7(3) . . . . ?
P2 C26 C27 C28 -30.0(3) . . . . ?
C26 C27 C28 C29 49.2(4) . . . . ?
C27 C28 C29 C30 -170.6(3) . . . . ?
C27 C28 C29 P2 -43.0(3) . . . . ?
C14 P2 C29 C30 -93.8(3) . . . . ?
C26 P2 C29 C30 150.4(3) . . . . ?
Au1 P2 C29 C30 24.8(3) . . . . ?
C14 P2 C29 C28 138.6(2) . . . . ?
C26 P2 C29 C28 22.9(2) . . . . ?
Au1 P2 C29 C28 -102.8(2) . . . . ?

_refine_diff_density_max         0.826
_refine_diff_density_min         -0.555
_refine_diff_density_rms         0.065



####################################################################### 
# 
# 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_m21273s
_database_code_depnum_ccdc_archive 'CCDC 2173749'
loop_
_audit_author_name
_audit_author_address
'Sean Parkin'
;UKy
United States of America
;
# CIF edited on-the-fly by script CIFFIX (S. Parkin, 2000-2017). 
# CIFFIX: https://xray.uky.edu/Resources/scripts/ciffix 
_audit_update_record             
;
2022-05-19 deposited with the CCDC.	2022-08-12 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         
'2(C38 H54 Au Cl N P2), 0.91(C4 H10 O), C2 H3 N, 2(Cl) [+ solvent]'
_chemical_formula_sum            
'C81.64 H120.10 Au2 Cl4 N3 O0.91 P4 [+ solvent] '
_chemical_formula_weight         1817.75

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_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'

_cell_length_a                   13.6785(4)
_cell_length_b                   14.3981(4)
_cell_length_c                   24.5362(8)
_cell_angle_alpha                90
_cell_angle_beta                 103.178(1)
_cell_angle_gamma                90
_cell_volume                     4705.0(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    90.0(2)
_cell_measurement_reflns_used    9485
_cell_measurement_theta_min      2.38
_cell_measurement_theta_max      27.48

_exptl_crystal_description       'semi-regular block'
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.283
_exptl_crystal_F_000             1848
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    3.335
_shelx_estimated_absorpt_T_min   0.671
_shelx_estimated_absorpt_T_max   0.776
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.647
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_process_details   'SADABS (Krause et al., 2015)'
_exptl_absorpt_special_details   
; 
In addition to absorption, multi-scan techniques also correct other slowly 
varying changes in scale factor over reciprocal space, such as those caused 
by X-ray beam inhomogeneity, goniometer imperfection, crystal decomposition, 
crystal longer than the X-ray beam cross section, absorption by the crystal 
mount etc.  These account, by and large, for much of the difference between 
estimated values of Tmin and Tmax and the _exptl_absorpt_correction_ values. 
;

_exptl_special_details           
; 
The crystal was mounted using polyisobutene oil on the tip of a fine glass 
fibre, which was fastened in a copper mounting pin with electrical solder. 
It was placed directly into the cold gas stream of a liquid-nitrogen based 
cryostat (Hope, 1994; Parkin & Hope, 1998). 
 
Diffraction data were collected with the crystal at 90K, which is standard 
practice in this laboratory for the majority of flash-cooled crystals. 
;

_diffrn_ambient_temperature      90.0(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  'Bruker D8 Venture dual source'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 7.41
_diffrn_reflns_number            101661
_diffrn_reflns_av_unetI/netI     0.0446
_diffrn_reflns_av_R_equivalents  0.0402
_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       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         2.014
_diffrn_reflns_theta_max         27.502
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.991

_reflns_number_total             21390
_reflns_number_gt                20091
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.907
_reflns_Friedel_fraction_max     0.981
_reflns_Friedel_fraction_full    0.982
_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. 
;

_computing_data_collection       'APEX3 (Bruker-AXS, 2016)'
_computing_cell_refinement       'APEX3 (Bruker-AXS, 2016)'
_computing_data_reduction        'APEX3 (Bruker-AXS, 2016)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015a)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015b)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  
'SHELX (Sheldrick, 2008) and CIFFIX (Parkin, 2013)'

