# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2020

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

data_3
_database_code_depnum_ccdc_archive 'CCDC 2035740'
loop_
_audit_author_name
_audit_author_address
'Nathalie Saffon'
;Institut de Chimie de Toulouse
France
;
_audit_update_record             
;
2020-10-06 deposited with the CCDC.	2020-12-02 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         ?
_chemical_formula_sum            'C45 H38 Au B F12 N P'
_chemical_formula_weight         1059.51

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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

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

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

_cell_length_a                   10.0600(5)
_cell_length_b                   12.6560(7)
_cell_length_c                   34.5461(19)
_cell_angle_alpha                90
_cell_angle_beta                 92.8652(18)
_cell_angle_gamma                90
_cell_volume                     4392.9(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9787
_cell_measurement_theta_min      2.63
_cell_measurement_theta_max      27.59

_exptl_crystal_description       stick
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.602
_exptl_crystal_F_000             2088
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    3.469
_shelx_estimated_absorpt_T_min   0.681
_shelx_estimated_absorpt_T_max   0.819
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6766
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_absorpt_special_details   
;
SADABS-2016/2 Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker D8-Venture Photon III detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            191226
_diffrn_reflns_av_unetI/netI     0.0251
_diffrn_reflns_av_R_equivalents  0.0650
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_theta_min         2.588
_diffrn_reflns_theta_max         28.322
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             10938
_reflns_number_gt                8898
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT (Sheldrick 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0286P)²+4.2828P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     'dual space'
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10938
_refine_ls_number_parameters     649
_refine_ls_number_restraints     336
_refine_ls_R_factor_all          0.0443
_refine_ls_R_factor_gt           0.0305
_refine_ls_wR_factor_ref         0.0701
_refine_ls_wR_factor_gt          0.0654
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_restrained_S_all      1.123
_refine_ls_shift/su_max          0.005
_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 0.46746(2) 0.73183(2) 0.35395(2) 0.03462(4) Uani 1 1 d . . . . .
P1 P 0.80264(8) 0.51073(6) 0.40861(2) 0.03472(17) Uani 1 1 d . . . . .
N1 N 0.3098(3) 0.9138(2) 0.31063(8) 0.0446(7) Uani 1 1 d . . . . .
B1 B 0.7741(3) 0.7304(3) 0.40763(9) 0.0299(6) Uani 1 1 d . . . . .
C1 C 0.5700(3) 0.6083(2) 0.37909(9) 0.0323(6) Uani 1 1 d . . . . .
C2 C 0.6916(3) 0.6206(2) 0.39731(8) 0.0293(6) Uani 1 1 d . . . . .
C3 C 0.5009(3) 0.5041(3) 0.37377(10) 0.0385(7) Uani 1 1 d . . . . .
C4 C 0.4664(3) 0.4446(3) 0.40573(12) 0.0488(9) Uani 1 1 d . . . . .
H4 H 0.491413 0.468125 0.431175 0.059 Uiso 1 1 calc R U . . .
C5 C 0.3950(4) 0.3501(3) 0.40042(17) 0.0709(14) Uani 1 1 d . . . . .
H5 H 0.371356 0.310111 0.422305 0.085 Uiso 1 1 calc R U . . .
C6 C 0.3588(5) 0.3148(4) 0.3635(2) 0.0814(16) Uani 1 1 d . . . . .
H6 H 0.309836 0.251022 0.359929 0.098 Uiso 1 1 calc R U . . .
C7 C 0.3938(5) 0.3721(4) 0.33236(17) 0.0753(14) Uani 1 1 d . . . . .
H7 H 0.371820 0.346473 0.306998 0.090 Uiso 1 1 calc R U . . .
C8 C 0.4609(4) 0.4670(3) 0.33681(13) 0.0552(10) Uani 1 1 d . . . . .
H8 H 0.479997 0.507377 0.314588 0.066 Uiso 1 1 calc R U . . .
C9 C 0.9551(3) 0.5851(3) 0.41186(9) 0.0360(7) Uani 1 1 d . . . . .
C10 C 0.9289(3) 0.6940(3) 0.41040(8) 0.0341(6) Uani 1 1 d . . . . .