_refine_special_details          
'Refined as a 2-component inversion twin.,SQUEEZE'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0105P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_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   0.021(3)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         21390
_refine_ls_number_parameters     948
_refine_ls_number_restraints     392
_refine_ls_R_factor_all          0.0256
_refine_ls_R_factor_gt           0.0223
_refine_ls_wR_factor_ref         0.0469
_refine_ls_wR_factor_gt          0.0459
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_restrained_S_all      1.025
_refine_ls_shift/su_max          0.021
_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
Au1A Au 0.55713(8) 0.33054(3) 0.40246(3) 0.01715(12) Uani 0.954(5) 1 d . . P A
1
Au1C Au 0.5833(12) 0.3177(7) 0.4109(5) 0.01715(12) Uani 0.046(5) 1 d . . P A 2
Cl1A Cl 0.44256(8) 0.41014(7) 0.44371(5) 0.0301(2) Uani 1 1 d . . . . .
P1A P 0.65396(8) 0.24340(7) 0.35595(5) 0.0205(2) Uani 1 1 d . . . . .
P2A P 0.52485(8) 0.19058(7) 0.44578(5) 0.0215(2) Uani 1 1 d . . . . .
N1A N 0.7228(3) 0.4394(2) 0.45616(16) 0.0271(8) Uani 1 1 d D . . . .
C1A C 0.5627(3) 0.4514(3) 0.35717(19) 0.0257(10) Uani 1 1 d D . . . .
C2A C 0.4783(3) 0.4737(3) 0.3169(2) 0.0295(10) Uani 1 1 d D . . . .
H2A H 0.423042 0.431955 0.309479 0.035 Uiso 1 1 calc R U . . .
C3A C 0.4723(3) 0.5583(4) 0.2859(2) 0.0349(11) Uani 1 1 d D . . . .
C4A C 0.5538(4) 0.6164(3) 0.2973(2) 0.0343(11) Uani 1 1 d D . . . .
H4A H 0.552302 0.672426 0.276644 0.041 Uiso 1 1 calc R U . . .
C5A C 0.6385(4) 0.5950(3) 0.3384(2) 0.0296(11) Uani 1 1 d D . . . .
H5A H 0.693484 0.636946 0.345940 0.035 Uiso 1 1 calc R U . . .
C6A C 0.6441(3) 0.5123(3) 0.36908(18) 0.0207(9) Uani 1 1 d D . . . .
C7A C 0.7341(3) 0.4935(3) 0.41395(18) 0.0235(9) Uani 1 1 d D . . . .
C8A C 0.8282(3) 0.5294(3) 0.4121(2) 0.0338(11) Uani 1 1 d D . . . .
H8A H 0.835390 0.567635 0.381691 0.041 Uiso 1 1 calc R U . . .
C9A C 0.9106(4) 0.5092(4) 0.4544(2) 0.0460(14) Uani 1 1 d D . . . .
H9A H 0.975119 0.532097 0.453070 0.055 Uiso 1 1 calc R U . . .
C10A C 0.8980(4) 0.4558(4) 0.4983(2) 0.0413(12) Uani 1 1 d D . . . .
H10A H 0.952914 0.442124 0.528640 0.050 Uiso 1 1 calc R U . . .
C11A C 0.8030(3) 0.4223(3) 0.4972(2) 0.0324(11) Uani 1 1 d D . . . .
H11A H 0.794230 0.384767 0.527625 0.039 Uiso 1 1 calc R U . . .
C12A C 0.3800(4) 0.5808(4) 0.2423(2) 0.0474(14) Uani 1 1 d D . . . .
H12A H 0.380907 0.646563 0.232178 0.071 Uiso 1 1 calc R U . . .
H12B H 0.320477 0.568041 0.256979 0.071 Uiso 1 1 calc R U . . .
H12C H 0.378020 0.542442 0.209039 0.071 Uiso 1 1 calc R U . . .
C13A C 0.6290(3) 0.1231(3) 0.36927(19) 0.0232(9) Uani 1 1 d D . . . .
C14A C 0.6666(3) 0.0529(3) 0.34012(19) 0.031(1) Uani 1 1 d D . . . .
H14A H 0.701065 0.068917 0.311922 0.037 Uiso 1 1 calc R U . . .
C15A C 0.6541(4) -0.0391(3) 0.3521(2) 0.0395(13) Uani 1 1 d D . . . .
H15A H 0.679480 -0.086450 0.332180 0.047 Uiso 1 1 calc R U . . .
C16A C 0.6039(4) -0.0625(3) 0.3936(3) 0.0447(14) Uani 1 1 d D . . . .
H16A H 0.596326 -0.125965 0.402436 0.054 Uiso 1 1 calc R U . . .
C17A C 0.5651(4) 0.0063(3) 0.4221(2) 0.0328(11) Uani 1 1 d D . . . .
H17A H 0.530313 -0.010391 0.449977 0.039 Uiso 1 1 calc R U . . .
C18A C 0.5766(4) 0.0989(3) 0.4102(2) 0.0252(10) Uani 1 1 d D . . . .
C19A C 0.7898(3) 0.2703(3) 0.37428(19) 0.0259(10) Uani 1 1 d D . . . .
H19A H 0.800166 0.322311 0.402019 0.031 Uiso 1 1 calc R U . . .
C20A C 0.8105(3) 0.3086(3) 0.3195(2) 0.0311(11) Uani 1 1 d D . . . .
H20A H 0.857231 0.361926 0.328004 0.037 Uiso 1 1 calc R U . . .
H20B H 0.842889 0.259949 0.301209 0.037 Uiso 1 1 calc R U . . .
C21A C 0.7130(3) 0.3398(3) 0.27973(19) 0.0303(11) Uani 1 1 d D . . . .
H21A H 0.723172 0.347967 0.241349 0.036 Uiso 1 1 calc R U . . .
H21B H 0.689758 0.399516 0.292373 0.036 Uiso 1 1 calc R U . . .
C22A C 0.6358(3) 0.2627(3) 0.28097(17) 0.0255(9) Uani 1 1 d D . . . .
H22A H 0.662111 0.205886 0.265689 0.031 Uiso 1 1 calc R U . . .
C23A C 0.5263(4) 0.2741(3) 0.24752(19) 0.0320(11) Uani 1 1 d D . . . .
H23A H 0.485409 0.297583 0.273588 0.038 Uiso 1 1 calc R U . . .
C24A C 0.4849(5) 0.1787(4) 0.2254(2) 0.0496(15) Uani 1 1 d D . . . .
H24A H 0.413660 0.184610 0.206997 0.074 Uiso 1 1 calc R U . . .
H24B H 0.492473 0.134986 0.256712 0.074 Uiso 1 1 calc R U . . .
H24C H 0.522163 0.155728 0.198468 0.074 Uiso 1 1 calc R U . . .
C25A C 0.5179(4) 0.3442(4) 0.1996(2) 0.0480(14) Uani 1 1 d D . . . .
H25A H 0.447193 0.351757 0.180465 0.072 Uiso 1 1 calc R U . . .
H25B H 0.555937 0.321539 0.172943 0.072 Uiso 1 1 calc R U . . .
H25C H 0.545176 0.404226 0.214768 0.072 Uiso 1 1 calc R U . . .
C26A C 0.8603(3) 0.1912(3) 0.3998(2) 0.0356(11) Uani 1 1 d D . . . .
H26A H 0.844074 0.135387 0.375157 0.043 Uiso 1 1 calc R U . . .
C27A C 0.8454(4) 0.1660(4) 0.4585(2) 0.0488(15) Uani 1 1 d D . . . .
H27A H 0.887836 0.112702 0.473147 0.073 Uiso 1 1 calc R U . . .
H27B H 0.774841 0.150210 0.455990 0.073 Uiso 1 1 calc R U . . .
H27C H 0.864125 0.219201 0.483657 0.073 Uiso 1 1 calc R U . . .
C28A C 0.9694(4) 0.2180(4) 0.4036(2) 0.0478(14) Uani 1 1 d D . . . .
H28A H 1.013523 0.168402 0.422421 0.072 Uiso 1 1 calc R U . . .
H28B H 0.984662 0.275792 0.424877 0.072 Uiso 1 1 calc R U . . .
H28C H 0.980209 0.226941 0.365774 0.072 Uiso 1 1 calc R U . . .
C29A C 0.5602(3) 0.1666(3) 0.52143(19) 0.0277(10) Uani 1 1 d D . . . .
H29A H 0.582032 0.100121 0.524712 0.033 Uiso 1 1 calc R U . . .
C30A C 0.4602(4) 0.1686(3) 0.5393(2) 0.0346(11) Uani 1 1 d D . . . .
H30A H 0.465776 0.133750 0.574672 0.041 Uiso 1 1 calc R U . . .
H30B H 0.440943 0.233442 0.545310 0.041 Uiso 1 1 calc R U . . .
C31A C 0.3822(4) 0.1240(3) 0.4927(2) 0.0341(11) Uani 1 1 d D . . . .
H31A H 0.314250 0.132294 0.499719 0.041 Uiso 1 1 calc R U . . .
H31B H 0.395481 0.056572 0.490887 0.041 Uiso 1 1 calc R U . . .
C32A C 0.3884(3) 0.1706(3) 0.4377(2) 0.028(1) Uani 1 1 d D . . . .
H32A H 0.356929 0.233330 0.437817 0.034 Uiso 1 1 calc R U . . .
C33A C 0.3335(4) 0.1229(3) 0.3837(2) 0.0367(11) Uani 1 1 d D . . . .
H33A H 0.366158 0.061310 0.381389 0.044 Uiso 1 1 calc R U . . .
C34A C 0.2239(4) 0.1058(4) 0.3842(3) 0.0548(16) Uani 1 1 d D . . . .
H34A H 0.187947 0.083326 0.347387 0.082 Uiso 1 1 calc R U . . .
H34B H 0.193360 0.163851 0.392937 0.082 Uiso 1 1 calc R U . . .
H34C H 0.219833 0.059095 0.412696 0.082 Uiso 1 1 calc R U . . .
C35A C 0.3407(4) 0.1790(4) 0.3323(2) 0.0509(15) Uani 1 1 d D . . . .
H35A H 0.305423 0.146184 0.298477 0.076 Uiso 1 1 calc R U . . .
H35B H 0.411442 0.186856 0.331258 0.076 Uiso 1 1 calc R U . . .
H35C H 0.309895 0.240065 0.333876 0.076 Uiso 1 1 calc R U . . .
C36A C 0.6481(4) 0.2219(3) 0.55857(19) 0.030(1) Uani 1 1 d D . . . .
H36A H 0.706293 0.219303 0.540255 0.036 Uiso 1 1 calc R U . . .
C37A C 0.6801(5) 0.1752(4) 0.6159(2) 0.0500(14) Uani 1 1 d D . . . .
H37A H 0.741153 0.205038 0.637404 0.075 Uiso 1 1 calc R U . . .
H37B H 0.693336 0.109225 0.610851 0.075 Uiso 1 1 calc R U . . .
H37C H 0.626286 0.181421 0.636014 0.075 Uiso 1 1 calc R U . . .
C38A C 0.6257(4) 0.3229(4) 0.5672(2) 0.0415(11) Uani 1 1 d D . . . .
H38A H 0.686215 0.353393 0.588824 0.062 Uiso 1 1 calc R U . . .
H38B H 0.571990 0.327310 0.587558 0.062 Uiso 1 1 calc R U . . .
H38C H 0.604212 0.353504 0.530728 0.062 Uiso 1 1 calc R U . . .
Au1B Au 0.88788(2) 0.54887(2) 0.07804(2) 0.02041(5) Uani 0.9690(5) 1 d . . P B
1
Au1D Au 0.9489(5) 0.5595(4) 0.0976(2) 0.02041(5) Uani 0.0310(5) 1 d . . P B 2
Cl1B Cl 0.90526(10) 0.47096(8) -0.00332(5) 0.0365(3) Uani 1 1 d . . . . .
P1B P 0.85487(9) 0.63448(7) 0.15082(5) 0.0214(2) Uani 1 1 d . . . . .
P2B P 0.94518(9) 0.68721(8) 0.04439(5) 0.0256(2) Uani 1 1 d . . . . .
N1B N 1.0275(3) 0.4305(3) 0.15021(18) 0.0359(10) Uani 1 1 d D . . . .
C1B C 0.8153(4) 0.4312(3) 0.09740(19) 0.0284(10) Uani 1 1 d D . . . .
C2B C 0.7179(4) 0.4185(3) 0.0665(2) 0.0367(12) Uani 1 1 d D . . . .
H2B H 0.687675 0.464506 0.040300 0.044 Uiso 1 1 calc R U . . .
C3B C 0.6636(4) 0.3385(4) 0.0734(2) 0.0494(14) Uani 1 1 d D . . . .
C4B C 0.7085(5) 0.2740(4) 0.1120(2) 0.0525(16) Uani 1 1 d D . . . .
H4B H 0.671453 0.220536 0.117937 0.063 Uiso 1 1 calc R U . . .
C5B C 0.8061(5) 0.2842(3) 0.1427(2) 0.0427(14) Uani 1 1 d D . . . .
H5B H 0.835791 0.237119 0.168278 0.051 Uiso 1 1 calc R U . . .
C6B C 0.8617(4) 0.3641(3) 0.13612(19) 0.0291(11) Uani 1 1 d D . . . .
C7B C 0.9669(4) 0.3713(3) 0.1688(2) 0.0361(12) Uani 1 1 d D . . . .
C8B C 1.0032(5) 0.3173(4) 0.2168(2) 0.0556(16) Uani 1 1 d D . . . .
H8B H 0.960097 0.274860 0.229551 0.067 Uiso 1 1 calc R U . . .
C9B C 1.1006(5) 0.3263(6) 0.2449(3) 0.079(2) Uani 1 1 d D . . . .
H9B H 1.125461 0.291032 0.277835 0.094 Uiso 1 1 calc R U . . .
C10B C 1.1628(5) 0.3860(6) 0.2257(3) 0.081(2) Uani 1 1 d D . . . .
H10B H 1.231365 0.392312 0.244355 0.097 Uiso 1 1 calc R U . . .
C11B C 1.1224(5) 0.4368(4) 0.1783(3) 0.0529(15) Uani 1 1 d D . . . .
H11B H 1.165047 0.478781 0.164885 0.064 Uiso 1 1 calc R U . . .
C12B C 0.5581(5) 0.3289(6) 0.0398(3) 0.075(2) Uani 1 1 d D . . . .
H12D H 0.541964 0.263001 0.033070 0.112 Uiso 1 1 calc R U . . .
H12E H 0.551251 0.361031 0.003927 0.112 Uiso 1 1 calc R U . . .
H12F H 0.511829 0.356512 0.060473 0.112 Uiso 1 1 calc R U . . .
C13B C 0.8823(3) 0.7547(3) 0.13707(19) 0.0254(10) Uani 1 1 d D . . . .
C14B C 0.8614(3) 0.8249(3) 0.17231(19) 0.0329(10) Uani 1 1 d D . . . .
H14B H 0.835246 0.809105 0.203799 0.039 Uiso 1 1 calc R U . . .
C15B C 0.8785(5) 0.9169(3) 0.1617(3) 0.0489(16) Uani 1 1 d D . . . .
H15B H 0.863115 0.964304 0.185321 0.059 Uiso 1 1 calc R U . . .
C16B C 0.9181(5) 0.9397(4) 0.1162(3) 0.0617(19) Uani 1 1 d D . . . .
H16B H 0.930286 1.002975 0.108847 0.074 Uiso 1 1 calc R U . . .
C17B C 0.9402(5) 0.8707(4) 0.0813(3) 0.0494(16) Uani 1 1 d D . . . .
H17B H 0.967841 0.887127 0.050444 0.059 Uiso 1 1 calc R U . . .
C18B C 0.9224(4) 0.7776(3) 0.0911(2) 0.0304(11) Uani 1 1 d D . . . .
C19B C 0.9218(3) 0.5911(3) 0.22048(18) 0.0252(10) Uani 1 1 d D . . . .
H19B H 0.961628 0.535573 0.214138 0.030 Uiso 1 1 calc R U . . .
C20B C 0.8351(3) 0.5560(3) 0.24657(17) 0.0255(9) Uani 1 1 d D . . . .
H20C H 0.854294 0.495734 0.265382 0.031 Uiso 1 1 calc R U . . .
H20D H 0.824315 0.600903 0.275207 0.031 Uiso 1 1 calc R U . . .
C21B C 0.7371(3) 0.5441(4) 0.20218(17) 0.0275(9) Uani 1 1 d D . . . .
H21C H 0.738885 0.486239 0.180666 0.033 Uiso 1 1 calc R U . . .
H21D H 0.679142 0.541188 0.220028 0.033 Uiso 1 1 calc R U . . .
C22B C 0.7283(3) 0.6280(3) 0.16395(19) 0.0267(10) Uani 1 1 d D . . . .
H22B H 0.722043 0.683000 0.187841 0.032 Uiso 1 1 calc R U . . .
C23B C 0.6393(4) 0.6344(4) 0.1129(2) 0.0400(12) Uani 1 1 d D . . . .
H23B H 0.657618 0.600023 0.081254 0.048 Uiso 1 1 calc R U . . .
C24B C 0.6193(5) 0.7364(4) 0.0951(3) 0.068(2) Uani 1 1 d D . . . .
H24D H 0.563222 0.739518 0.062229 0.103 Uiso 1 1 calc R U . . .
H24E H 0.679528 0.762936 0.085940 0.103 Uiso 1 1 calc R U . . .
H24F H 0.602449 0.771593 0.125921 0.103 Uiso 1 1 calc R U . . .
C25B C 0.5455(4) 0.5885(6) 0.1255(3) 0.078(2) Uani 1 1 d D . . . .
H25D H 0.492054 0.586856 0.091308 0.117 Uiso 1 1 calc R U . . .
H25E H 0.522945 0.624442 0.154280 0.117 Uiso 1 1 calc R U . . .
H25F H 0.561787 0.525070 0.138988 0.117 Uiso 1 1 calc R U . . .
C26B C 0.9936(4) 0.6574(3) 0.25871(19) 0.0319(11) Uani 1 1 d D . . . .
H26B H 0.955798 0.714808 0.264123 0.038 Uiso 1 1 calc R U . . .
C27B C 1.0324(4) 0.6115(4) 0.3158(2) 0.0466(13) Uani 1 1 d D . . . .
H27D H 1.079914 0.653327 0.339961 0.070 Uiso 1 1 calc R U . . .
H27E H 1.066379 0.553218 0.310870 0.070 Uiso 1 1 calc R U . . .
H27F H 0.975909 0.598691 0.332995 0.070 Uiso 1 1 calc R U . . .
C28B C 1.0816(4) 0.6850(4) 0.2345(2) 0.0451(13) Uani 1 1 d D . . . .
H28D H 1.126695 0.725607 0.260955 0.068 Uiso 1 1 calc R U . . .
H28E H 1.057070 0.718175 0.199127 0.068 Uiso 1 1 calc R U . . .
H28F H 1.118122 0.629249 0.227691 0.068 Uiso 1 1 calc R U . . .
C29B C 0.8739(4) 0.7094(4) -0.0279(2) 0.0458(14) Uani 1 1 d D U . . .
H29B H 0.864574 0.646412 -0.045485 0.055 Uiso 1 1 calc R U . C 1
C30B C 0.9495(6) 0.7563(4) -0.0556(2) 0.065(2) Uani 1 1 d D U . . .
H30C H 0.928669 0.749070 -0.096789 0.078 Uiso 1 1 calc R U . . .
H30D H 0.953337 0.823455 -0.046758 0.078 Uiso 1 1 calc R U . . .
C31B C 1.0491(6) 0.7119(5) -0.0342(3) 0.071(2) Uani 1 1 d D U . . .
H31C H 1.102015 0.749038 -0.045574 0.085 Uiso 1 1 calc R U . . .
H31D H 1.049297 0.648913 -0.050286 0.085 Uiso 1 1 calc R U . . .
C32B C 1.0707(4) 0.7058(4) 0.0304(2) 0.0462(14) Uani 1 1 d D U . . .
H32B H 1.084930 0.771909 0.041884 0.055 Uiso 1 1 calc R U . D 1
C33B C 1.1573(8) 0.6537(9) 0.0696(7) 0.058(4) Uani 0.439(8) 1 d D U P E 1
H33B H 1.137931 0.652941 0.106534 0.070 Uiso 0.439(8) 1 calc R U P E 1
C34B C 1.1715(9) 0.5517(9) 0.0569(6) 0.058(3) Uani 0.439(8) 1 d D U P E 1
H34D H 1.106162 0.520359 0.048823 0.088 Uiso 0.439(8) 1 calc R U P E 1
H34E H 1.201482 0.546780 0.024376 0.088 Uiso 0.439(8) 1 calc R U P E 1
H34F H 1.215859 0.522394 0.089358 0.088 Uiso 0.439(8) 1 calc R U P E 1
C35B C 1.2594(11) 0.7002(12) 0.0819(8) 0.094(5) Uani 0.439(8) 1 d D U P E 1
H35D H 1.251880 0.766034 0.090235 0.140 Uiso 0.439(8) 1 calc R U P E 1
H35E H 1.303316 0.670098 0.114246 0.140 Uiso 0.439(8) 1 calc R U P E 1
H35F H 1.288938 0.694485 0.049265 0.140 Uiso 0.439(8) 1 calc R U P E 1
C36B C 0.7668(9) 0.7451(11) -0.0328(9) 0.068(4) Uani 0.402(10) 1 d D U P F 1
H36B H 0.742662 0.712466 -0.002354 0.082 Uiso 0.402(10) 1 calc R U P F 1
C37B C 0.6928(14) 0.7180(14) -0.0862(7) 0.085(5) Uani 0.402(10) 1 d D U P F 1
H37D H 0.700728 0.651945 -0.093824 0.127 Uiso 0.402(10) 1 calc R U P F 1
H37E H 0.624212 0.729447 -0.082084 0.127 Uiso 0.402(10) 1 calc R U P F 1
H37F H 0.705436 0.755077 -0.117412 0.127 Uiso 0.402(10) 1 calc R U P F 1
C38B C 0.7514(13) 0.8482(10) -0.0229(7) 0.074(5) Uani 0.402(10) 1 d D U P F 1
H38D H 0.798380 0.867999 0.011548 0.111 Uiso 0.402(10) 1 calc R U P F 1
H38E H 0.763585 0.884206 -0.054574 0.111 Uiso 0.402(10) 1 calc R U P F 1
H38F H 0.682361 0.858575 -0.019246 0.111 Uiso 0.402(10) 1 calc R U P F 1
C33D C 1.1476(8) 0.6304(9) 0.0471(5) 0.067(4) Uani 0.561(8) 1 d D U P E 2
H33D H 1.118184 0.567246 0.037762 0.081 Uiso 0.561(8) 1 calc R U P E 2
C34D C 1.1767(9) 0.6467(11) 0.1089(5) 0.083(4) Uani 0.561(8) 1 d D U P E 2
H34G H 1.227945 0.601406 0.126201 0.124 Uiso 0.561(8) 1 calc R U P E 2
H34H H 1.203647 0.709635 0.116285 0.124 Uiso 0.561(8) 1 calc R U P E 2
H34I H 1.117501 0.639572 0.124759 0.124 Uiso 0.561(8) 1 calc R U P E 2
C35D C 1.2346(8) 0.6484(9) 0.0204(5) 0.072(4) Uani 0.561(8) 1 d D U P E 2
H35G H 1.213571 0.637282 -0.019976 0.108 Uiso 0.561(8) 1 calc R U P E 2
H35H H 1.256624 0.712978 0.027148 0.108 Uiso 0.561(8) 1 calc R U P E 2
H35I H 1.290112 0.606615 0.036700 0.108 Uiso 0.561(8) 1 calc R U P E 2
C36D C 0.7757(8) 0.7606(10) -0.0382(6) 0.080(4) Uani 0.598(10) 1 d D U P F 2
H36D H 0.779903 0.817425 -0.014347 0.096 Uiso 0.598(10) 1 calc R U P F 2
C37D C 0.7063(10) 0.6902(10) -0.0239(6) 0.097(4) Uani 0.598(10) 1 d D U P F 2
H37G H 0.638841 0.716944 -0.029270 0.146 Uiso 0.598(10) 1 calc R U P F 2
H37H H 0.703986 0.635920 -0.048251 0.146 Uiso 0.598(10) 1 calc R U P F 2
H37I H 0.730111 0.671336 0.015245 0.146 Uiso 0.598(10) 1 calc R U P F 2
C38D C 0.7465(12) 0.7839(11) -0.1002(5) 0.102(5) Uani 0.598(10) 1 d D U P F 2
H38G H 0.792988 0.830391 -0.108933 0.153 Uiso 0.598(10) 1 calc R U P F 2
H38H H 0.749572 0.727589 -0.122170 0.153 Uiso 0.598(10) 1 calc R U P F 2
H38I H 0.677993 0.808795 -0.109502 0.153 Uiso 0.598(10) 1 calc R U P F 2
C2E1 C 0.4047(7) -0.1030(7) 0.2762(4) 0.112(4) Uani 0.910(7) 1 d D U P . .
H2EA H 0.425242 -0.063128 0.309244 0.168 Uiso 0.910(7) 1 calc R U P . .
H2EB H 0.435036 -0.080170 0.246257 0.168 Uiso 0.910(7) 1 calc R U P . .
H2EC H 0.427101 -0.166755 0.285917 0.168 Uiso 0.910(7) 1 calc R U P . .
C1E1 C 0.2952(7) -0.1013(6) 0.2573(4) 0.098(3) Uani 0.910(7) 1 d D U P . .
H1EA H 0.273071 -0.154216 0.231640 0.118 Uiso 0.910(7) 1 calc R U P . .
H1EB H 0.264561 -0.108395 0.289877 0.118 Uiso 0.910(7) 1 calc R U P . .
O1E1 O 0.2627(5) -0.0191(4) 0.2299(3) 0.106(2) Uani 0.910(7) 1 d D U P . .
C3E1 C 0.1615(8) -0.0080(8) 0.2117(5) 0.133(4) Uani 0.910(7) 1 d D U P . .
H3EA H 0.129801 -0.013327 0.243997 0.160 Uiso 0.910(7) 1 calc R U P . .
H3EB H 0.134668 -0.058562 0.185125 0.160 Uiso 0.910(7) 1 calc R U P . .
C4E1 C 0.1333(9) 0.0838(7) 0.1834(5) 0.160(6) Uani 0.910(7) 1 d D U P . .
H4EA H 0.060045 0.090382 0.174106 0.239 Uiso 0.910(7) 1 calc R U P . .
H4EB H 0.158147 0.086777 0.148970 0.239 Uiso 0.910(7) 1 calc R U P . .
H4EC H 0.163255 0.134193 0.208545 0.239 Uiso 0.910(7) 1 calc R U P . .
N1G N 1.1140(5) 0.8520(6) 0.3633(3) 0.116(3) Uani 1 1 d . U . . .
C1G C 1.0422(6) 0.8928(6) 0.3468(3) 0.083(2) Uani 1 1 d . U . . .
C2G C 0.9496(6) 0.9430(5) 0.3285(4) 0.083(2) Uani 1 1 d . U . . .
H2G1 H 0.894021 0.898964 0.317480 0.124 Uiso 1 1 calc R U . . .
H2G2 H 0.953670 0.982265 0.296489 0.124 Uiso 1 1 calc R U . . .
H2G3 H 0.938085 0.982080 0.359181 0.124 Uiso 1 1 calc R U . . .
Cl1 Cl 0.75039(12) 0.77774(8) 0.28562(6) 0.0456(4) Uani 1 1 d . . . . .
Cl2 Cl 0.81318(18) 1.10481(10) 0.23728(8) 0.0855(7) 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
Au1A C1A 2.076(4) . ?
Au1A P1A 2.3066(13) . ?
Au1A Cl1A 2.3487(13) . ?
Au1A P2A 2.3663(12) . ?
P1A C13A 1.810(4) . ?
P1A C22A 1.821(4) . ?
P1A C19A 1.851(4) . ?
P2A C18A 1.814(4) . ?
P2A C29A 1.841(5) . ?
P2A C32A 1.854(4) . ?
N1A C11A 1.333(6) . ?
N1A C7A 1.333(6) . ?
C1A C2A 1.376(6) . ?
C1A C6A 1.395(6) . ?
C2A C3A 1.428(6) . ?
C2A H2A 0.9500 . ?
C3A C4A 1.371(7) . ?
C3A C12A 1.493(6) . ?
C4A C5A 1.386(7) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.400(6) . ?
C5A H5A 0.9500 . ?
C6A C7A 1.478(6) . ?
C7A C8A 1.398(6) . ?
C8A C9A 1.378(7) . ?
C8A H8A 0.9500 . ?
C9A C10A 1.366(7) . ?
C9A H9A 0.9500 . ?
C10A C11A 1.381(7) . ?
C10A H10A 0.9500 . ?
C11A H11A 0.9500 . ?
C12A H12A 0.9800 . ?
C12A H12B 0.9800 . ?
C12A H12C 0.9800 . ?
C13A C14A 1.403(6) . ?
C13A C18A 1.403(6) . ?
C14A C15A 1.376(7) . ?
C14A H14A 0.9500 . ?
C15A C16A 1.392(7) . ?
C15A H15A 0.9500 . ?
C16A C17A 1.385(7) . ?
C16A H16A 0.9500 . ?
C17A C18A 1.382(6) . ?
C17A H17A 0.9500 . ?
C19A C26A 1.531(6) . ?
C19A C20A 1.537(6) . ?
C19A H19A 1.0000 . ?
C20A C21A 1.530(6) . ?
C20A H20A 0.9900 . ?
C20A H20B 0.9900 . ?
C21A C22A 1.538(6) . ?
C21A H21A 0.9900 . ?
C21A H21B 0.9900 . ?
C22A C23A 1.544(6) . ?
C22A H22A 1.0000 . ?
C23A C25A 1.534(6) . ?
C23A C24A 1.537(6) . ?
C23A H23A 1.0000 . ?
C24A H24A 0.9800 . ?
C24A H24B 0.9800 . ?
C24A H24C 0.9800 . ?
C25A H25A 0.9800 . ?
C25A H25B 0.9800 . ?
C25A H25C 0.9800 . ?
C26A C28A 1.524(7) . ?
C26A C27A 1.542(7) . ?
C26A H26A 1.0000 . ?
C27A H27A 0.9800 . ?
C27A H27B 0.9800 . ?
C27A H27C 0.9800 . ?
C28A H28A 0.9800 . ?
C28A H28B 0.9800 . ?
C28A H28C 0.9800 . ?
C29A C30A 1.529(6) . ?
C29A C36A 1.553(6) . ?
C29A H29A 1.0000 . ?
C30A C31A 1.518(7) . ?
C30A H30A 0.9900 . ?
C30A H30B 0.9900 . ?
C31A C32A 1.528(6) . ?
C31A H31A 0.9900 . ?
C31A H31B 0.9900 . ?
C32A C33A 1.529(7) . ?
C32A H32A 1.0000 . ?
C33A C35A 1.520(7) . ?
C33A C34A 1.523(6) . ?
C33A H33A 1.0000 . ?
C34A H34A 0.9800 . ?
C34A H34B 0.9800 . ?
C34A H34C 0.9800 . ?
C35A H35A 0.9800 . ?
C35A H35B 0.9800 . ?
C35A H35C 0.9800 . ?
C36A C38A 1.511(7) . ?
C36A C37A 1.529(7) . ?
C36A H36A 1.0000 . ?
C37A H37A 0.9800 . ?
C37A H37B 0.9800 . ?
C37A H37C 0.9800 . ?
C38A H38A 0.9800 . ?
C38A H38B 0.9800 . ?
C38A H38C 0.9800 . ?
Au1B C1B 2.072(4) . ?
Au1B P1B 2.2977(11) . ?
Au1B Cl1B 2.3488(11) . ?
Au1B P2B 2.3577(11) . ?
Au1D N1B 2.375(7) . ?
P1B C13B 1.818(4) . ?
P1B C22B 1.834(4) . ?
P1B C19B 1.853(4) . ?
P2B C18B 1.807(5) . ?
P2B C32B 1.846(5) . ?
P2B C29B 1.847(5) . ?
N1B C11B 1.326(7) . ?
N1B C7B 1.339(6) . ?
C1B C2B 1.387(7) . ?
C1B C6B 1.401(6) . ?
C2B C3B 1.402(7) . ?
C2B H2B 0.9500 . ?
C3B C4B 1.369(8) . ?
C3B C12B 1.496(7) . ?
C4B C5B 1.383(8) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.409(6) . ?
C5B H5B 0.9500 . ?
C6B C7B 1.483(7) . ?
C7B C8B 1.405(7) . ?
C8B C9B 1.359(8) . ?
C8B H8B 0.9500 . ?
C9B C10B 1.366(10) . ?
C9B H9B 0.9500 . ?
C10B C11B 1.378(9) . ?
C10B H10B 0.9500 . ?
C11B H11B 0.9500 . ?
C12B H12D 0.9800 . ?
C12B H12E 0.9800 . ?
C12B H12F 0.9800 . ?
C13B C18B 1.402(6) . ?
C13B C14B 1.402(6) . ?
C14B C15B 1.380(7) . ?
C14B H14B 0.9500 . ?
C15B C16B 1.387(7) . ?
C15B H15B 0.9500 . ?
C16B C17B 1.390(8) . ?
C16B H16B 0.9500 . ?
C17B C18B 1.393(6) . ?
C17B H17B 0.9500 . ?
C19B C26B 1.528(6) . ?
C19B C20B 1.555(6) . ?
C19B H19B 1.0000 . ?
C20B C21B 1.532(6) . ?
C20B H20C 0.9900 . ?
C20B H20D 0.9900 . ?
C21B C22B 1.517(6) . ?
C21B H21C 0.9900 . ?
C21B H21D 0.9900 . ?
C22B C23B 1.537(6) . ?
C22B H22B 1.0000 . ?
C23B C25B 1.536(7) . ?
C23B C24B 1.538(7) . ?
C23B H23B 1.0000 . ?
C24B H24D 0.9800 . ?
C24B H24E 0.9800 . ?
C24B H24F 0.9800 . ?
C25B H25D 0.9800 . ?
C25B H25E 0.9800 . ?
C25B H25F 0.9800 . ?
C26B C28B 1.512(7) . ?
C26B C27B 1.529(7) . ?
C26B H26B 1.0000 . ?
C27B H27D 0.9800 . ?
C27B H27E 0.9800 . ?
C27B H27F 0.9800 . ?
C28B H28D 0.9800 . ?
C28B H28E 0.9800 . ?
C28B H28F 0.9800 . ?
C29B C36D 1.502(10) . ?
C29B C30B 1.518(8) . ?
C29B C36B 1.532(10) . ?
C29B H29B 1.0000 . ?
C30B C31B 1.488(9) . ?
C30B H30C 0.9900 . ?
C30B H30D 0.9900 . ?
C31B C32B 1.546(8) . ?
C31B H31C 0.9900 . ?
C31B H31D 0.9900 . ?
C32B C33D 1.502(10) . ?
C32B C33B 1.54(1) . ?
C32B H32B 1.0000 . ?
C33B C35B 1.515(11) . ?
C33B C34B 1.523(12) . ?
C33B H33B 1.0000 . ?
C34B H34D 0.9800 . ?
C34B H34E 0.9800 . ?
C34B H34F 0.9800 . ?
C35B H35D 0.9800 . ?
C35B H35E 0.9800 . ?
C35B H35F 0.9800 . ?
C36B C37B 1.513(13) . ?
C36B C38B 1.527(12) . ?
C36B H36B 1.0000 . ?
C37B H37D 0.9800 . ?
C37B H37E 0.9800 . ?
C37B H37F 0.9800 . ?
C38B H38D 0.9800 . ?
C38B H38E 0.9800 . ?
C38B H38F 0.9800 . ?
C33D C34D 1.497(12) . ?
C33D C35D 1.505(11) . ?
C33D H33D 1.0000 . ?
C34D H34G 0.9800 . ?
C34D H34H 0.9800 . ?
C34D H34I 0.9800 . ?
C35D H35G 0.9800 . ?
C35D H35H 0.9800 . ?
C35D H35I 0.9800 . ?
C36D C37D 1.486(13) . ?
C36D C38D 1.519(13) . ?
C36D H36D 1.0000 . ?
C37D H37G 0.9800 . ?
C37D H37H 0.9800 . ?
C37D H37I 0.9800 . ?
C38D H38G 0.9800 . ?
C38D H38H 0.9800 . ?
C38D H38I 0.9800 . ?
C2E1 C1E1 1.463(11) . ?
C2E1 H2EA 0.9800 . ?
C2E1 H2EB 0.9800 . ?
C2E1 H2EC 0.9800 . ?
C1E1 O1E1 1.383(9) . ?
C1E1 H1EA 0.9900 . ?
C1E1 H1EB 0.9900 . ?
O1E1 C3E1 1.364(10) . ?
C3E1 C4E1 1.502(11) . ?
C3E1 H3EA 0.9900 . ?
C3E1 H3EB 0.9900 . ?
C4E1 H4EA 0.9800 . ?
C4E1 H4EB 0.9800 . ?
C4E1 H4EC 0.9800 . ?
N1G C1G 1.138(9) . ?
C1G C2G 1.438(11) . ?
C2G H2G1 0.9800 . ?
C2G H2G2 0.9800 . ?
C2G H2G3 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
C1A Au1A P1A 95.50(12) . . ?
C1A Au1A Cl1A 86.05(13) . . ?
P1A Au1A Cl1A 173.42(5) . . ?
C1A Au1A P2A 171.09(14) . . ?
P1A Au1A P2A 86.91(5) . . ?
Cl1A Au1A P2A 90.62(4) . . ?
C13A P1A C22A 109.9(2) . . ?
C13A P1A C19A 112.2(2) . . ?
C22A P1A C19A 96.4(2) . . ?
C13A P1A Au1A 106.13(15) . . ?
C22A P1A Au1A 117.11(15) . . ?
C19A P1A Au1A 115.09(15) . . ?
C18A P2A C29A 107.9(2) . . ?
C18A P2A C32A 109.2(2) . . ?
C29A P2A C32A 96.1(2) . . ?
C18A P2A Au1A 105.66(15) . . ?
C29A P2A Au1A 125.44(15) . . ?
C32A P2A Au1A 111.71(15) . . ?
C11A N1A C7A 118.3(4) . . ?
C2A C1A C6A 120.2(4) . . ?
C2A C1A Au1A 116.9(3) . . ?
C6A C1A Au1A 122.7(3) . . ?
C1A C2A C3A 121.2(4) . . ?
C1A C2A H2A 119.4 . . ?
C3A C2A H2A 119.4 . . ?
C4A C3A C2A 117.8(4) . . ?
C4A C3A C12A 122.0(5) . . ?
C2A C3A C12A 120.2(4) . . ?
C3A C4A C5A 121.2(4) . . ?
C3A C4A H4A 119.4 . . ?
C5A C4A H4A 119.4 . . ?
C4A C5A C6A 121.0(4) . . ?
C4A C5A H5A 119.5 . . ?
C6A C5A H5A 119.5 . . ?
C1A C6A C5A 118.6(4) . . ?
C1A C6A C7A 122.0(4) . . ?
C5A C6A C7A 119.4(4) . . ?
N1A C7A C8A 120.8(4) . . ?
N1A C7A C6A 117.5(4) . . ?
C8A C7A C6A 121.7(4) . . ?
C9A C8A C7A 119.9(5) . . ?
C9A C8A H8A 120.1 . . ?
C7A C8A H8A 120.1 . . ?
C10A C9A C8A 119.0(5) . . ?
C10A C9A H9A 120.5 . . ?
C8A C9A H9A 120.5 . . ?
C9A C10A C11A 118.0(5) . . ?
C9A C10A H10A 121.0 . . ?
C11A C10A H10A 121.0 . . ?
N1A C11A C10A 123.9(5) . . ?
N1A C11A H11A 118.0 . . ?
C10A C11A H11A 118.0 . . ?
C3A C12A H12A 109.5 . . ?
C3A C12A H12B 109.5 . . ?
H12A C12A H12B 109.5 . . ?
C3A C12A H12C 109.5 . . ?
H12A C12A H12C 109.5 . . ?
H12B C12A H12C 109.5 . . ?
C14A C13A C18A 119.5(4) . . ?
C14A C13A P1A 119.4(3) . . ?
C18A C13A P1A 121.0(3) . . ?
C15A C14A C13A 120.4(4) . . ?
C15A C14A H14A 119.8 . . ?
C13A C14A H14A 119.8 . . ?
C14A C15A C16A 119.7(4) . . ?
C14A C15A H15A 120.1 . . ?
C16A C15A H15A 120.1 . . ?
C17A C16A C15A 120.3(5) . . ?
C17A C16A H16A 119.8 . . ?
C15A C16A H16A 119.8 . . ?
C18A C17A C16A 120.6(5) . . ?
C18A C17A H17A 119.7 . . ?
C16A C17A H17A 119.7 . . ?
C17A C18A C13A 119.5(4) . . ?
C17A C18A P2A 121.7(4) . . ?
C13A C18A P2A 118.9(3) . . ?
C26A C19A C20A 113.6(4) . . ?
C26A C19A P1A 116.6(3) . . ?
C20A C19A P1A 103.7(3) . . ?
C26A C19A H19A 107.5 . . ?
C20A C19A H19A 107.5 . . ?
P1A C19A H19A 107.5 . . ?
C21A C20A C19A 110.8(3) . . ?
C21A C20A H20A 109.5 . . ?
C19A C20A H20A 109.5 . . ?
C21A C20A H20B 109.5 . . ?
C19A C20A H20B 109.5 . . ?
H20A C20A H20B 108.1 . . ?
C20A C21A C22A 106.1(4) . . ?
C20A C21A H21A 110.5 . . ?
C22A C21A H21A 110.5 . . ?
C20A C21A H21B 110.5 . . ?
C22A C21A H21B 110.5 . . ?
H21A C21A H21B 108.7 . . ?
C21A C22A C23A 120.0(4) . . ?
C21A C22A P1A 101.2(3) . . ?
C23A C22A P1A 116.5(3) . . ?
C21A C22A H22A 106.0 . . ?
C23A C22A H22A 106.0 . . ?
P1A C22A H22A 106.0 . . ?
C25A C23A C24A 111.1(4) . . ?
C25A C23A C22A 111.8(4) . . ?
C24A C23A C22A 109.1(4) . . ?
C25A C23A H23A 108.2 . . ?
C24A C23A H23A 108.2 . . ?
C22A C23A H23A 108.2 . . ?
C23A C24A H24A 109.5 . . ?
C23A C24A H24B 109.5 . . ?
H24A C24A H24B 109.5 . . ?
C23A C24A H24C 109.5 . . ?
H24A C24A H24C 109.5 . . ?
H24B C24A H24C 109.5 . . ?
C23A C25A H25A 109.5 . . ?
C23A C25A H25B 109.5 . . ?
H25A C25A H25B 109.5 . . ?
C23A C25A H25C 109.5 . . ?
H25A C25A H25C 109.5 . . ?
H25B C25A H25C 109.5 . . ?
C28A C26A C19A 110.7(4) . . ?
C28A C26A C27A 109.8(4) . . ?
C19A C26A C27A 110.6(4) . . ?
C28A C26A H26A 108.6 . . ?
C19A C26A H26A 108.6 . . ?
C27A C26A H26A 108.6 . . ?
C26A C27A H27A 109.5 . . ?
C26A C27A H27B 109.5 . . ?
H27A C27A H27B 109.5 . . ?
C26A C27A H27C 109.5 . . ?
H27A C27A H27C 109.5 . . ?
H27B C27A H27C 109.5 . . ?
C26A C28A H28A 109.5 . . ?
C26A C28A H28B 109.5 . . ?
H28A C28A H28B 109.5 . . ?
C26A C28A H28C 109.5 . . ?
H28A C28A H28C 109.5 . . ?
H28B C28A H28C 109.5 . . ?
C30A C29A C36A 116.5(4) . . ?
C30A C29A P2A 103.9(3) . . ?
C36A C29A P2A 119.0(3) . . ?
C30A C29A H29A 105.4 . . ?
C36A C29A H29A 105.4 . . ?
P2A C29A H29A 105.4 . . ?
C31A C30A C29A 107.3(4) . . ?
C31A C30A H30A 110.3 . . ?
C29A C30A H30A 110.3 . . ?
C31A C30A H30B 110.3 . . ?
C29A C30A H30B 110.3 . . ?
H30A C30A H30B 108.5 . . ?
C30A C31A C32A 108.0(4) . . ?
C30A C31A H31A 110.1 . . ?
C32A C31A H31A 110.1 . . ?
C30A C31A H31B 110.1 . . ?
C32A C31A H31B 110.1 . . ?
H31A C31A H31B 108.4 . . ?
C31A C32A C33A 116.9(4) . . ?
C31A C32A P2A 103.3(3) . . ?
C33A C32A P2A 116.5(3) . . ?
C31A C32A H32A 106.4 . . ?
C33A C32A H32A 106.4 . . ?
P2A C32A H32A 106.4 . . ?
C35A C33A C34A 110.1(4) . . ?
C35A C33A C32A 111.6(4) . . ?
C34A C33A C32A 110.8(4) . . ?
C35A C33A H33A 108.1 . . ?
C34A C33A H33A 108.1 . . ?
C32A C33A H33A 108.1 . . ?
C33A C34A H34A 109.5 . . ?
C33A C34A H34B 109.5 . . ?
H34A C34A H34B 109.5 . . ?
C33A C34A H34C 109.5 . . ?
H34A C34A H34C 109.5 . . ?
H34B C34A H34C 109.5 . . ?
C33A C35A H35A 109.5 . . ?
C33A C35A H35B 109.5 . . ?
H35A C35A H35B 109.5 . . ?
C33A C35A H35C 109.5 . . ?
H35A C35A H35C 109.5 . . ?
H35B C35A H35C 109.5 . . ?
C38A C36A C37A 108.6(4) . . ?
C38A C36A C29A 114.9(4) . . ?
C37A C36A C29A 109.6(4) . . ?
C38A C36A H36A 107.8 . . ?
C37A C36A H36A 107.8 . . ?
C29A C36A H36A 107.8 . . ?
C36A C37A H37A 109.5 . . ?
C36A C37A H37B 109.5 . . ?
H37A C37A H37B 109.5 . . ?
C36A C37A H37C 109.5 . . ?
H37A C37A H37C 109.5 . . ?
H37B C37A H37C 109.5 . . ?
C36A C38A H38A 109.5 . . ?
C36A C38A H38B 109.5 . . ?
H38A C38A H38B 109.5 . . ?
C36A C38A H38C 109.5 . . ?
H38A C38A H38C 109.5 . . ?
H38B C38A H38C 109.5 . . ?
C1B Au1B P1B 94.08(12) . . ?
C1B Au1B Cl1B 87.19(13) . . ?
P1B Au1B Cl1B 173.06(4) . . ?
C1B Au1B P2B 170.27(14) . . ?
P1B Au1B P2B 87.64(4) . . ?
Cl1B Au1B P2B 89.98(4) . . ?
C13B P1B C22B 108.9(2) . . ?
C13B P1B C19B 114.3(2) . . ?
C22B P1B C19B 96.2(2) . . ?
C13B P1B Au1B 106.31(15) . . ?
C22B P1B Au1B 118.03(15) . . ?
C19B P1B Au1B 113.13(14) . . ?
C18B P2B C32B 108.5(2) . . ?
C18B P2B C29B 110.8(3) . . ?
C32B P2B C29B 96.0(3) . . ?
C18B P2B Au1B 105.49(16) . . ?
C32B P2B Au1B 125.81(18) . . ?
C29B P2B Au1B 109.76(17) . . ?
C11B N1B C7B 118.3(5) . . ?
C11B N1B Au1D 119.8(4) . . ?
C7B N1B Au1D 116.4(4) . . ?
C2B C1B C6B 120.6(4) . . ?
C2B C1B Au1B 115.7(3) . . ?
C6B C1B Au1B 123.5(4) . . ?
C1B C2B C3B 120.9(5) . . ?
C1B C2B H2B 119.6 . . ?
C3B C2B H2B 119.6 . . ?
C4B C3B C2B 118.3(5) . . ?
C4B C3B C12B 122.9(5) . . ?
C2B C3B C12B 118.8(6) . . ?
C3B C4B C5B 122.0(5) . . ?
C3B C4B H4B 119.0 . . ?
C5B C4B H4B 119.0 . . ?
C4B C5B C6B 120.3(5) . . ?
C4B C5B H5B 119.9 . . ?
C6B C5B H5B 119.9 . . ?
C1B C6B C5B 117.9(5) . . ?
C1B C6B C7B 123.5(4) . . ?
C5B C6B C7B 118.5(4) . . ?