C11 C 1.0390(3) 0.7616(3) 0.41073(10) 0.0428(8) Uani 1 1 d . . . . .
H11 H 1.025208 0.835806 0.410221 0.051 Uiso 1 1 calc R U . . .
C12 C 1.1678(3) 0.7224(3) 0.41180(11) 0.0516(9) Uani 1 1 d . . . . .
H12 H 1.240903 0.769854 0.411615 0.062 Uiso 1 1 calc R U . . .
C13 C 1.1906(4) 0.6147(4) 0.41312(11) 0.0554(10) Uani 1 1 d . . . . .
H13 H 1.279271 0.588618 0.414062 0.067 Uiso 1 1 calc R U . . .
C14 C 1.0855(3) 0.5450(3) 0.41307(11) 0.0481(9) Uani 1 1 d . . . . .
H14 H 1.100873 0.470925 0.413838 0.058 Uiso 1 1 calc R U . . .
C15 C 0.8054(4) 0.4154(3) 0.36843(12) 0.0552(10) Uani 1 1 d . . . . .
H15 H 0.713368 0.385946 0.364717 0.066 Uiso 1 1 calc R U . . .
C16 C 0.8346(5) 0.4752(4) 0.33138(13) 0.0771(14) Uani 1 1 d . . . . .
H16A H 0.922728 0.508062 0.334347 0.116 Uiso 1 1 calc R U . . .
H16B H 0.767051 0.530122 0.326547 0.116 Uiso 1 1 calc R U . . .
H16C H 0.832672 0.425919 0.309491 0.116 Uiso 1 1 calc R U . . .
C17 C 0.8997(5) 0.3214(4) 0.37521(19) 0.096(2) Uani 1 1 d . . . . .
H17A H 0.893443 0.274539 0.352607 0.144 Uiso 1 1 calc R U . . .
H17B H 0.874723 0.282364 0.398248 0.144 Uiso 1 1 calc R U . . .
H17C H 0.991255 0.347148 0.379112 0.144 Uiso 1 1 calc R U . . .
C18 C 0.7761(3) 0.4421(3) 0.45454(10) 0.0417(8) Uani 1 1 d . . . . .
H18 H 0.706333 0.386920 0.449311 0.050 Uiso 1 1 calc R U . . .
C19 C 0.9017(4) 0.3863(3) 0.47178(13) 0.0605(11) Uani 1 1 d . . . . .
H19A H 0.973385 0.438111 0.475980 0.091 Uiso 1 1 calc R U . . .
H19B H 0.929685 0.331709 0.453781 0.091 Uiso 1 1 calc R U . . .
H19C H 0.882010 0.353547 0.496558 0.091 Uiso 1 1 calc R U . . .
C20 C 0.7236(4) 0.5193(3) 0.48417(10) 0.0517(9) Uani 1 1 d . . . . .
H20A H 0.706760 0.481414 0.508163 0.078 Uiso 1 1 calc R U . . .
H20B H 0.640629 0.551246 0.473711 0.078 Uiso 1 1 calc R U . . .
H20C H 0.789805 0.574875 0.489617 0.078 Uiso 1 1 calc R U . . .
C21 C 0.7311(3) 0.7796(2) 0.44927(8) 0.0318(6) Uani 1 1 d . . . . .
C22 C 0.8252(3) 0.8157(3) 0.47760(9) 0.0381(7) Uani 1 1 d . . . . .
H22 H 0.917059 0.811736 0.472632 0.046 Uiso 1 1 calc R U . . .
C23 C 0.7880(4) 0.8571(3) 0.51257(9) 0.0430(8) Uani 1 1 d . . . . .
C24 C 0.6556(4) 0.8637(3) 0.52095(10) 0.0475(9) Uani 1 1 d . . . . .
H24 H 0.630216 0.891793 0.545003 0.057 Uiso 1 1 calc R U . . .
C25 C 0.5601(4) 0.8286(3) 0.49351(10) 0.0427(8) Uani 1 1 d . . . . .
C26 C 0.5985(3) 0.7878(2) 0.45845(9) 0.0360(7) Uani 1 1 d . . . . .