N1B C7B C8B 120.7(5) . . ?
N1B C7B C6B 117.4(4) . . ?
C8B C7B C6B 121.9(5) . . ?
C9B C8B C7B 119.3(6) . . ?
C9B C8B H8B 120.3 . . ?
C7B C8B H8B 120.3 . . ?
C8B C9B C10B 120.1(6) . . ?
C8B C9B H9B 120.0 . . ?
C10B C9B H9B 120.0 . . ?
C9B C10B C11B 117.6(6) . . ?
C9B C10B H10B 121.2 . . ?
C11B C10B H10B 121.2 . . ?
N1B C11B C10B 124.0(6) . . ?
N1B C11B H11B 118.0 . . ?
C10B C11B H11B 118.0 . . ?
C3B C12B H12D 109.5 . . ?
C3B C12B H12E 109.5 . . ?
H12D C12B H12E 109.5 . . ?
C3B C12B H12F 109.5 . . ?
H12D C12B H12F 109.5 . . ?
H12E C12B H12F 109.5 . . ?
C18B C13B C14B 119.9(4) . . ?
C18B C13B P1B 120.6(3) . . ?
C14B C13B P1B 119.5(3) . . ?
C15B C14B C13B 120.6(4) . . ?
C15B C14B H14B 119.7 . . ?
C13B C14B H14B 119.7 . . ?
C14B C15B C16B 119.6(5) . . ?
C14B C15B H15B 120.2 . . ?
C16B C15B H15B 120.2 . . ?
C15B C16B C17B 120.4(5) . . ?
C15B C16B H16B 119.8 . . ?
C17B C16B H16B 119.8 . . ?
C16B C17B C18B 120.8(5) . . ?
C16B C17B H17B 119.6 . . ?
C18B C17B H17B 119.6 . . ?
C17B C18B C13B 118.8(5) . . ?
C17B C18B P2B 121.4(4) . . ?
C13B C18B P2B 119.8(4) . . ?
C26B C19B C20B 113.2(4) . . ?
C26B C19B P1B 118.0(3) . . ?
C20B C19B P1B 103.1(3) . . ?
C26B C19B H19B 107.3 . . ?
C20B C19B H19B 107.3 . . ?
P1B C19B H19B 107.3 . . ?
C21B C20B C19B 111.7(3) . . ?
C21B C20B H20C 109.3 . . ?
C19B C20B H20C 109.3 . . ?
C21B C20B H20D 109.3 . . ?
C19B C20B H20D 109.3 . . ?
H20C C20B H20D 107.9 . . ?
C22B C21B C20B 106.5(4) . . ?
C22B C21B H21C 110.4 . . ?
C20B C21B H21C 110.4 . . ?
C22B C21B H21D 110.4 . . ?
C20B C21B H21D 110.4 . . ?
H21C C21B H21D 108.6 . . ?
C21B C22B C23B 119.2(4) . . ?
C21B C22B P1B 101.8(3) . . ?
C23B C22B P1B 117.2(3) . . ?
C21B C22B H22B 105.8 . . ?
C23B C22B H22B 105.8 . . ?
P1B C22B H22B 105.8 . . ?
C25B C23B C22B 110.7(4) . . ?
C25B C23B C24B 111.4(5) . . ?
C22B C23B C24B 110.2(4) . . ?
C25B C23B H23B 108.2 . . ?
C22B C23B H23B 108.2 . . ?
C24B C23B H23B 108.2 . . ?
C23B C24B H24D 109.5 . . ?
C23B C24B H24E 109.5 . . ?
H24D C24B H24E 109.5 . . ?
C23B C24B H24F 109.5 . . ?
H24D C24B H24F 109.5 . . ?
H24E C24B H24F 109.5 . . ?
C23B C25B H25D 109.5 . . ?
C23B C25B H25E 109.5 . . ?
H25D C25B H25E 109.5 . . ?
C23B C25B H25F 109.5 . . ?
H25D C25B H25F 109.5 . . ?
H25E C25B H25F 109.5 . . ?
C28B C26B C19B 112.4(4) . . ?
C28B C26B C27B 109.4(4) . . ?
C19B C26B C27B 109.4(4) . . ?
C28B C26B H26B 108.5 . . ?
C19B C26B H26B 108.5 . . ?
C27B C26B H26B 108.5 . . ?
C26B C27B H27D 109.5 . . ?
C26B C27B H27E 109.5 . . ?
H27D C27B H27E 109.5 . . ?
C26B C27B H27F 109.5 . . ?
H27D C27B H27F 109.5 . . ?
H27E C27B H27F 109.5 . . ?
C26B C28B H28D 109.5 . . ?
C26B C28B H28E 109.5 . . ?
H28D C28B H28E 109.5 . . ?
C26B C28B H28F 109.5 . . ?
H28D C28B H28F 109.5 . . ?
H28E C28B H28F 109.5 . . ?
C36D C29B C30B 112.4(7) . . ?
C30B C29B C36B 123.6(9) . . ?
C36D C29B P2B 120.1(7) . . ?
C30B C29B P2B 104.1(4) . . ?
C36B C29B P2B 114.7(9) . . ?
C30B C29B H29B 104.1 . . ?
C36B C29B H29B 104.1 . . ?
P2B C29B H29B 104.1 . . ?
C31B C30B C29B 108.2(5) . . ?
C31B C30B H30C 110.1 . . ?
C29B C30B H30C 110.1 . . ?
C31B C30B H30D 110.1 . . ?
C29B C30B H30D 110.1 . . ?
H30C C30B H30D 108.4 . . ?
C30B C31B C32B 109.5(5) . . ?
C30B C31B H31C 109.8 . . ?
C32B C31B H31C 109.8 . . ?
C30B C31B H31D 109.8 . . ?
C32B C31B H31D 109.8 . . ?
H31C C31B H31D 108.2 . . ?
C33D C32B C31B 106.3(6) . . ?
C33B C32B C31B 127.5(8) . . ?
C33D C32B P2B 117.9(6) . . ?
C33B C32B P2B 115.4(6) . . ?
C31B C32B P2B 103.3(4) . . ?
C33B C32B H32B 102.4 . . ?
C31B C32B H32B 102.4 . . ?
P2B C32B H32B 102.4 . . ?
C35B C33B C34B 108.2(10) . . ?
C35B C33B C32B 116.9(11) . . ?
C34B C33B C32B 117.2(11) . . ?
C35B C33B H33B 104.3 . . ?
C34B C33B H33B 104.3 . . ?
C32B C33B H33B 104.3 . . ?
C33B C34B H34D 109.5 . . ?
C33B C34B H34E 109.5 . . ?
H34D C34B H34E 109.5 . . ?
C33B C34B H34F 109.5 . . ?
H34D C34B H34F 109.5 . . ?
H34E C34B H34F 109.5 . . ?
C33B C35B H35D 109.5 . . ?
C33B C35B H35E 109.5 . . ?
H35D C35B H35E 109.5 . . ?
C33B C35B H35F 109.5 . . ?
H35D C35B H35F 109.5 . . ?
H35E C35B H35F 109.5 . . ?
C37B C36B C38B 107.4(11) . . ?
C37B C36B C29B 114.8(14) . . ?
C38B C36B C29B 118.5(12) . . ?
C37B C36B H36B 104.9 . . ?
C38B C36B H36B 104.9 . . ?
C29B C36B H36B 104.9 . . ?
C36B C37B H37D 109.5 . . ?
C36B C37B H37E 109.5 . . ?
H37D C37B H37E 109.5 . . ?
C36B C37B H37F 109.5 . . ?
H37D C37B H37F 109.5 . . ?
H37E C37B H37F 109.5 . . ?
C36B C38B H38D 109.5 . . ?
C36B C38B H38E 109.5 . . ?
H38D C38B H38E 109.5 . . ?
C36B C38B H38F 109.5 . . ?
H38D C38B H38F 109.5 . . ?
H38E C38B H38F 109.5 . . ?
C34D C33D C32B 99.9(9) . . ?
C34D C33D C35D 111.1(10) . . ?
C32B C33D C35D 109.3(9) . . ?
C34D C33D H33D 112.0 . . ?
C32B C33D H33D 112.0 . . ?
C35D C33D H33D 112.0 . . ?
C33D C34D H34G 109.5 . . ?
C33D C34D H34H 109.5 . . ?
H34G C34D H34H 109.5 . . ?
C33D C34D H34I 109.5 . . ?
H34G C34D H34I 109.5 . . ?
H34H C34D H34I 109.5 . . ?
C33D C35D H35G 109.5 . . ?
C33D C35D H35H 109.5 . . ?
H35G C35D H35H 109.5 . . ?
C33D C35D H35I 109.5 . . ?
H35G C35D H35I 109.5 . . ?
H35H C35D H35I 109.5 . . ?
C37D C36D C29B 102.8(10) . . ?
C37D C36D C38D 110.5(11) . . ?
C29B C36D C38D 107.3(11) . . ?
C37D C36D H36D 111.9 . . ?
C29B C36D H36D 111.9 . . ?
C38D C36D H36D 111.9 . . ?
C36D C37D H37G 109.5 . . ?
C36D C37D H37H 109.5 . . ?
H37G C37D H37H 109.5 . . ?
C36D C37D H37I 109.5 . . ?
H37G C37D H37I 109.5 . . ?
H37H C37D H37I 109.5 . . ?
C36D C38D H38G 109.5 . . ?
C36D C38D H38H 109.5 . . ?
H38G C38D H38H 109.5 . . ?
C36D C38D H38I 109.5 . . ?
H38G C38D H38I 109.5 . . ?
H38H C38D H38I 109.5 . . ?
C1E1 C2E1 H2EA 109.5 . . ?
C1E1 C2E1 H2EB 109.5 . . ?
H2EA C2E1 H2EB 109.5 . . ?
C1E1 C2E1 H2EC 109.5 . . ?
H2EA C2E1 H2EC 109.5 . . ?
H2EB C2E1 H2EC 109.5 . . ?
O1E1 C1E1 C2E1 111.2(8) . . ?
O1E1 C1E1 H1EA 109.4 . . ?
C2E1 C1E1 H1EA 109.4 . . ?
O1E1 C1E1 H1EB 109.4 . . ?
C2E1 C1E1 H1EB 109.4 . . ?
H1EA C1E1 H1EB 108.0 . . ?
C3E1 O1E1 C1E1 116.7(8) . . ?
O1E1 C3E1 C4E1 112.9(10) . . ?
O1E1 C3E1 H3EA 109.0 . . ?
C4E1 C3E1 H3EA 109.0 . . ?
O1E1 C3E1 H3EB 109.0 . . ?
C4E1 C3E1 H3EB 109.0 . . ?
H3EA C3E1 H3EB 107.8 . . ?
C3E1 C4E1 H4EA 109.5 . . ?
C3E1 C4E1 H4EB 109.5 . . ?
H4EA C4E1 H4EB 109.5 . . ?
C3E1 C4E1 H4EC 109.5 . . ?
H4EA C4E1 H4EC 109.5 . . ?
H4EB C4E1 H4EC 109.5 . . ?
N1G C1G C2G 177.0(11) . . ?
C1G C2G H2G1 109.5 . . ?
C1G C2G H2G2 109.5 . . ?
H2G1 C2G H2G2 109.5 . . ?
C1G C2G H2G3 109.5 . . ?
H2G1 C2G H2G3 109.5 . . ?
H2G2 C2G H2G3 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
C6A C1A C2A C3A 0.8(7) . . . . ?
Au1A C1A C2A C3A 176.0(3) . . . . ?
C1A C2A C3A C4A 0.6(7) . . . . ?
C1A C2A C3A C12A 179.8(5) . . . . ?
C2A C3A C4A C5A -1.5(7) . . . . ?
C12A C3A C4A C5A 179.2(5) . . . . ?
C3A C4A C5A C6A 1.1(7) . . . . ?
C2A C1A C6A C5A -1.3(6) . . . . ?
Au1A C1A C6A C5A -176.2(3) . . . . ?
C2A C1A C6A C7A 176.9(4) . . . . ?
Au1A C1A C6A C7A 2.0(6) . . . . ?
C4A C5A C6A C1A 0.4(6) . . . . ?
C4A C5A C6A C7A -177.8(4) . . . . ?
C11A N1A C7A C8A 1.6(6) . . . . ?
C11A N1A C7A C6A -179.5(4) . . . . ?
C1A C6A C7A N1A -25.6(6) . . . . ?
C5A C6A C7A N1A 152.5(4) . . . . ?
C1A C6A C7A C8A 153.2(4) . . . . ?
C5A C6A C7A C8A -28.6(6) . . . . ?
N1A C7A C8A C9A -0.3(7) . . . . ?
C6A C7A C8A C9A -179.1(4) . . . . ?
C7A C8A C9A C10A -1.5(8) . . . . ?
C8A C9A C10A C11A 1.8(8) . . . . ?
C7A N1A C11A C10A -1.3(7) . . . . ?
C9A C10A C11A N1A -0.4(8) . . . . ?
C22A P1A C13A C14A 43.8(4) . . . . ?
C19A P1A C13A C14A -62.2(4) . . . . ?
Au1A P1A C13A C14A 171.3(3) . . . . ?
C22A P1A C13A C18A -139.3(4) . . . . ?
C19A P1A C13A C18A 114.7(4) . . . . ?
Au1A P1A C13A C18A -11.7(4) . . . . ?
C18A C13A C14A C15A -1.2(7) . . . . ?
P1A C13A C14A C15A 175.8(4) . . . . ?
C13A C14A C15A C16A -0.2(8) . . . . ?
C14A C15A C16A C17A 1.2(9) . . . . ?
C15A C16A C17A C18A -0.8(9) . . . . ?
C16A C17A C18A C13A -0.6(9) . . . . ?
C16A C17A C18A P2A 178.9(4) . . . . ?
C14A C13A C18A C17A 1.6(8) . . . . ?
P1A C13A C18A C17A -175.4(4) . . . . ?
C14A C13A C18A P2A -178.0(4) . . . . ?
P1A C13A C18A P2A 5.1(6) . . . . ?
C29A P2A C18A C17A 48.2(5) . . . . ?
C32A P2A C18A C17A -55.1(5) . . . . ?
Au1A P2A C18A C17A -175.4(4) . . . . ?
C29A P2A C18A C13A -132.2(4) . . . . ?
C32A P2A C18A C13A 124.5(4) . . . . ?
Au1A P2A C18A C13A 4.2(4) . . . . ?
C13A P1A C19A C26A -2.6(4) . . . . ?
C22A P1A C19A C26A -117.1(4) . . . . ?
Au1A P1A C19A C26A 118.9(3) . . . . ?
C13A P1A C19A C20A 123.1(3) . . . . ?
C22A P1A C19A C20A 8.6(3) . . . . ?
Au1A P1A C19A C20A -115.4(3) . . . . ?
C26A C19A C20A C21A 146.4(4) . . . . ?
P1A C19A C20A C21A 18.8(4) . . . . ?
C19A C20A C21A C22A -44.6(5) . . . . ?
C20A C21A C22A C23A 176.8(4) . . . . ?
C20A C21A C22A P1A 47.1(4) . . . . ?
C13A P1A C22A C21A -148.7(3) . . . . ?
C19A P1A C22A C21A -32.3(3) . . . . ?
Au1A P1A C22A C21A 90.2(3) . . . . ?
C13A P1A C22A C23A 79.5(4) . . . . ?
C19A P1A C22A C23A -164.2(3) . . . . ?
Au1A P1A C22A C23A -41.7(3) . . . . ?
C21A C22A C23A C25A 22.2(6) . . . . ?
P1A C22A C23A C25A 144.7(4) . . . . ?
C21A C22A C23A C24A 145.6(4) . . . . ?
P1A C22A C23A C24A -91.9(4) . . . . ?
C20A C19A C26A C28A 49.9(5) . . . . ?
P1A C19A C26A C28A 170.4(4) . . . . ?
C20A C19A C26A C27A 171.8(4) . . . . ?
P1A C19A C26A C27A -67.6(5) . . . . ?
C18A P2A C29A C30A -126.7(3) . . . . ?
C32A P2A C29A C30A -14.2(3) . . . . ?
Au1A P2A C29A C30A 108.0(3) . . . . ?
C18A P2A C29A C36A 101.9(4) . . . . ?
C32A P2A C29A C36A -145.6(3) . . . . ?
Au1A P2A C29A C36A -23.4(4) . . . . ?
C36A C29A C30A C31A 171.1(4) . . . . ?
P2A C29A C30A C31A 38.2(4) . . . . ?
C29A C30A C31A C32A -51.1(5) . . . . ?
C30A C31A C32A C33A 166.8(4) . . . . ?
C30A C31A C32A P2A 37.4(4) . . . . ?
C18A P2A C32A C31A 98.5(3) . . . . ?
C29A P2A C32A C31A -12.9(3) . . . . ?
Au1A P2A C32A C31A -144.9(2) . . . . ?
C18A P2A C32A C33A -31.1(4) . . . . ?
C29A P2A C32A C33A -142.5(3) . . . . ?
Au1A P2A C32A C33A 85.4(3) . . . . ?
C31A C32A C33A C35A 176.8(4) . . . . ?
P2A C32A C33A C35A -60.4(5) . . . . ?
C31A C32A C33A C34A 53.8(6) . . . . ?
P2A C32A C33A C34A 176.6(4) . . . . ?
C30A C29A C36A C38A -54.7(5) . . . . ?
P2A C29A C36A C38A 70.9(5) . . . . ?
C30A C29A C36A C37A 67.9(5) . . . . ?
P2A C29A C36A C37A -166.5(3) . . . . ?
C6B C1B C2B C3B 0.3(7) . . . . ?
Au1B C1B C2B C3B 176.0(4) . . . . ?
C1B C2B C3B C4B 1.0(8) . . . . ?
C1B C2B C3B C12B 178.8(5) . . . . ?
C2B C3B C4B C5B -2.2(9) . . . . ?
C12B C3B C4B C5B -179.9(6) . . . . ?
C3B C4B C5B C6B 2.1(8) . . . . ?
C2B C1B C6B C5B -0.4(7) . . . . ?
Au1B C1B C6B C5B -175.7(3) . . . . ?
C2B C1B C6B C7B 177.3(4) . . . . ?
Au1B C1B C6B C7B 1.9(6) . . . . ?
C4B C5B C6B C1B -0.8(7) . . . . ?
C4B C5B C6B C7B -178.5(5) . . . . ?
C11B N1B C7B C8B 0.1(7) . . . . ?
Au1D N1B C7B C8B -153.9(4) . . . . ?
C11B N1B C7B C6B -178.9(4) . . . . ?
Au1D N1B C7B C6B 27.2(5) . . . . ?
C1B C6B C7B N1B -17.9(7) . . . . ?
C5B C6B C7B N1B 159.7(4) . . . . ?
C1B C6B C7B C8B 163.1(5) . . . . ?
C5B C6B C7B C8B -19.3(7) . . . . ?
N1B C7B C8B C9B 0.7(9) . . . . ?
C6B C7B C8B C9B 179.6(6) . . . . ?
C7B C8B C9B C10B -1.3(12) . . . . ?
C8B C9B C10B C11B 1.2(12) . . . . ?
C7B N1B C11B C10B -0.2(9) . . . . ?
Au1D N1B C11B C10B 152.9(6) . . . . ?
C9B C10B C11B N1B -0.5(11) . . . . ?
C22B P1B C13B C18B -132.1(4) . . . . ?
C19B P1B C13B C18B 121.6(4) . . . . ?
Au1B P1B C13B C18B -4.0(4) . . . . ?
C22B P1B C13B C14B 46.7(4) . . . . ?
C19B P1B C13B C14B -59.6(4) . . . . ?
Au1B P1B C13B C14B 174.9(3) . . . . ?
C18B C13B C14B C15B 1.0(8) . . . . ?
P1B C13B C14B C15B -177.9(5) . . . . ?
C13B C14B C15B C16B -1.0(9) . . . . ?
C14B C15B C16B C17B 0.3(11) . . . . ?
C15B C16B C17B C18B 0.5(11) . . . . ?
C16B C17B C18B C13B -0.5(10) . . . . ?
C16B C17B C18B P2B 177.1(5) . . . . ?
C14B C13B C18B C17B -0.3(8) . . . . ?
P1B C13B C18B C17B 178.6(5) . . . . ?
C14B C13B C18B P2B -177.9(4) . . . . ?
P1B C13B C18B P2B 1.0(6) . . . . ?
C32B P2B C18B C17B 47.8(6) . . . . ?
C29B P2B C18B C17B -56.4(6) . . . . ?
Au1B P2B C18B C17B -175.1(5) . . . . ?
C32B P2B C18B C13B -134.6(4) . . . . ?
C29B P2B C18B C13B 121.2(4) . . . . ?
Au1B P2B C18B C13B 2.5(5) . . . . ?
C13B P1B C19B C26B -1.2(4) . . . . ?
C22B P1B C19B C26B -115.2(4) . . . . ?
Au1B P1B C19B C26B 120.7(3) . . . . ?
C13B P1B C19B C20B 124.4(3) . . . . ?
C22B P1B C19B C20B 10.4(3) . . . . ?
Au1B P1B C19B C20B -113.7(3) . . . . ?
C26B C19B C20B C21B 144.6(4) . . . . ?
P1B C19B C20B C21B 16.0(4) . . . . ?
C19B C20B C21B C22B -42.4(5) . . . . ?
C20B C21B C22B C23B 177.1(4) . . . . ?
C20B C21B C22B P1B 46.5(4) . . . . ?
C13B P1B C22B C21B -151.7(3) . . . . ?
C19B P1B C22B C21B -33.3(3) . . . . ?
Au1B P1B C22B C21B 87.1(3) . . . . ?
C13B P1B C22B C23B 76.4(4) . . . . ?
C19B P1B C22B C23B -165.2(4) . . . . ?
Au1B P1B C22B C23B -44.8(4) . . . . ?
C21B C22B C23B C25B 32.8(7) . . . . ?
P1B C22B C23B C25B 156.2(4) . . . . ?
C21B C22B C23B C24B 156.4(5) . . . . ?
P1B C22B C23B C24B -80.2(5) . . . . ?
C20B C19B C26B C28B 175.7(4) . . . . ?
P1B C19B C26B C28B -63.8(5) . . . . ?
C20B C19B C26B C27B 53.9(5) . . . . ?
P1B C19B C26B C27B 174.4(3) . . . . ?
C18B P2B C29B C36D -29.8(8) . . . . ?
C32B P2B C29B C36D -142.1(8) . . . . ?
C18B P2B C29B C30B 97.0(4) . . . . ?
C32B P2B C29B C30B -15.3(4) . . . . ?
Au1B P2B C29B C30B -146.9(3) . . . . ?
C18B P2B C29B C36B -41.0(8) . . . . ?
C32B P2B C29B C36B -153.4(8) . . . . ?
Au1B P2B C29B C36B 75.1(8) . . . . ?
C36D C29B C30B C31B 169.1(8) . . . . ?
C36B C29B C30B C31B 170.8(9) . . . . ?
P2B C29B C30B C31B 37.6(5) . . . . ?
C29B C30B C31B C32B -48.2(6) . . . . ?
C30B C31B C32B C33D 158.4(7) . . . . ?
C30B C31B C32B C33B 171.1(8) . . . . ?
C30B C31B C32B P2B 33.6(6) . . . . ?
C18B P2B C32B C33D 119.3(7) . . . . ?
C29B P2B C32B C33D -126.4(7) . . . . ?
C18B P2B C32B C33B 92.5(7) . . . . ?
C29B P2B C32B C33B -153.2(7) . . . . ?
Au1B P2B C32B C33B -33.5(8) . . . . ?
C18B P2B C32B C31B -123.9(4) . . . . ?
C29B P2B C32B C31B -9.6(4) . . . . ?
Au1B P2B C32B C31B 110.1(4) . . . . ?
C31B C32B C33B C35B 78.2(15) . . . . ?
P2B C32B C33B C35B -148.5(11) . . . . ?
C31B C32B C33B C34B -52.6(15) . . . . ?
P2B C32B C33B C34B 80.7(13) . . . . ?
C30B C29B C36B C37B 81.1(16) . . . . ?
P2B C29B C36B C37B -150.0(13) . . . . ?
C30B C29B C36B C38B -47.7(19) . . . . ?
P2B C29B C36B C38B 81.1(17) . . . . ?
C31B C32B C33D C34D 168.3(8) . . . . ?
P2B C32B C33D C34D -76.5(10) . . . . ?
C31B C32B C33D C35D 51.6(11) . . . . ?
P2B C32B C33D C35D 166.8(8) . . . . ?
C30B C29B C36D C37D 163.0(9) . . . . ?
P2B C29B C36D C37D -74.1(11) . . . . ?
C30B C29B C36D C38D 46.4(12) . . . . ?
P2B C29B C36D C38D 169.3(8) . . . . ?
C2E1 C1E1 O1E1 C3E1 -178.0(9) . . . . ?
C1E1 O1E1 C3E1 C4E1 179.(1) . . . . ?

_refine_diff_density_max         0.930
_refine_diff_density_min         -0.489
_refine_diff_density_rms         0.065




####################################################################### 
# 
# 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_m21259s
_database_code_depnum_ccdc_archive 'CCDC 2173748'
loop_
_audit_author_name
_audit_author_address
'Sean Parkin'
;UKy
United States of America
;
# CIF edited on-the-fly by script CIFFIX (S. Parkin, 2000-2017). 
# CIFFIX: https://xray.uky.edu/Resources/scripts/ciffix 
_audit_update_record             
;
2022-05-19 deposited with the CCDC.	2022-08-12 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT934_m21259s             
;
PROBLEM: Number of (Iobs-Icalc)/Sigma(W) > 10 Outliers ..          2 Check 
RESPONSE: This occurs for two reflections at moderate resolution, both 
of which have Iobs > Icalc. This cannot therefore be ascribed to any of 
the usual phenomena (i.e., it's not the beamstop). It is most likely a 
result of incomplete SQUEEZE. In such cases we always leave the offending 
datapoints in the dataset and thereby let the reader decide. To remove 
them would constitute cherry picking, which is bad scientific practice.
;
_vrf_PLAT987_m21259s             
;
PROBLEM: The Flack x is >> 0 -  Do a BASF/TWIN Refinement     Please Check 
RESPONSE: The Flack x obtained via Parsons' method was 0.022(2), so the 
SU appears to be too small. From a TWIN/BASF refinement, it comes out to 
be 0.018(5), which is much more normal. In any case, the starting ligand 
was enantiopure (according to the chemists). Either way, the exercise 
serves no particular purpose other than to verify the presented results.  
;
# end Validation Reply Form