H26 H 0.531527 0.764526 0.440031 0.043 Uiso 1 1 calc R U . . .
C27 C 0.8922(5) 0.8940(3) 0.54243(11) 0.0576(11) Uani 1 1 d . . . . .
F1 F 0.8757(4) 0.9912(2) 0.55331(9) 0.1032(12) Uani 1 1 d . . . . .
F2 F 0.8933(3) 0.8338(2) 0.57401(8) 0.0889(9) Uani 1 1 d . . . . .
F3 F 1.0168(3) 0.8858(3) 0.53106(9) 0.0995(11) Uani 1 1 d . . . . .
C28 C 0.4162(5) 0.8321(4) 0.50129(13) 0.0637(11) Uani 1 1 d D U . . .
F4 F 0.3912(7) 0.9026(8) 0.5302(2) 0.089(2) Uani 0.612(16) 1 d D U P A 1
F5 F 0.3618(12) 0.7423(7) 0.5076(4) 0.105(3) Uani 0.612(16) 1 d D U P A 1
F6 F 0.3466(13) 0.8758(9) 0.4710(2) 0.076(2) Uani 0.612(16) 1 d D U P A 1
F4' F 0.3930(11) 0.8345(17) 0.5392(2) 0.098(4) Uani 0.388(16) 1 d D U P A 2
F5' F 0.3593(16) 0.7355(9) 0.4921(4) 0.069(3) Uani 0.388(16) 1 d D U P A 2
F6' F 0.341(2) 0.8953(12) 0.4803(5) 0.079(3) Uani 0.388(16) 1 d D U P A 2
C29 C 0.7536(3) 0.8170(3) 0.37280(9) 0.0348(7) Uani 1 1 d . . . . .
C30 C 0.6966(4) 0.9161(3) 0.37602(10) 0.0429(8) Uani 1 1 d . . . . .
H30 H 0.666034 0.937668 0.400373 0.052 Uiso 1 1 calc R U . . .
C31 C 0.6826(4) 0.9857(3) 0.34449(12) 0.0532(9) Uani 1 1 d . . . . .
C32 C 0.7279(4) 0.9575(4) 0.30897(11) 0.0618(11) Uani 1 1 d . . . . .
H32 H 0.719173 1.004455 0.287543 0.074 Uiso 1 1 calc R U . . .
C33 C 0.7861(4) 0.8599(4) 0.30517(11) 0.0590(10) Uani 1 1 d D U . . .
C36 C 0.8248(16) 0.8170(15) 0.2663(4) 0.085(2) Uani 0.452(14) 1 d D U P B 1
F10 F 0.9007(17) 0.7312(12) 0.2675(2) 0.116(4) Uani 0.452(14) 1 d D U P B 1
F11 F 0.8875(16) 0.8890(14) 0.2459(5) 0.107(3) Uani 0.452(14) 1 d D U P B 1
F12 F 0.7175(12) 0.7902(9) 0.2432(3) 0.086(3) Uani 0.452(14) 1 d D U P B 1
C36' C 0.8456(16) 0.8321(11) 0.2673(3) 0.088(2) Uani 0.548(14) 1 d D U P B 2
F10' F 0.7715(14) 0.7619(11) 0.2483(4) 0.122(3) Uani 0.548(14) 1 d D U P B 2
F11' F 0.9676(10) 0.7941(11) 0.2719(2) 0.110(3) Uani 0.548(14) 1 d D U P B 2
F12' F 0.8523(15) 0.9189(11) 0.2447(4) 0.113(3) Uani 0.548(14) 1 d D U P B 2
C34 C 0.7986(4) 0.7909(3) 0.33636(10) 0.0471(9) Uani 1 1 d . . . . .
H34 H 0.838960 0.723925 0.332859 0.057 Uiso 1 1 calc R U . . .
C35 C 0.6152(6) 1.0886(4) 0.34936(15) 0.0783(13) Uani 1 1 d D U . . .