_audit_creation_method           SHELXL-2018/3

_shelx_SHELXL_version_number     2018/3

_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '2(C37 H52 Au Cl N P2), C2 H3 N, 2(Cl)'
_chemical_formula_sum            'C76 H107 Au2 Cl4 N3 P4'
_chemical_formula_weight         1722.25

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'

_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                   14.7916(4)
_cell_length_b                   20.4903(5)
_cell_length_c                   30.1218(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     9129.4(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    90.0(2)
_cell_measurement_reflns_used    9231
_cell_measurement_theta_min      2.40
_cell_measurement_theta_max      27.46

_exptl_crystal_description       slab
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.253
_exptl_crystal_F_000             3480
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.170
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    3.433
_shelx_estimated_absorpt_T_min   0.593
_shelx_estimated_absorpt_T_max   0.771
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.577
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_process_details   'SADABS (Krause et al., 2015)'
_exptl_absorpt_special_details   
; 
In addition to absorption, multi-scan techniques also correct other slowly 
varying changes in scale factor over reciprocal space, such as those caused 
by X-ray beam inhomogeneity, goniometer imperfection, crystal decomposition, 
crystal longer than the X-ray beam cross section, absorption by the crystal 
mount etc.  These account, by and large, for much of the difference between 
estimated values of Tmin and Tmax and the _exptl_absorpt_correction_ values. 
;

_exptl_special_details           
; 
The crystal was mounted using polyisobutene oil on the tip of a fine glass 
fibre, which was fastened in a copper mounting pin with electrical solder. 
It was placed directly into the cold gas stream of a liquid-nitrogen based 
cryostat (Hope, 1994; Parkin & Hope, 1998). 
 
Diffraction data were collected with the crystal at 90K, which is standard 
practice in this laboratory for the majority of flash-cooled crystals. 
;

_diffrn_ambient_temperature      90.0(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  'Bruker D8 Venture dual source'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 7.41
_diffrn_reflns_number            144462
_diffrn_reflns_av_unetI/netI     0.0492
_diffrn_reflns_av_R_equivalents  0.0393
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_theta_min         2.100
_diffrn_reflns_theta_max         27.502
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.995

_reflns_number_total             20862
_reflns_number_gt                18356
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.838
_reflns_Friedel_fraction_max     0.991
_reflns_Friedel_fraction_full    0.990
_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       'APEX3 (Bruker-AXS, 2016)'
_computing_cell_refinement       'APEX3 (Bruker-AXS, 2016)'
_computing_data_reduction        'APEX3 (Bruker-AXS, 2016)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015a)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015b)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  
'SHELX (Sheldrick, 2008) and CIFFIX (Parkin, 2013)'

_refine_special_details          
;Refinement progress was checked using Platon (Spek, 2009) and by 
an R-tensor (Parkin, 2000). The final model was further checked 
with the IUCr utility checkCIF.,SQUEEZE
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0228P)²+2.1788P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
; 
Flack 'x' determined using 7596 quotients [(I+)-(I-)]/[(I+)+(I-)] 
[Parsons, Flack and Wagner (2013)]. 
;
_refine_ls_abs_structure_Flack   0.022(2)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         20862
_refine_ls_number_parameters     845
_refine_ls_number_restraints     836
_refine_ls_R_factor_all          0.0349
_refine_ls_R_factor_gt           0.0285
_refine_ls_wR_factor_ref         0.0680
_refine_ls_wR_factor_gt          0.0666
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.031
_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
Au1A Au 0.61015(2) 0.47254(2) 0.45700(2) 0.03177(7) Uani 0.9867(5) 1 d . . P A
1
Au1C Au 0.6160(12) 0.5209(9) 0.4598(4) 0.03177(7) Uani 0.0133(5) 1 d . . P A 2
Cl1A Cl 0.53232(11) 0.44586(8) 0.52278(4) 0.0461(4) Uani 1 1 d . . . . .
P1A P 0.74827(11) 0.48367(8) 0.49578(4) 0.0366(4) Uani 1 1 d . . . . .
P2A P 0.69112(10) 0.48420(8) 0.39268(4) 0.0315(3) Uani 1 1 d . . . . .
N1 N 0.5113(5) 0.5837(3) 0.44396(19) 0.0633(17) Uani 1 1 d . . . . .
C1A C 0.4931(4) 0.4487(4) 0.42324(17) 0.0440(15) Uani 1 1 d . . . . .
C2A C 0.4720(4) 0.3824(4) 0.41901(19) 0.0492(17) Uani 1 1 d . . . . .
H2A H 0.511984 0.350196 0.430390 0.059 Uiso 1 1 calc R U . . .
C3A C 0.3922(5) 0.3639(5) 0.3980(2) 0.072(2) Uani 1 1 d . . . . .
H3A H 0.379000 0.318781 0.394811 0.087 Uiso 1 1 calc R U . . .
C4A C 0.3330(5) 0.4081(6) 0.3822(2) 0.082(3) Uani 1 1 d . . . . .
H4A H 0.278750 0.394664 0.367990 0.098 Uiso 1 1 calc R U . . .
C5A C 0.3532(5) 0.4732(6) 0.3871(2) 0.079(3) Uani 1 1 d . . . . .
H5A H 0.311683 0.504363 0.375791 0.095 Uiso 1 1 calc R U . . .
C6A C 0.4328(5) 0.4963(5) 0.40818(19) 0.0564(19) Uani 1 1 d . . . . .
C7A C 0.4481(6) 0.5666(5) 0.4145(2) 0.070(2) Uani 1 1 d . . . . .
C8A C 0.3989(7) 0.6154(5) 0.3913(2) 0.093(3) Uani 1 1 d . . . . .
H8A H 0.353571 0.604219 0.370285 0.112 Uiso 1 1 calc R U . . .
C9A C 0.4199(9) 0.6812(6) 0.4008(3) 0.112(4) Uani 1 1 d . . . . .
H9A H 0.388615 0.715108 0.385694 0.135 Uiso 1 1 calc R U . . .
C10A C 0.4827(8) 0.6964(5) 0.4304(3) 0.105(4) Uani 1 1 d . . . . .
H10A H 0.496366 0.740646 0.436915 0.126 Uiso 1 1 calc R U . . .
C11A C 0.5270(6) 0.6472(4) 0.4510(2) 0.071(2) Uani 1 1 d . . . . .
H11A H 0.572275 0.658475 0.472027 0.085 Uiso 1 1 calc R U . . .
C12A C 0.8340(4) 0.4841(3) 0.45352(19) 0.0426(15) Uani 1 1 d . . . . .
C13A C 0.9257(5) 0.4862(4) 0.4638(2) 0.062(2) Uani 1 1 d . . . . .
H13A H 0.943715 0.486346 0.494047 0.074 Uiso 1 1 calc R U . . .
C14A C 0.9919(5) 0.4881(5) 0.4307(2) 0.069(2) Uani 1 1 d . . . . .
H14A H 1.054120 0.488658 0.438490 0.082 Uiso 1 1 calc R U . . .
C15A C 0.9658(5) 0.4891(4) 0.3865(2) 0.058(2) Uani 1 1 d . . . . .
H15A H 1.010335 0.491283 0.363817 0.069 Uiso 1 1 calc R U . . .
C16A C 0.8747(4) 0.4869(3) 0.37527(19) 0.0425(14) Uani 1 1 d . . . . .
H16A H 0.856925 0.486693 0.344970 0.051 Uiso 1 1 calc R U . . .
C17A C 0.8101(4) 0.4849(3) 0.40842(19) 0.0350(14) Uani 1 1 d . . . . .
C18A C 0.7797(5) 0.5483(3) 0.53587(18) 0.0465(15) Uani 1 1 d . . . . .
H18A H 0.843956 0.559331 0.528839 0.056 Uiso 1 1 calc R U . . .
C19A C 0.7832(5) 0.5119(3) 0.58090(19) 0.0522(18) Uani 1 1 d . . . . .
H19A H 0.822524 0.535771 0.601962 0.063 Uiso 1 1 calc R U . . .
H19B H 0.721810 0.508997 0.593851 0.063 Uiso 1 1 calc R U . . .
C20A C 0.8201(5) 0.4449(4) 0.5727(2) 0.0528(18) Uani 1 1 d . . . . .
H20A H 0.813705 0.417889 0.599776 0.063 Uiso 1 1 calc R U . . .
H20B H 0.885032 0.447532 0.564998 0.063 Uiso 1 1 calc R U . . .
C21A C 0.7668(5) 0.4144(3) 0.5343(2) 0.0481(16) Uani 1 1 d . . . . .
H21A H 0.706155 0.402127 0.546418 0.058 Uiso 1 1 calc R U . . .
C22A C 0.8065(6) 0.3529(4) 0.5134(2) 0.067(2) Uani 1 1 d . . . . .
H22A H 0.867344 0.363696 0.500868 0.080 Uiso 1 1 calc R U . . .
C23A C 0.7495(7) 0.3250(4) 0.4773(3) 0.086(3) Uani 1 1 d . . . . .
H23A H 0.691703 0.310305 0.489684 0.128 Uiso 1 1 calc R U . . .
H23B H 0.780836 0.287893 0.463713 0.128 Uiso 1 1 calc R U . . .
H23C H 0.738338 0.358484 0.454696 0.128 Uiso 1 1 calc R U . . .
C24A C 0.8187(8) 0.3007(4) 0.5505(3) 0.102(4) Uani 1 1 d . . . . .
H24A H 0.830387 0.322578 0.578885 0.153 Uiso 1 1 calc R U . . .
H24B H 0.869825 0.272329 0.543119 0.153 Uiso 1 1 calc R U . . .
H24C H 0.763529 0.274489 0.552911 0.153 Uiso 1 1 calc R U . . .
C25A C 0.7296(5) 0.6130(3) 0.5353(2) 0.0524(17) Uani 1 1 d . . . . .
H25A H 0.723741 0.626625 0.503564 0.063 Uiso 1 1 calc R U . . .
C26A C 0.7882(6) 0.6649(4) 0.5589(3) 0.072(2) Uani 1 1 d . . . . .
H26A H 0.791007 0.655089 0.590731 0.108 Uiso 1 1 calc R U . . .
H26B H 0.761303 0.708124 0.554560 0.108 Uiso 1 1 calc R U . . .
H26C H 0.849348 0.664334 0.546433 0.108 Uiso 1 1 calc R U . . .
C27A C 0.6322(5) 0.6091(3) 0.5549(2) 0.061(2) Uani 1 1 d . . . . .
H27A H 0.597748 0.575456 0.539163 0.092 Uiso 1 1 calc R U . . .
H27B H 0.602149 0.651371 0.551459 0.092 Uiso 1 1 calc R U . . .
H27C H 0.635604 0.597908 0.586532 0.092 Uiso 1 1 calc R U . . .
C28A C 0.6568(4) 0.5577(3) 0.36035(17) 0.0383(14) Uani 1 1 d . . . . .
H28A H 0.602632 0.576934 0.375300 0.046 Uiso 1 1 calc R U . . .
C29A C 0.6260(4) 0.5301(3) 0.31618(17) 0.0410(14) Uani 1 1 d . . . . .
H29A H 0.675484 0.534263 0.294224 0.049 Uiso 1 1 calc R U . . .
H29B H 0.573674 0.555509 0.305191 0.049 Uiso 1 1 calc R U . . .
C30A C 0.5991(4) 0.4578(3) 0.32061(18) 0.0435(15) Uani 1 1 d . . . . .
H30A H 0.540572 0.453535 0.336317 0.052 Uiso 1 1 calc R U . . .
H30B H 0.593695 0.437208 0.291007 0.052 Uiso 1 1 calc R U . . .
C31A C 0.6748(4) 0.4264(3) 0.34726(17) 0.0366(13) Uani 1 1 d . . . . .
H31A H 0.730007 0.430572 0.328313 0.044 Uiso 1 1 calc R U . . .
C32A C 0.6692(4) 0.3532(3) 0.3597(2) 0.0445(15) Uani 1 1 d . . . . .
H32A H 0.642568 0.349774 0.390171 0.053 Uiso 1 1 calc R U . . .
C33A C 0.6077(6) 0.3148(4) 0.3274(2) 0.066(2) Uani 1 1 d . . . . .
H33A H 0.546954 0.333892 0.327464 0.099 Uiso 1 1 calc R U . . .
H33B H 0.604199 0.269060 0.336817 0.099 Uiso 1 1 calc R U . . .
H33C H 0.632937 0.317017 0.297329 0.099 Uiso 1 1 calc R U . . .
C34A C 0.7645(5) 0.3227(4) 0.3609(3) 0.060(2) Uani 1 1 d . . . . .
H34A H 0.793672 0.328326 0.331966 0.090 Uiso 1 1 calc R U . . .
H34B H 0.759723 0.276021 0.367726 0.090 Uiso 1 1 calc R U . . .
H34C H 0.800779 0.344280 0.383857 0.090 Uiso 1 1 calc R U . . .
C35A C 0.7269(5) 0.6109(3) 0.3564(2) 0.0467(16) Uani 1 1 d . . . . .
H35A H 0.782685 0.591480 0.343067 0.056 Uiso 1 1 calc R U . . .
C36A C 0.6938(6) 0.6654(4) 0.3257(2) 0.063(2) Uani 1 1 d . . . . .
H36A H 0.642048 0.687515 0.339365 0.095 Uiso 1 1 calc R U . . .
H36B H 0.675416 0.646678 0.297146 0.095 Uiso 1 1 calc R U . . .
H36C H 0.742661 0.696913 0.320906 0.095 Uiso 1 1 calc R U . . .
C37A C 0.7519(6) 0.6398(3) 0.4011(2) 0.058(2) Uani 1 1 d . . . . .
H37A H 0.700752 0.665051 0.412635 0.087 Uiso 1 1 calc R U . . .
H37B H 0.804433 0.668495 0.397635 0.087 Uiso 1 1 calc R U . . .
H37C H 0.766601 0.604589 0.421877 0.087 Uiso 1 1 calc R U . . .
Au1B Au 0.11698(2) 0.54788(2) 0.62732(2) 0.02854(6) Uani 0.9592(5) 1 d . . P B
1
Au1D Au 0.1205(4) 0.5037(3) 0.62852(15) 0.02854(6) Uani 0.0408(5) 1 d . . P B 2
Cl1B Cl 0.03910(11) 0.57514(11) 0.56165(5) 0.0582(5) Uani 1 1 d . . . . .
P1B P 0.25093(11) 0.53045(8) 0.58685(4) 0.0342(3) Uani 1 1 d . . . . .
P2B P 0.1991(1) 0.52519(8) 0.69053(4) 0.0295(3) Uani 1 1 d . . . . .
N1B N -0.0050(4) 0.4482(3) 0.64331(18) 0.0483(13) Uani 1 1 d . . . . .
C1B C 0.0057(4) 0.5843(3) 0.66135(17) 0.0337(13) Uani 1 1 d . . . . .
C2B C 0.0009(4) 0.6523(3) 0.66511(19) 0.0418(15) Uani 1 1 d . . . . .
H2B H 0.049027 0.678085 0.653789 0.050 Uiso 1 1 calc R U . . .
C3B C -0.0729(5) 0.6833(4) 0.6851(2) 0.0527(17) Uani 1 1 d . . . . .
H3B H -0.075202 0.729409 0.688304 0.063 Uiso 1 1 calc R U . . .
C4B C -0.1427(5) 0.6437(4) 0.7001(2) 0.0547(18) Uani 1 1 d . . . . .
H4B H -0.193667 0.663654 0.713673 0.066 Uiso 1 1 calc R U . . .
C5B C -0.1415(4) 0.5776(4) 0.69613(18) 0.0474(16) Uani 1 1 d . . . . .
H5B H -0.191165 0.552730 0.706759 0.057 Uiso 1 1 calc R U . . .
C6B C -0.0663(4) 0.5452(4) 0.67619(17) 0.0403(14) Uani 1 1 d . . . . .
C7B C -0.0647(4) 0.4743(4) 0.67143(18) 0.0436(14) Uani 1 1 d . . . . .
C8B C -0.1256(6) 0.4351(4) 0.6950(2) 0.064(2) Uani 1 1 d . . . . .
H8B H -0.168570 0.454442 0.714373 0.077 Uiso 1 1 calc R U . . .
C9B C -0.1229(8) 0.3695(5) 0.6899(3) 0.087(3) Uani 1 1 d . . . . .
H9B H -0.164718 0.342993 0.705587 0.104 Uiso 1 1 calc R U . . .
C10B C -0.0594(6) 0.3403(4) 0.6617(3) 0.071(2) Uani 1 1 d . . . . .
H10B H -0.054450 0.294325 0.658392 0.085 Uiso 1 1 calc R U . . .
C11B C -0.0043(5) 0.3837(4) 0.6392(3) 0.063(2) Uani 1 1 d . . . . .
H11B H 0.037887 0.365590 0.618837 0.076 Uiso 1 1 calc R U . . .
C12B C 0.3383(4) 0.5185(3) 0.62842(18) 0.0355(12) Uani 1 1 d . . . . .
C13B C 0.4298(4) 0.5129(3) 0.61551(19) 0.0461(17) Uani 1 1 d . . . . .
H13B H 0.445518 0.514040 0.584937 0.055 Uiso 1 1 calc R U . . .
C14B C 0.4963(4) 0.5059(4) 0.6472(2) 0.0497(17) Uani 1 1 d . . . . .
H14B H 0.557553 0.501380 0.638212 0.060 Uiso 1 1 calc R U . . .
C15B C 0.4749(4) 0.5053(3) 0.6923(2) 0.0475(16) Uani 1 1 d . . . . .
H15B H 0.521195 0.501178 0.713952 0.057 Uiso 1 1 calc R U . . .
C16B C 0.3846(4) 0.5107(3) 0.70517(17) 0.0367(12) Uani 1 1 d . . . . .
H16B H 0.369615 0.509995 0.735833 0.044 Uiso 1 1 calc R U . . .
C17B C 0.3151(4) 0.5173(3) 0.67327(18) 0.0350(13) Uani 1 1 d . . . . .
C18B C 0.1911(4) 0.5815(3) 0.73764(17) 0.0371(14) Uani 1 1 d . . . . .
H18B H 0.243053 0.569693 0.757304 0.044 Uiso 1 1 calc R U . . .
C19B C 0.1088(4) 0.5559(3) 0.76129(17) 0.0437(14) Uani 1 1 d . . . . .
H19C H 0.053525 0.567202 0.744441 0.052 Uiso 1 1 calc R U . . .
H19D H 0.104312 0.575590 0.791236 0.052 Uiso 1 1 calc R U . . .
C20B C 0.1182(5) 0.4827(3) 0.76491(17) 0.0478(15) Uani 1 1 d . . . . .
H20C H 0.058392 0.463270 0.771376 0.057 Uiso 1 1 calc R U . . .
H20D H 0.159265 0.471976 0.789813 0.057 Uiso 1 1 calc R U . . .
C21B C 0.1566(4) 0.4528(3) 0.72081(18) 0.0392(13) Uani 1 1 d . . . . .
H21B H 0.103617 0.435934 0.703667 0.047 Uiso 1 1 calc R U . . .
C22B C 0.2212(5) 0.3950(3) 0.7274(2) 0.0516(17) Uani 1 1 d . . . . .
H22B H 0.275602 0.411298 0.743684 0.062 Uiso 1 1 calc R U . . .
C23B C 0.1746(6) 0.3435(4) 0.7568(3) 0.074(2) Uani 1 1 d . . . . .
H23D H 0.156729 0.363455 0.785023 0.111 Uiso 1 1 calc R U . . .
H23E H 0.216507 0.307435 0.762466 0.111 Uiso 1 1 calc R U . . .
H23F H 0.120749 0.326829 0.741551 0.111 Uiso 1 1 calc R U . . .
C24B C 0.2538(7) 0.3625(4) 0.6843(3) 0.079(3) Uani 1 1 d . . . . .
H24D H 0.201906 0.343942 0.668448 0.119 Uiso 1 1 calc R U . . .
H24E H 0.296869 0.327737 0.691395 0.119 Uiso 1 1 calc R U . . .
H24F H 0.283339 0.395172 0.665428 0.119 Uiso 1 1 calc R U . . .
C25B C 0.2018(5) 0.6546(3) 0.72924(19) 0.0417(15) Uani 1 1 d . . . . .
H25B H 0.178770 0.663727 0.698652 0.050 Uiso 1 1 calc R U . . .
C26B C 0.1454(6) 0.6951(4) 0.7616(2) 0.071(3) Uani 1 1 d . . . . .
H26D H 0.167939 0.688517 0.791873 0.107 Uiso 1 1 calc R U . . .
H26E H 0.082044 0.681278 0.759946 0.107 Uiso 1 1 calc R U . . .
H26F H 0.149997 0.741369 0.753762 0.107 Uiso 1 1 calc R U . . .
C27B C 0.2973(5) 0.6739(4) 0.7304(2) 0.067(2) Uani 1 1 d . . . . .
H27D H 0.302547 0.720474 0.723462 0.100 Uiso 1 1 calc R U . . .
H27E H 0.331230 0.648462 0.708475 0.100 Uiso 1 1 calc R U . . .
H27F H 0.321922 0.665665 0.760097 0.100 Uiso 1 1 calc R U . . .
C28B C 0.2659(4) 0.4700(3) 0.5421(2) 0.0477(15) Uani 1 1 d D . . . .
H28B H 0.330346 0.455885 0.545020 0.057 Uiso 1 1 calc R U . C 1
C29B C 0.2648(5) 0.5128(4) 0.4995(2) 0.0583(19) Uani 1 1 d . . . . .
H29C H 0.293970 0.489261 0.474640 0.070 Uiso 1 1 calc R U . . .
H29D H 0.201787 0.523135 0.490956 0.070 Uiso 1 1 calc R U . . .
C30B C 0.3164(5) 0.5752(4) 0.5099(2) 0.058(2) Uani 1 1 d . . . . .
H30C H 0.381506 0.565552 0.513926 0.070 Uiso 1 1 calc R U . . .
H30D H 0.309920 0.606740 0.485212 0.070 Uiso 1 1 calc R U . . .
C31B C 0.2777(4) 0.6032(3) 0.55181(18) 0.0406(14) Uani 1 1 d D . . . .
H31B H 0.218707 0.623933 0.543737 0.049 Uiso 1 1 calc R U . . .
C32B C 0.3347(5) 0.6558(3) 0.5746(2) 0.0468(16) Uani 1 1 d D . . . .
H32B H 0.391812 0.635296 0.585556 0.056 Uiso 1 1 calc R U . . .
C33B C 0.2843(5) 0.6830(3) 0.6135(2) 0.0564(19) Uani 1 1 d . . . . .
H33D H 0.269260 0.647566 0.634052 0.085 Uiso 1 1 calc R U . . .
H33E H 0.322042 0.715282 0.628674 0.085 Uiso 1 1 calc R U . . .
H33F H 0.228507 0.703851 0.603130 0.085 Uiso 1 1 calc R U . . .
C34B C 0.3593(5) 0.7098(4) 0.5417(2) 0.064(2) Uani 1 1 d . . . . .
H34D H 0.392178 0.690931 0.516535 0.096 Uiso 1 1 calc R U . . .
H34E H 0.303922 0.730827 0.530951 0.096 Uiso 1 1 calc R U . . .
H34F H 0.397458 0.742259 0.556495 0.096 Uiso 1 1 calc R U . . .
C35B C 0.2126(13) 0.4064(7) 0.5427(15) 0.067(4) Uani 0.537(12) 1 d D U P D 1
H35D H 0.211358 0.383112 0.571873 0.081 Uiso 0.537(12) 1 calc R U P D 1
C36B C 0.2372(13) 0.3655(8) 0.5037(6) 0.110(6) Uani 0.537(12) 1 d D U P D 1
H36G H 0.296962 0.346027 0.508537 0.165 Uiso 0.537(12) 1 calc R U P D 1
H36H H 0.192280 0.330767 0.500026 0.165 Uiso 0.537(12) 1 calc R U P D 1
H36I H 0.238639 0.392678 0.476987 0.165 Uiso 0.537(12) 1 calc R U P D 1
C37B C 0.1234(13) 0.4274(11) 0.5255(8) 0.102(4) Uani 0.537(12) 1 d D U P D 1
H37G H 0.094299 0.456236 0.547241 0.153 Uiso 0.537(12) 1 calc R U P D 1
H37H H 0.131585 0.450946 0.497497 0.153 Uiso 0.537(12) 1 calc R U P D 1
H37I H 0.085226 0.389036 0.520536 0.153 Uiso 0.537(12) 1 calc R U P D 1
C35D C 0.1994(11) 0.4136(7) 0.5410(16) 0.056(3) Uani 0.463(12) 1 d D U P D 2
H35B H 0.221301 0.387962 0.514842 0.068 Uiso 0.463(12) 1 calc R U P D 2
C36D C 0.2228(13) 0.3703(8) 0.5783(5) 0.065(4) Uani 0.463(12) 1 d D U P D 2
H36D H 0.288039 0.372390 0.583775 0.097 Uiso 0.463(12) 1 calc R U P D 2
H36E H 0.190235 0.384375 0.604978 0.097 Uiso 0.463(12) 1 calc R U P D 2
H36F H 0.205655 0.325376 0.570999 0.097 Uiso 0.463(12) 1 calc R U P D 2
C37D C 0.1000(14) 0.4026(12) 0.539(1) 0.102(4) Uani 0.463(12) 1 d D U P D 2
H37D H 0.074072 0.428875 0.514977 0.153 Uiso 0.463(12) 1 calc R U P D 2
H37E H 0.088031 0.356266 0.533308 0.153 Uiso 0.463(12) 1 calc R U P D 2
H37F H 0.072611 0.415264 0.567287 0.153 Uiso 0.463(12) 1 calc R U P D 2
Cl1 Cl 1.16077(12) 0.49235(13) 0.32071(5) 0.0701(7) Uani 1 1 d . . . . .
Cl2 Cl 0.82725(11) 0.48493(13) 0.25730(5) 0.0691(7) Uani 1 1 d . . . . .
N1S N 0.9444(5) 0.6962(4) 0.3420(3) 0.099(3) Uani 1 1 d . . . . .
C1S C 0.9671(5) 0.6604(4) 0.3151(3) 0.069(2) Uani 1 1 d . . . . .
C2S C 0.9962(5) 0.6150(5) 0.2836(3) 0.080(3) Uani 1 1 d . . . . .
H2S1 H 1.044526 0.588169 0.296238 0.119 Uiso 1 1 calc R U . . .
H2S2 H 1.018993 0.638060 0.257333 0.119 Uiso 1 1 calc R U . . .
H2S3 H 0.945400 0.587013 0.274963 0.119 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
Au1A C1A 2.067(6) . ?
Au1A P2A 2.2904(13) . ?
Au1A Cl1A 2.3560(13) . ?
Au1A P1A 2.3643(16) . ?
Au1C N1 2.069(18) . ?
Au1C P1A 2.363(17) . ?
Au1C P2A 2.427(14) . ?
Au1C C1A 2.59(2) . ?
Au1C Cl1A 2.737(16) . ?
P1A C12A 1.797(6) . ?
P1A C18A 1.851(6) . ?
P1A C21A 1.854(6) . ?
P2A C17A 1.823(6) . ?
P2A C31A 1.825(6) . ?
P2A C28A 1.864(6) . ?
N1 C7A 1.336(11) . ?
N1 C11A 1.338(10) . ?
C1A C6A 1.396(9) . ?
C1A C2A 1.401(10) . ?
C2A C3A 1.392(9) . ?
C2A H2A 0.9500 . ?
C3A C4A 1.347(12) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.375(14) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.419(11) . ?
C5A H5A 0.9500 . ?
C6A C7A 1.470(13) . ?
C7A C8A 1.421(10) . ?
C8A C9A 1.414(16) . ?
C8A H8A 0.9500 . ?
C9A C10A 1.324(16) . ?
C9A H9A 0.9500 . ?
C10A C11A 1.354(11) . ?
C10A H10A 0.9500 . ?
C11A H11A 0.9500 . ?
C12A C13A 1.392(8) . ?
C12A C17A 1.404(8) . ?
C13A C14A 1.396(10) . ?
C13A H13A 0.9500 . ?
C14A C15A 1.388(9) . ?
C14A H14A 0.9500 . ?
C15A C16A 1.390(8) . ?
C15A H15A 0.9500 . ?
C16A C17A 1.383(8) . ?
C16A H16A 0.9500 . ?
C18A C25A 1.519(10) . ?
C18A C19A 1.548(8) . ?
C18A H18A 1.0000 . ?
C19A C20A 1.497(10) . ?
C19A H19A 0.9900 . ?
C19A H19B 0.9900 . ?
C20A C21A 1.534(8) . ?
C20A H20A 0.9900 . ?
C20A H20B 0.9900 . ?
C21A C22A 1.527(10) . ?
C21A H21A 1.0000 . ?
C22A C23A 1.491(10) . ?
C22A C24A 1.557(10) . ?
C22A H22A 1.0000 . ?
C23A H23A 0.9800 . ?
C23A H23B 0.9800 . ?
C23A H23C 0.9800 . ?
C24A H24A 0.9800 . ?
C24A H24B 0.9800 . ?
C24A H24C 0.9800 . ?
C25A C26A 1.545(10) . ?
C25A C27A 1.559(10) . ?
C25A H25A 1.0000 . ?
C26A H26A 0.9800 . ?
C26A H26B 0.9800 . ?
C26A H26C 0.9800 . ?
C27A H27A 0.9800 . ?
C27A H27B 0.9800 . ?
C27A H27C 0.9800 . ?
C28A C35A 1.509(9) . ?
C28A C29A 1.516(8) . ?
C28A H28A 1.0000 . ?
C29A C30A 1.539(9) . ?
C29A H29A 0.9900 . ?
C29A H29B 0.9900 . ?
C30A C31A 1.521(8) . ?
C30A H30A 0.9900 . ?
C30A H30B 0.9900 . ?
C31A C32A 1.550(9) . ?
C31A H31A 1.0000 . ?
C32A C34A 1.543(9) . ?
C32A C33A 1.549(8) . ?
C32A H32A 1.0000 . ?
C33A H33A 0.9800 . ?
C33A H33B 0.9800 . ?
C33A H33C 0.9800 . ?
C34A H34A 0.9800 . ?
C34A H34B 0.9800 . ?
C34A H34C 0.9800 . ?
C35A C37A 1.516(9) . ?
C35A C36A 1.531(9) . ?
C35A H35A 1.0000 . ?
C36A H36A 0.9800 . ?
C36A H36B 0.9800 . ?
C36A H36C 0.9800 . ?
C37A H37A 0.9800 . ?
C37A H37B 0.9800 . ?
C37A H37C 0.9800 . ?
Au1B C1B 2.077(6) . ?
Au1B P2B 2.3059(13) . ?
Au1B P1B 2.3535(15) . ?
Au1B Cl1B 2.3563(15) . ?
Au1D N1B 2.223(8) . ?
Au1D P2B 2.243(5) . ?
Au1D P1B 2.365(6) . ?
Au1D C1B 2.567(8) . ?
Au1D Cl1B 2.766(6) . ?
P1B C12B 1.816(6) . ?
P1B C28B 1.844(6) . ?
P1B C31B 1.869(6) . ?
P2B C17B 1.800(6) . ?
P2B C18B 1.833(6) . ?
P2B C21B 1.851(6) . ?
N1B C11B 1.329(9) . ?
N1B C7B 1.335(8) . ?
C1B C2B 1.401(9) . ?
C1B C6B 1.406(8) . ?
C2B C3B 1.400(9) . ?
C2B H2B 0.9500 . ?
C3B C4B 1.389(10) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.359(10) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.428(9) . ?
C5B H5B 0.9500 . ?
C6B C7B 1.459(10) . ?
C7B C8B 1.400(9) . ?
C8B C9B 1.353(12) . ?
C8B H8B 0.9500 . ?
C9B C10B 1.401(13) . ?
C9B H9B 0.9500 . ?
C10B C11B 1.383(11) . ?
C10B H10B 0.9500 . ?
C11B H11B 0.9500 . ?
C12B C17B 1.394(7) . ?
C12B C13B 1.413(8) . ?
C13B C14B 1.378(8) . ?
C13B H13B 0.9500 . ?
C14B C15B 1.394(8) . ?
C14B H14B 0.9500 . ?
C15B C16B 1.395(8) . ?
C15B H15B 0.9500 . ?
C16B C17B 1.414(8) . ?
C16B H16B 0.9500 . ?
C18B C19B 1.505(8) . ?
C18B C25B 1.527(9) . ?
C18B H18B 1.0000 . ?
C19B C20B 1.510(9) . ?
C19B H19C 0.9900 . ?
C19B H19D 0.9900 . ?
C20B C21B 1.570(8) . ?
C20B H20C 0.9900 . ?
C20B H20D 0.9900 . ?
C21B C22B 1.534(9) . ?
C21B H21B 1.0000 . ?
C22B C24B 1.537(11) . ?
C22B C23B 1.541(10) . ?
C22B H22B 1.0000 . ?
C23B H23D 0.9800 . ?
C23B H23E 0.9800 . ?
C23B H23F 0.9800 . ?
C24B H24D 0.9800 . ?
C24B H24E 0.9800 . ?
C24B H24F 0.9800 . ?
C25B C27B 1.467(10) . ?
C25B C26B 1.528(9) . ?
C25B H25B 1.0000 . ?
C26B H26D 0.9800 . ?
C26B H26E 0.9800 . ?
C26B H26F 0.9800 . ?
C27B H27D 0.9800 . ?
C27B H27E 0.9800 . ?
C27B H27F 0.9800 . ?
C28B C35D 1.518(11) . ?
C28B C35B 1.522(11) . ?
C28B C29B 1.554(9) . ?
C28B H28B 1.0000 . ?
C29B C30B 1.522(11) . ?
C29B H29C 0.9900 . ?
C29B H29D 0.9900 . ?
C30B C31B 1.501(8) . ?
C30B H30C 0.9900 . ?
C30B H30D 0.9900 . ?
C31B C32B 1.530(8) . ?
C31B H31B 1.0000 . ?
C32B C33B 1.496(9) . ?
C32B C34B 1.528(8) . ?
C32B H32B 1.0000 . ?
C33B H33D 0.9800 . ?
C33B H33E 0.9800 . ?
C33B H33F 0.9800 . ?
C34B H34D 0.9800 . ?
C34B H34E 0.9800 . ?
C34B H34F 0.9800 . ?
C35B C37B 1.482(17) . ?
C35B C36B 1.49(4) . ?
C35B H35D 1.0000 . ?
C36B H36G 0.9800 . ?
C36B H36H 0.9800 . ?
C36B H36I 0.9800 . ?
C37B H37G 0.9800 . ?
C37B H37H 0.9800 . ?
C37B H37I 0.9800 . ?
C35D C36D 1.47(4) . ?
C35D C37D 1.488(17) . ?
C35D H35B 1.0000 . ?
C36D H36D 0.9800 . ?
C36D H36E 0.9800 . ?
C36D H36F 0.9800 . ?
C37D H37D 0.9800 . ?
C37D H37E 0.9800 . ?
C37D H37F 0.9800 . ?
N1S C1S 1.143(10) . ?
C1S C2S 1.398(11) . ?
C2S H2S1 0.9800 . ?
C2S H2S2 0.9800 . ?
C2S H2S3 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
C1A Au1A P2A 92.66(15) . . ?
C1A Au1A Cl1A 87.11(15) . . ?
P2A Au1A Cl1A 172.41(6) . . ?
C1A Au1A P1A 171.9(2) . . ?
P2A Au1A P1A 87.48(5) . . ?
Cl1A Au1A P1A 91.67(5) . . ?
N1 Au1C P1A 157.9(9) . . ?
N1 Au1C P2A 110.0(6) . . ?
P1A Au1C P2A 84.4(5) . . ?
N1 Au1C C1A 74.4(6) . . ?
P1A Au1C C1A 126.3(8) . . ?
P2A Au1C C1A 77.9(5) . . ?
N1 Au1C Cl1A 99.9(6) . . ?
P1A Au1C Cl1A 82.9(4) . . ?
P2A Au1C Cl1A 127.6(7) . . ?
C1A Au1C Cl1A 69.9(5) . . ?
C12A P1A C18A 106.4(3) . . ?
C12A P1A C21A 110.1(3) . . ?
C18A P1A C21A 95.8(3) . . ?
C12A P1A Au1C 105.0(4) . . ?
C18A P1A Au1C 106.0(5) . . ?
C21A P1A Au1C 131.0(5) . . ?
C12A P1A Au1A 105.1(2) . . ?
C18A P1A Au1A 127.5(2) . . ?
C21A P1A Au1A 111.3(2) . . ?