F7 F 0.6376(13) 1.1309(9) 0.3837(2) 0.098(3) Uani 0.511(10) 1 d D U P C 1
F8 F 0.6690(11) 1.1634(5) 0.3255(2) 0.098(3) Uani 0.511(10) 1 d D U P C 1
F9 F 0.4926(8) 1.0856(6) 0.3399(5) 0.123(3) Uani 0.511(10) 1 d D U P C 1
F7' F 0.5674(15) 1.1343(9) 0.3181(3) 0.128(3) Uani 0.489(10) 1 d D U P C 2
F8' F 0.6773(14) 1.1528(10) 0.3734(4) 0.120(4) Uani 0.489(10) 1 d D U P C 2
F9' F 0.4966(8) 1.0771(6) 0.3688(3) 0.093(2) Uani 0.489(10) 1 d D U P C 2
C37 C 0.3663(3) 0.8478(3) 0.32702(10) 0.0416(7) Uani 1 1 d . . . . .
C38 C 0.2384(3) 0.9970(3) 0.29225(9) 0.0423(8) Uani 1 1 d . . . . .
C39 C 0.2807(4) 1.0346(4) 0.25699(11) 0.0589(11) Uani 1 1 d . . . . .
C40 C 0.2075(5) 1.1157(4) 0.23971(13) 0.0711(13) Uani 1 1 d . . . . .
H40 H 0.233780 1.144264 0.215842 0.085 Uiso 1 1 calc R U . . .
C41 C 0.0980(5) 1.1555(4) 0.25637(14) 0.0713(13) Uani 1 1 d . . . . .
H41 H 0.048624 1.210526 0.243678 0.086 Uiso 1 1 calc R U . . .
C42 C 0.0581(4) 1.1176(3) 0.29109(12) 0.0627(11) Uani 1 1 d . . . . .
H42 H -0.018019 1.147083 0.302226 0.075 Uiso 1 1 calc R U . . .
C43 C 0.1282(4) 1.0357(3) 0.31035(10) 0.0486(9) Uani 1 1 d . . . . .
C44 C 0.3991(5) 0.9889(5) 0.23835(15) 0.095(2) Uani 1 1 d . . . . .
H44A H 0.411146 1.024444 0.213568 0.142 Uiso 1 1 calc R U . . .
H44B H 0.384964 0.913171 0.233832 0.142 Uiso 1 1 calc R U . . .
H44C H 0.478763 0.999114 0.255456 0.142 Uiso 1 1 calc R U . . .
C45 C 0.0863(5) 0.9907(4) 0.34798(12) 0.0710(13) Uani 1 1 d . . . . .
H45A H 0.066130 0.915380 0.344650 0.107 Uiso 1 1 calc R U . . .
H45B H 0.006800 1.027847 0.356057 0.107 Uiso 1 1 calc R U . . .
H45C H 0.158466 0.999406 0.367838 0.107 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 C37 1.990(3) . ?
Au1 C1 2.043(3) . ?
P1 C9 1.798(3) . ?
P1 C2 1.814(3) . ?
P1 C18 1.840(3) . ?
P1 C15 1.840(4) . ?
N1 C37 1.144(4) . ?
N1 C38 1.408(4) . ?
B1 C10 1.622(4) . ?
B1 C29 1.633(5) . ?
B1 C21 1.645(4) . ?
B1 C2 1.648(5) . ?
C1 C2 1.357(4) . ?
C1 C3 1.497(4) . ?
C3 C4 1.395(5) . ?
C3 C8 1.401(5) . ?
C4 C5 1.403(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.383(7) . ?
C5 H5 0.9500 . ?
C6 C7 1.359(8) . ?
C6 H6 0.9500 . ?
C7 C8 1.382(6) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 C10 1.403(5) . ?
C9 C14 1.406(4) . ?
C10 C11 1.399(5) . ?
C11 C12 1.386(5) . ?
C11 H11 0.9500 . ?
C12 C13 1.383(6) . ?
C12 H12 0.9500 . ?
C13 C14 1.377(5) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C16 1.529(6) . ?
C15 C17 1.532(6) . ?
C15 H15 1.0000 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C20 1.529(5) . ?
C18 C19 1.541(5) . ?
C18 H18 1.0000 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C26 1.390(4) . ?
C21 C22 1.404(4) . ?
C22 C23 1.385(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.380(5) . ?
C23 C27 1.508(5) . ?