C17A P2A C31A 109.2(3) . . ?
C17A P2A C28A 113.1(3) . . ?
C31A P2A C28A 95.5(3) . . ?
C17A P2A Au1A 106.60(19) . . ?
C31A P2A Au1A 119.8(2) . . ?
C28A P2A Au1A 112.57(19) . . ?
C17A P2A Au1C 102.9(5) . . ?
C31A P2A Au1C 139.9(5) . . ?
C28A P2A Au1C 93.5(4) . . ?
C7A N1 C11A 118.8(7) . . ?
C7A N1 Au1C 120.9(7) . . ?
C11A N1 Au1C 116.0(8) . . ?
C6A C1A C2A 120.4(7) . . ?
C6A C1A Au1A 122.0(6) . . ?
C2A C1A Au1A 117.4(5) . . ?
C6A C1A Au1C 100.8(7) . . ?
C2A C1A Au1C 138.5(6) . . ?
C3A C2A C1A 119.6(7) . . ?
C3A C2A H2A 120.2 . . ?
C1A C2A H2A 120.2 . . ?
C4A C3A C2A 122.(1) . . ?
C4A C3A H3A 119.0 . . ?
C2A C3A H3A 119.0 . . ?
C3A C4A C5A 118.2(8) . . ?
C3A C4A H4A 120.9 . . ?
C5A C4A H4A 120.9 . . ?
C4A C5A C6A 123.5(8) . . ?
C4A C5A H5A 118.2 . . ?
C6A C5A H5A 118.2 . . ?
C1A C6A C5A 116.2(9) . . ?
C1A C6A C7A 122.9(7) . . ?
C5A C6A C7A 120.8(8) . . ?
N1 C7A C8A 120.(1) . . ?
N1 C7A C6A 116.8(7) . . ?
C8A C7A C6A 123.2(9) . . ?
C9A C8A C7A 117.4(10) . . ?
C9A C8A H8A 121.3 . . ?
C7A C8A H8A 121.3 . . ?
C10A C9A C8A 120.9(9) . . ?
C10A C9A H9A 119.5 . . ?
C8A C9A H9A 119.5 . . ?
C9A C10A C11A 118.3(11) . . ?
C9A C10A H10A 120.8 . . ?
C11A C10A H10A 120.8 . . ?
N1 C11A C10A 124.5(10) . . ?
N1 C11A H11A 117.7 . . ?
C10A C11A H11A 117.7 . . ?
C13A C12A C17A 117.4(6) . . ?
C13A C12A P1A 122.0(5) . . ?
C17A C12A P1A 120.5(5) . . ?
C12A C13A C14A 121.7(6) . . ?
C12A C13A H13A 119.1 . . ?
C14A C13A H13A 119.1 . . ?
C15A C14A C13A 119.3(7) . . ?
C15A C14A H14A 120.3 . . ?
C13A C14A H14A 120.3 . . ?
C14A C15A C16A 120.2(7) . . ?
C14A C15A H15A 119.9 . . ?
C16A C15A H15A 119.9 . . ?
C17A C16A C15A 119.7(6) . . ?
C17A C16A H16A 120.2 . . ?
C15A C16A H16A 120.2 . . ?
C16A C17A C12A 121.7(5) . . ?
C16A C17A P2A 118.7(4) . . ?
C12A C17A P2A 119.6(4) . . ?
C25A C18A C19A 116.5(5) . . ?
C25A C18A P1A 119.6(5) . . ?
C19A C18A P1A 103.7(5) . . ?
C25A C18A H18A 105.2 . . ?
C19A C18A H18A 105.2 . . ?
P1A C18A H18A 105.2 . . ?
C20A C19A C18A 108.0(5) . . ?
C20A C19A H19A 110.1 . . ?
C18A C19A H19A 110.1 . . ?
C20A C19A H19B 110.1 . . ?
C18A C19A H19B 110.1 . . ?
H19A C19A H19B 108.4 . . ?
C19A C20A C21A 108.1(5) . . ?
C19A C20A H20A 110.1 . . ?
C21A C20A H20A 110.1 . . ?
C19A C20A H20B 110.1 . . ?
C21A C20A H20B 110.1 . . ?
H20A C20A H20B 108.4 . . ?
C22A C21A C20A 116.8(6) . . ?
C22A C21A P1A 115.5(5) . . ?
C20A C21A P1A 103.6(4) . . ?
C22A C21A H21A 106.8 . . ?
C20A C21A H21A 106.8 . . ?
P1A C21A H21A 106.8 . . ?
C23A C22A C21A 113.5(7) . . ?
C23A C22A C24A 109.1(7) . . ?
C21A C22A C24A 108.3(6) . . ?
C23A C22A H22A 108.6 . . ?
C21A C22A H22A 108.6 . . ?
C24A C22A H22A 108.6 . . ?
C22A C23A H23A 109.5 . . ?
C22A C23A H23B 109.5 . . ?
H23A C23A H23B 109.5 . . ?
C22A C23A H23C 109.5 . . ?
H23A C23A H23C 109.5 . . ?
H23B C23A H23C 109.5 . . ?
C22A C24A H24A 109.5 . . ?
C22A C24A H24B 109.5 . . ?
H24A C24A H24B 109.5 . . ?
C22A C24A H24C 109.5 . . ?
H24A C24A H24C 109.5 . . ?
H24B C24A H24C 109.5 . . ?
C18A C25A C26A 108.8(6) . . ?
C18A C25A C27A 113.6(6) . . ?
C26A C25A C27A 112.3(6) . . ?
C18A C25A H25A 107.3 . . ?
C26A C25A H25A 107.3 . . ?
C27A C25A H25A 107.3 . . ?
C25A C26A H26A 109.5 . . ?
C25A C26A H26B 109.5 . . ?
H26A C26A H26B 109.5 . . ?
C25A C26A H26C 109.5 . . ?
H26A C26A H26C 109.5 . . ?
H26B C26A H26C 109.5 . . ?
C25A C27A H27A 109.5 . . ?
C25A C27A H27B 109.5 . . ?
H27A C27A H27B 109.5 . . ?
C25A C27A H27C 109.5 . . ?
H27A C27A H27C 109.5 . . ?
H27B C27A H27C 109.5 . . ?
C35A C28A C29A 114.0(5) . . ?
C35A C28A P2A 115.9(4) . . ?
C29A C28A P2A 103.8(4) . . ?
C35A C28A H28A 107.5 . . ?
C29A C28A H28A 107.5 . . ?
P2A C28A H28A 107.5 . . ?
C28A C29A C30A 111.1(5) . . ?
C28A C29A H29A 109.4 . . ?
C30A C29A H29A 109.4 . . ?
C28A C29A H29B 109.4 . . ?
C30A C29A H29B 109.4 . . ?
H29A C29A H29B 108.0 . . ?
C31A C30A C29A 105.2(5) . . ?
C31A C30A H30A 110.7 . . ?
C29A C30A H30A 110.7 . . ?
C31A C30A H30B 110.7 . . ?
C29A C30A H30B 110.7 . . ?
H30A C30A H30B 108.8 . . ?
C30A C31A C32A 119.9(5) . . ?
C30A C31A P2A 102.6(4) . . ?
C32A C31A P2A 117.0(4) . . ?
C30A C31A H31A 105.3 . . ?
C32A C31A H31A 105.3 . . ?
P2A C31A H31A 105.3 . . ?
C34A C32A C33A 110.2(6) . . ?
C34A C32A C31A 110.4(5) . . ?
C33A C32A C31A 111.8(5) . . ?
C34A C32A H32A 108.1 . . ?
C33A C32A H32A 108.1 . . ?
C31A C32A H32A 108.1 . . ?
C32A C33A H33A 109.5 . . ?
C32A C33A H33B 109.5 . . ?
H33A C33A H33B 109.5 . . ?
C32A C33A H33C 109.5 . . ?
H33A C33A H33C 109.5 . . ?
H33B C33A H33C 109.5 . . ?
C32A C34A H34A 109.5 . . ?
C32A C34A H34B 109.5 . . ?
H34A C34A H34B 109.5 . . ?
C32A C34A H34C 109.5 . . ?
H34A C34A H34C 109.5 . . ?
H34B C34A H34C 109.5 . . ?
C28A C35A C37A 112.3(5) . . ?
C28A C35A C36A 110.8(6) . . ?
C37A C35A C36A 109.2(6) . . ?
C28A C35A H35A 108.1 . . ?
C37A C35A H35A 108.1 . . ?
C36A C35A H35A 108.1 . . ?
C35A C36A H36A 109.5 . . ?
C35A C36A H36B 109.5 . . ?
H36A C36A H36B 109.5 . . ?
C35A C36A H36C 109.5 . . ?
H36A C36A H36C 109.5 . . ?
H36B C36A H36C 109.5 . . ?
C35A C37A H37A 109.5 . . ?
C35A C37A H37B 109.5 . . ?
H37A C37A H37B 109.5 . . ?
C35A C37A H37C 109.5 . . ?
H37A C37A H37C 109.5 . . ?
H37B C37A H37C 109.5 . . ?
C1B Au1B P2B 94.72(15) . . ?
C1B Au1B P1B 167.70(18) . . ?
P2B Au1B P1B 87.34(5) . . ?
C1B Au1B Cl1B 86.67(15) . . ?
P2B Au1B Cl1B 176.93(6) . . ?
P1B Au1B Cl1B 90.73(5) . . ?
N1B Au1D P2B 111.5(2) . . ?
N1B Au1D P1B 155.0(3) . . ?
P2B Au1D P1B 88.5(2) . . ?
N1B Au1D C1B 72.5(3) . . ?
P2B Au1D C1B 84.0(2) . . ?
P1B Au1D C1B 126.5(3) . . ?
N1B Au1D Cl1B 93.0(2) . . ?
P2B Au1D Cl1B 136.7(3) . . ?
P1B Au1D Cl1B 81.15(16) . . ?
C1B Au1D Cl1B 69.64(19) . . ?
C12B P1B C28B 109.1(3) . . ?
C12B P1B C31B 110.2(3) . . ?
C28B P1B C31B 95.6(3) . . ?
C12B P1B Au1B 105.21(18) . . ?
C28B P1B Au1B 125.6(2) . . ?
C31B P1B Au1B 110.5(2) . . ?
C12B P1B Au1D 100.6(2) . . ?
C28B P1B Au1D 109.3(3) . . ?
C31B P1B Au1D 131.1(3) . . ?
C17B P2B C18B 110.0(3) . . ?
C17B P2B C21B 113.2(3) . . ?
C18B P2B C21B 95.8(3) . . ?
C17B P2B Au1D 103.6(2) . . ?
C18B P2B Au1D 137.3(3) . . ?
C21B P2B Au1D 94.4(2) . . ?
C17B P2B Au1B 106.36(19) . . ?
C18B P2B Au1B 118.6(2) . . ?
C21B P2B Au1B 112.92(19) . . ?
C11B N1B C7B 117.6(7) . . ?
C11B N1B Au1D 119.0(5) . . ?
C7B N1B Au1D 118.3(5) . . ?
C2B C1B C6B 120.2(6) . . ?
C2B C1B Au1B 115.9(4) . . ?
C6B C1B Au1B 123.6(5) . . ?
C2B C1B Au1D 134.8(5) . . ?
C6B C1B Au1D 105.0(5) . . ?
C3B C2B C1B 121.8(7) . . ?
C3B C2B H2B 119.1 . . ?
C1B C2B H2B 119.1 . . ?
C4B C3B C2B 117.0(7) . . ?
C4B C3B H3B 121.5 . . ?
C2B C3B H3B 121.5 . . ?
C5B C4B C3B 122.9(6) . . ?
C5B C4B H4B 118.5 . . ?
C3B C4B H4B 118.5 . . ?
C4B C5B C6B 120.7(7) . . ?
C4B C5B H5B 119.6 . . ?
C6B C5B H5B 119.6 . . ?
C1B C6B C5B 117.3(6) . . ?
C1B C6B C7B 121.5(6) . . ?
C5B C6B C7B 121.2(6) . . ?
N1B C7B C8B 121.1(7) . . ?
N1B C7B C6B 118.2(6) . . ?
C8B C7B C6B 120.7(7) . . ?
C9B C8B C7B 119.6(9) . . ?
C9B C8B H8B 120.2 . . ?
C7B C8B H8B 120.2 . . ?
C8B C9B C10B 120.9(9) . . ?
C8B C9B H9B 119.6 . . ?
C10B C9B H9B 119.6 . . ?
C11B C10B C9B 114.7(8) . . ?
C11B C10B H10B 122.7 . . ?
C9B C10B H10B 122.7 . . ?
N1B C11B C10B 126.1(8) . . ?
N1B C11B H11B 116.9 . . ?
C10B C11B H11B 116.9 . . ?
C17B C12B C13B 120.1(5) . . ?
C17B C12B P1B 119.7(4) . . ?
C13B C12B P1B 120.2(4) . . ?
C14B C13B C12B 120.1(5) . . ?
C14B C13B H13B 119.9 . . ?
C12B C13B H13B 119.9 . . ?
C13B C14B C15B 120.9(6) . . ?
C13B C14B H14B 119.6 . . ?
C15B C14B H14B 119.6 . . ?
C14B C15B C16B 119.2(6) . . ?
C14B C15B H15B 120.4 . . ?
C16B C15B H15B 120.4 . . ?
C15B C16B C17B 121.0(5) . . ?
C15B C16B H16B 119.5 . . ?
C17B C16B H16B 119.5 . . ?
C12B C17B C16B 118.8(5) . . ?
C12B C17B P2B 120.9(4) . . ?
C16B C17B P2B 120.4(4) . . ?
C19B C18B C25B 120.3(5) . . ?
C19B C18B P2B 101.5(4) . . ?
C25B C18B P2B 118.9(4) . . ?
C19B C18B H18B 104.9 . . ?
C25B C18B H18B 104.9 . . ?
P2B C18B H18B 104.9 . . ?
C18B C19B C20B 107.8(5) . . ?
C18B C19B H19C 110.1 . . ?
C20B C19B H19C 110.1 . . ?
C18B C19B H19D 110.1 . . ?
C20B C19B H19D 110.1 . . ?
H19C C19B H19D 108.5 . . ?
C19B C20B C21B 111.1(5) . . ?
C19B C20B H20C 109.4 . . ?
C21B C20B H20C 109.4 . . ?
C19B C20B H20D 109.4 . . ?
C21B C20B H20D 109.4 . . ?
H20C C20B H20D 108.0 . . ?
C22B C21B C20B 114.7(5) . . ?
C22B C21B P2B 118.1(4) . . ?
C20B C21B P2B 103.1(4) . . ?
C22B C21B H21B 106.8 . . ?
C20B C21B H21B 106.8 . . ?
P2B C21B H21B 106.8 . . ?
C21B C22B C24B 114.8(6) . . ?
C21B C22B C23B 108.9(6) . . ?
C24B C22B C23B 109.2(6) . . ?
C21B C22B H22B 107.9 . . ?
C24B C22B H22B 107.9 . . ?
C23B C22B H22B 107.9 . . ?
C22B C23B H23D 109.5 . . ?
C22B C23B H23E 109.5 . . ?
H23D C23B H23E 109.5 . . ?
C22B C23B H23F 109.5 . . ?
H23D C23B H23F 109.5 . . ?
H23E C23B H23F 109.5 . . ?
C22B C24B H24D 109.5 . . ?
C22B C24B H24E 109.5 . . ?
H24D C24B H24E 109.5 . . ?
C22B C24B H24F 109.5 . . ?
H24D C24B H24F 109.5 . . ?
H24E C24B H24F 109.5 . . ?
C27B C25B C18B 111.1(6) . . ?
C27B C25B C26B 111.4(6) . . ?
C18B C25B C26B 111.7(6) . . ?
C27B C25B H25B 107.5 . . ?
C18B C25B H25B 107.5 . . ?
C26B C25B H25B 107.5 . . ?
C25B C26B H26D 109.5 . . ?
C25B C26B H26E 109.5 . . ?
H26D C26B H26E 109.5 . . ?
C25B C26B H26F 109.5 . . ?
H26D C26B H26F 109.5 . . ?
H26E C26B H26F 109.5 . . ?
C25B C27B H27D 109.5 . . ?
C25B C27B H27E 109.5 . . ?
H27D C27B H27E 109.5 . . ?
C25B C27B H27F 109.5 . . ?
H27D C27B H27F 109.5 . . ?
H27E C27B H27F 109.5 . . ?
C35D C28B C29B 113.8(17) . . ?
C35B C28B C29B 119.1(17) . . ?
C35D C28B P1B 116.8(17) . . ?
C35B C28B P1B 120.3(17) . . ?
C29B C28B P1B 102.9(4) . . ?
C35B C28B H28B 104.2 . . ?
C29B C28B H28B 104.2 . . ?
P1B C28B H28B 104.2 . . ?
C30B C29B C28B 107.4(5) . . ?
C30B C29B H29C 110.2 . . ?
C28B C29B H29C 110.2 . . ?
C30B C29B H29D 110.2 . . ?
C28B C29B H29D 110.2 . . ?
H29C C29B H29D 108.5 . . ?
C31B C30B C29B 107.6(6) . . ?
C31B C30B H30C 110.2 . . ?
C29B C30B H30C 110.2 . . ?
C31B C30B H30D 110.2 . . ?
C29B C30B H30D 110.2 . . ?
H30C C30B H30D 108.5 . . ?
C30B C31B C32B 115.8(6) . . ?
C30B C31B P1B 104.5(5) . . ?
C32B C31B P1B 115.2(4) . . ?
C30B C31B H31B 106.9 . . ?
C32B C31B H31B 106.9 . . ?
P1B C31B H31B 106.9 . . ?
C33B C32B C34B 110.9(6) . . ?
C33B C32B C31B 109.7(5) . . ?
C34B C32B C31B 110.5(5) . . ?
C33B C32B H32B 108.5 . . ?
C34B C32B H32B 108.5 . . ?
C31B C32B H32B 108.5 . . ?
C32B C33B H33D 109.5 . . ?
C32B C33B H33E 109.5 . . ?
H33D C33B H33E 109.5 . . ?
C32B C33B H33F 109.5 . . ?
H33D C33B H33F 109.5 . . ?
H33E C33B H33F 109.5 . . ?
C32B C34B H34D 109.5 . . ?
C32B C34B H34E 109.5 . . ?
H34D C34B H34E 109.5 . . ?
C32B C34B H34F 109.5 . . ?
H34D C34B H34F 109.5 . . ?
H34E C34B H34F 109.5 . . ?
C37B C35B C36B 96(2) . . ?
C37B C35B C28B 102.0(15) . . ?
C36B C35B C28B 110(2) . . ?
C37B C35B H35D 115.4 . . ?
C36B C35B H35D 115.4 . . ?
C28B C35B H35D 115.4 . . ?
C35B C36B H36G 109.5 . . ?
C35B C36B H36H 109.5 . . ?
H36G C36B H36H 109.5 . . ?
C35B C36B H36I 109.5 . . ?
H36G C36B H36I 109.5 . . ?
H36H C36B H36I 109.5 . . ?
C35B C37B H37G 109.5 . . ?
C35B C37B H37H 109.5 . . ?
H37G C37B H37H 109.5 . . ?
C35B C37B H37I 109.5 . . ?
H37G C37B H37I 109.5 . . ?
H37H C37B H37I 109.5 . . ?
C36D C35D C37D 100(2) . . ?
C36D C35D C28B 107(2) . . ?
C37D C35D C28B 139.2(16) . . ?
C36D C35D H35B 102.0 . . ?
C37D C35D H35B 102.0 . . ?
C28B C35D H35B 102.0 . . ?
C35D C36D H36D 109.5 . . ?
C35D C36D H36E 109.5 . . ?
H36D C36D H36E 109.5 . . ?
C35D C36D H36F 109.5 . . ?
H36D C36D H36F 109.5 . . ?
H36E C36D H36F 109.5 . . ?
C35D C37D H37D 109.5 . . ?
C35D C37D H37E 109.5 . . ?
H37D C37D H37E 109.5 . . ?
C35D C37D H37F 109.5 . . ?
H37D C37D H37F 109.5 . . ?
H37E C37D H37F 109.5 . . ?
N1S C1S C2S 177.7(11) . . ?
C1S C2S H2S1 109.5 . . ?
C1S C2S H2S2 109.5 . . ?
H2S1 C2S H2S2 109.5 . . ?
C1S C2S H2S3 109.5 . . ?
H2S1 C2S H2S3 109.5 . . ?
H2S2 C2S H2S3 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
C6A C1A C2A C3A 2.6(9) . . . . ?
Au1A C1A C2A C3A 177.6(4) . . . . ?
Au1C C1A C2A C3A 175.4(6) . . . . ?
C1A C2A C3A C4A -1.2(10) . . . . ?
C2A C3A C4A C5A 0.1(11) . . . . ?
C3A C4A C5A C6A -0.3(11) . . . . ?
C2A C1A C6A C5A -2.7(8) . . . . ?
Au1A C1A C6A C5A -177.5(4) . . . . ?
Au1C C1A C6A C5A -177.9(5) . . . . ?
C2A C1A C6A C7A 175.5(6) . . . . ?
Au1A C1A C6A C7A 0.8(8) . . . . ?
Au1C C1A C6A C7A 0.4(7) . . . . ?
C4A C5A C6A C1A 1.6(10) . . . . ?
C4A C5A C6A C7A -176.7(7) . . . . ?
C11A N1 C7A C8A 0.(1) . . . . ?
Au1C N1 C7A C8A -155.9(7) . . . . ?
C11A N1 C7A C6A -179.5(6) . . . . ?
Au1C N1 C7A C6A 24.6(10) . . . . ?
C1A C6A C7A N1 -14.8(9) . . . . ?
C5A C6A C7A N1 163.4(6) . . . . ?
C1A C6A C7A C8A 165.7(6) . . . . ?
C5A C6A C7A C8A -16.1(10) . . . . ?
N1 C7A C8A C9A 0.1(11) . . . . ?
C6A C7A C8A C9A 179.6(7) . . . . ?
C7A C8A C9A C10A -0.5(13) . . . . ?
C8A C9A C10A C11A 0.7(14) . . . . ?
C7A N1 C11A C10A 0.2(10) . . . . ?
Au1C N1 C11A C10A 157.2(7) . . . . ?
C9A C10A C11A N1 -0.5(13) . . . . ?
C18A P1A C12A C13A 46.4(7) . . . . ?
C21A P1A C12A C13A -56.4(7) . . . . ?
Au1C P1A C12A C13A 158.5(7) . . . . ?
Au1A P1A C12A C13A -176.3(6) . . . . ?
C18A P1A C12A C17A -131.0(6) . . . . ?
C21A P1A C12A C17A 126.2(6) . . . . ?
Au1C P1A C12A C17A -18.9(8) . . . . ?
Au1A P1A C12A C17A 6.3(6) . . . . ?
C17A C12A C13A C14A -0.9(12) . . . . ?
P1A C12A C13A C14A -178.4(7) . . . . ?
C12A C13A C14A C15A 1.2(14) . . . . ?
C13A C14A C15A C16A -1.3(13) . . . . ?
C14A C15A C16A C17A 1.2(11) . . . . ?
C15A C16A C17A C12A -1.(1) . . . . ?
C15A C16A C17A P2A 178.4(5) . . . . ?
C13A C12A C17A C16A 0.9(10) . . . . ?
P1A C12A C17A C16A 178.4(5) . . . . ?
C13A C12A C17A P2A -178.6(5) . . . . ?
P1A C12A C17A P2A -1.0(8) . . . . ?
C31A P2A C17A C16A 44.8(6) . . . . ?
C28A P2A C17A C16A -60.3(6) . . . . ?
Au1A P2A C17A C16A 175.5(5) . . . . ?
Au1C P2A C17A C16A -159.7(6) . . . . ?
C31A P2A C17A C12A -135.8(5) . . . . ?
C28A P2A C17A C12A 119.2(5) . . . . ?
Au1A P2A C17A C12A -5.0(6) . . . . ?
Au1C P2A C17A C12A 19.7(7) . . . . ?
C12A P1A C18A C25A 103.4(5) . . . . ?
C21A P1A C18A C25A -143.7(6) . . . . ?
Au1C P1A C18A C25A -8.0(7) . . . . ?
Au1A P1A C18A C25A -21.2(6) . . . . ?
C12A P1A C18A C19A -124.9(5) . . . . ?
C21A P1A C18A C19A -11.9(5) . . . . ?
Au1C P1A C18A C19A 123.8(6) . . . . ?
Au1A P1A C18A C19A 110.6(4) . . . . ?
C25A C18A C19A C20A 170.0(6) . . . . ?
P1A C18A C19A C20A 36.4(7) . . . . ?
C18A C19A C20A C21A -50.3(8) . . . . ?
C19A C20A C21A C22A 166.4(7) . . . . ?
C19A C20A C21A P1A 38.2(7) . . . . ?
C12A P1A C21A C22A -33.4(6) . . . . ?
C18A P1A C21A C22A -143.2(6) . . . . ?
Au1C P1A C21A C22A 99.6(8) . . . . ?
Au1A P1A C21A C22A 82.7(6) . . . . ?
C12A P1A C21A C20A 95.6(5) . . . . ?
C18A P1A C21A C20A -14.2(5) . . . . ?
Au1C P1A C21A C20A -131.4(6) . . . . ?
Au1A P1A C21A C20A -148.3(4) . . . . ?
C20A C21A C22A C23A 178.2(7) . . . . ?
P1A C21A C22A C23A -59.6(9) . . . . ?
C20A C21A C22A C24A 56.9(10) . . . . ?
P1A C21A C22A C24A 179.1(6) . . . . ?
C19A C18A C25A C26A 73.9(8) . . . . ?
P1A C18A C25A C26A -160.1(5) . . . . ?
C19A C18A C25A C27A -52.0(8) . . . . ?
P1A C18A C25A C27A 74.0(7) . . . . ?
C17A P2A C28A C35A -7.2(5) . . . . ?
C31A P2A C28A C35A -120.8(5) . . . . ?
Au1A P2A C28A C35A 113.7(4) . . . . ?
Au1C P2A C28A C35A 98.3(6) . . . . ?
C17A P2A C28A C29A 118.6(4) . . . . ?
C31A P2A C28A C29A 5.1(4) . . . . ?
Au1A P2A C28A C29A -120.5(3) . . . . ?
Au1C P2A C28A C29A -135.8(6) . . . . ?
C35A C28A C29A C30A 149.3(5) . . . . ?
P2A C28A C29A C30A 22.3(6) . . . . ?
C28A C29A C30A C31A -46.4(6) . . . . ?
C29A C30A C31A C32A 178.0(5) . . . . ?
C29A C30A C31A P2A 46.3(5) . . . . ?
C17A P2A C31A C30A -147.0(4) . . . . ?
C28A P2A C31A C30A -30.2(4) . . . . ?
Au1A P2A C31A C30A 89.8(4) . . . . ?
Au1C P2A C31A C30A 71.9(8) . . . . ?
C17A P2A C31A C32A 79.6(5) . . . . ?
C28A P2A C31A C32A -163.6(5) . . . . ?
Au1A P2A C31A C32A -43.6(5) . . . . ?
Au1C P2A C31A C32A -61.5(8) . . . . ?
C30A C31A C32A C34A 147.2(5) . . . . ?
P2A C31A C32A C34A -87.7(6) . . . . ?
C30A C31A C32A C33A 24.1(8) . . . . ?
P2A C31A C32A C33A 149.2(5) . . . . ?
C29A C28A C35A C37A 176.7(6) . . . . ?
P2A C28A C35A C37A -62.8(7) . . . . ?
C29A C28A C35A C36A 54.3(8) . . . . ?
P2A C28A C35A C36A 174.8(5) . . . . ?
C6B C1B C2B C3B 2.6(9) . . . . ?
Au1B C1B C2B C3B 176.5(4) . . . . ?
Au1D C1B C2B C3B 179.6(4) . . . . ?
C1B C2B C3B C4B -1.7(9) . . . . ?
C2B C3B C4B C5B 0.2(9) . . . . ?
C3B C4B C5B C6B 0.4(9) . . . . ?
C2B C1B C6B C5B -2.0(8) . . . . ?
Au1B C1B C6B C5B -175.3(4) . . . . ?
Au1D C1B C6B C5B -179.7(4) . . . . ?
C2B C1B C6B C7B 178.0(5) . . . . ?
Au1B C1B C6B C7B 4.6(7) . . . . ?
Au1D C1B C6B C7B 0.2(6) . . . . ?
C4B C5B C6B C1B 0.5(8) . . . . ?
C4B C5B C6B C7B -179.4(5) . . . . ?
C11B N1B C7B C8B -1.3(9) . . . . ?
Au1D N1B C7B C8B -155.9(5) . . . . ?
C11B N1B C7B C6B -179.8(6) . . . . ?
Au1D N1B C7B C6B 25.6(7) . . . . ?
C1B C6B C7B N1B -16.3(8) . . . . ?
C5B C6B C7B N1B 163.7(5) . . . . ?
C1B C6B C7B C8B 165.3(5) . . . . ?
C5B C6B C7B C8B -14.8(8) . . . . ?
N1B C7B C8B C9B 1.3(10) . . . . ?
C6B C7B C8B C9B 179.8(7) . . . . ?
C7B C8B C9B C10B 0.7(13) . . . . ?
C8B C9B C10B C11B -2.5(12) . . . . ?
C7B N1B C11B C10B -0.7(10) . . . . ?
Au1D N1B C11B C10B 153.6(6) . . . . ?
C9B C10B C11B N1B 2.6(11) . . . . ?
C28B P1B C12B C17B -133.3(5) . . . . ?
C31B P1B C12B C17B 122.9(5) . . . . ?
Au1B P1B C12B C17B 3.8(5) . . . . ?
Au1D P1B C12B C17B -18.5(6) . . . . ?
C28B P1B C12B C13B 49.0(6) . . . . ?
C31B P1B C12B C13B -54.8(6) . . . . ?
Au1B P1B C12B C13B -173.9(5) . . . . ?
Au1D P1B C12B C13B 163.9(5) . . . . ?
C17B C12B C13B C14B 0.3(10) . . . . ?
P1B C12B C13B C14B 178.0(5) . . . . ?
C12B C13B C14B C15B -1.1(11) . . . . ?
C13B C14B C15B C16B 1.2(11) . . . . ?
C14B C15B C16B C17B -0.4(10) . . . . ?
C13B C12B C17B C16B 0.3(9) . . . . ?
P1B C12B C17B C16B -177.3(4) . . . . ?
C13B C12B C17B P2B 179.3(5) . . . . ?
P1B C12B C17B P2B 1.6(7) . . . . ?
C15B C16B C17B C12B -0.3(9) . . . . ?
C15B C16B C17B P2B -179.3(5) . . . . ?
C18B P2B C17B C12B -135.9(5) . . . . ?
C21B P2B C17B C12B 118.3(5) . . . . ?
Au1D P2B C17B C12B 17.3(6) . . . . ?
Au1B P2B C17B C12B -6.3(6) . . . . ?
C18B P2B C17B C16B 43.1(6) . . . . ?
C21B P2B C17B C16B -62.8(6) . . . . ?
Au1D P2B C17B C16B -163.7(5) . . . . ?
Au1B P2B C17B C16B 172.7(4) . . . . ?
C17B P2B C18B C19B -151.4(4) . . . . ?
C21B P2B C18B C19B -34.1(4) . . . . ?
Au1D P2B C18B C19B 68.9(5) . . . . ?
Au1B P2B C18B C19B 86.0(4) . . . . ?
C17B P2B C18B C25B 74.3(5) . . . . ?
C21B P2B C18B C25B -168.5(5) . . . . ?
Au1D P2B C18B C25B -65.5(6) . . . . ?
Au1B P2B C18B C25B -48.4(5) . . . . ?
C25B C18B C19B C20B -179.5(5) . . . . ?
P2B C18B C19B C20B 47.0(5) . . . . ?
C18B C19B C20B C21B -41.3(7) . . . . ?
C19B C20B C21B C22B 143.6(6) . . . . ?
C19B C20B C21B P2B 13.9(6) . . . . ?
C17B P2B C21B C22B -0.8(6) . . . . ?
C18B P2B C21B C22B -115.5(5) . . . . ?
Au1D P2B C21B C22B 106.0(5) . . . . ?
Au1B P2B C21B C22B 120.1(4) . . . . ?
C17B P2B C21B C20B 126.7(4) . . . . ?
C18B P2B C21B C20B 12.1(4) . . . . ?
Au1D P2B C21B C20B -126.4(4) . . . . ?
Au1B P2B C21B C20B -112.4(4) . . . . ?
C20B C21B C22B C24B 176.0(6) . . . . ?
P2B C21B C22B C24B -62.2(8) . . . . ?
C20B C21B C22B C23B 53.1(8) . . . . ?
P2B C21B C22B C23B 175.0(5) . . . . ?
C19B C18B C25B C27B 147.5(6) . . . . ?
P2B C18B C25B C27B -86.7(6) . . . . ?
C19B C18B C25B C26B 22.5(8) . . . . ?
P2B C18B C25B C26B 148.3(5) . . . . ?
C12B P1B C28B C35D 105.6(13) . . . . ?
C31B P1B C28B C35D -140.7(13) . . . . ?
Au1D P1B C28B C35D -3.5(13) . . . . ?
C12B P1B C28B C35B 95.6(12) . . . . ?
C31B P1B C28B C35B -150.7(12) . . . . ?
Au1B P1B C28B C35B -30.5(12) . . . . ?
C12B P1B C28B C29B -129.0(5) . . . . ?
C31B P1B C28B C29B -15.3(5) . . . . ?
Au1B P1B C28B C29B 104.9(4) . . . . ?
Au1D P1B C28B C29B 121.9(4) . . . . ?
C35D C28B C29B C30B 166.5(13) . . . . ?
C35B C28B C29B C30B 175.2(13) . . . . ?
P1B C28B C29B C30B 39.2(6) . . . . ?
C28B C29B C30B C31B -51.6(8) . . . . ?
C29B C30B C31B C32B 164.9(6) . . . . ?
C29B C30B C31B P1B 37.1(7) . . . . ?
C12B P1B C31B C30B 100.8(5) . . . . ?
C28B P1B C31B C30B -12.0(5) . . . . ?
Au1B P1B C31B C30B -143.4(4) . . . . ?
Au1D P1B C31B C30B -133.7(4) . . . . ?
C12B P1B C31B C32B -27.4(5) . . . . ?
C28B P1B C31B C32B -140.3(5) . . . . ?
Au1B P1B C31B C32B 88.4(5) . . . . ?
Au1D P1B C31B C32B 98.0(5) . . . . ?
C30B C31B C32B C33B 175.3(6) . . . . ?
P1B C31B C32B C33B -62.4(7) . . . . ?
C30B C31B C32B C34B 52.7(8) . . . . ?
P1B C31B C32B C34B 175.0(5) . . . . ?
C29B C28B C35B C37B -49(3) . . . . ?
P1B C28B C35B C37B 80(3) . . . . ?
C29B C28B C35B C36B 52.4(17) . . . . ?
P1B C28B C35B C36B -179.2(12) . . . . ?
C29B C28B C35D C36D 167.6(15) . . . . ?
P1B C28B C35D C36D -72.6(17) . . . . ?
C29B C28B C35D C37D -64(6) . . . . ?
P1B C28B C35D C37D 56(6) . . . . ?

_refine_diff_density_max         0.975
_refine_diff_density_min         -1.063
_refine_diff_density_rms         0.075