C24 C25 1.388(5) . ?
C24 H24 0.9500 . ?
C25 C26 1.389(4) . ?
C25 C28 1.487(6) . ?
C26 H26 0.9500 . ?
C27 F1 1.299(5) . ?
C27 F2 1.330(5) . ?
C27 F3 1.336(5) . ?
C28 F5 1.284(8) . ?
C28 F6' 1.298(12) . ?
C28 F4' 1.340(9) . ?
C28 F6 1.348(8) . ?
C28 F4 1.372(7) . ?
C28 F5' 1.379(11) . ?
C29 C30 1.386(5) . ?
C29 C34 1.399(5) . ?
C30 C31 1.402(5) . ?
C30 H30 0.9500 . ?
C31 C32 1.377(6) . ?
C31 C35 1.483(6) . ?
C32 C33 1.376(6) . ?
C32 H32 0.9500 . ?
C33 C34 1.388(5) . ?
C33 C36' 1.507(10) . ?
C33 C36 1.517(12) . ?
C36 F10 1.327(16) . ?
C36 F11 1.331(17) . ?
C36 F12 1.354(15) . ?
C36' F10' 1.314(15) . ?
C36' F11' 1.320(15) . ?
C36' F12' 1.352(14) . ?
C34 H34 0.9500 . ?
C35 F9 1.260(8) . ?
C35 F7' 1.296(8) . ?
C35 F8' 1.300(12) . ?
C35 F7 1.309(10) . ?
C35 F8 1.383(8) . ?
C35 F9' 1.405(9) . ?
C38 C43 1.389(5) . ?
C38 C39 1.394(5) . ?
C39 C40 1.382(6) . ?
C39 C44 1.499(6) . ?
C40 C41 1.364(6) . ?
C40 H40 0.9500 . ?
C41 C42 1.371(6) . ?
C41 H41 0.9500 . ?
C42 C43 1.403(5) . ?
C42 H42 0.9500 . ?
C43 C45 1.499(5) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 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
C37 Au1 C1 177.09(13) . . ?
C9 P1 C2 97.24(14) . . ?
C9 P1 C18 110.70(15) . . ?
C2 P1 C18 115.67(14) . . ?
C9 P1 C15 110.21(17) . . ?
C2 P1 C15 111.88(16) . . ?
C18 P1 C15 110.42(19) . . ?
C37 N1 C38 177.1(4) . . ?
C10 B1 C29 108.7(2) . . ?
C10 B1 C21 110.5(2) . . ?
C29 B1 C21 111.2(3) . . ?
C10 B1 C2 104.2(2) . . ?
C29 B1 C2 111.3(2) . . ?
C21 B1 C2 110.9(2) . . ?
C2 C1 C3 124.1(3) . . ?
C2 C1 Au1 122.2(2) . . ?
C3 C1 Au1 113.6(2) . . ?
C1 C2 B1 129.1(3) . . ?
C1 C2 P1 122.9(2) . . ?
B1 C2 P1 107.56(19) . . ?
C4 C3 C8 118.0(3) . . ?
C4 C3 C1 120.7(3) . . ?
C8 C3 C1 121.2(3) . . ?
C3 C4 C5 120.2(4) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
C6 C5 C4 120.4(5) . . ?
C6 C5 H5 119.8 . . ?
C4 C5 H5 119.8 . . ?
C7 C6 C5 119.4(4) . . ?
C7 C6 H6 120.3 . . ?
C5 C6 H6 120.3 . . ?
C6 C7 C8 121.4(5) . . ?
C6 C7 H7 119.3 . . ?
C8 C7 H7 119.3 . . ?
C7 C8 C3 120.6(4) . . ?
C7 C8 H8 119.7 . . ?
C3 C8 H8 119.7 . . ?
C10 C9 C14 121.9(3) . . ?
C10 C9 P1 110.7(2) . . ?
C14 C9 P1 127.2(3) . . ?
C11 C10 C9 116.9(3) . . ?
C11 C10 B1 125.7(3) . . ?
C9 C10 B1 117.3(3) . . ?
C12 C11 C10 121.3(4) . . ?
C12 C11 H11 119.3 . . ?
C10 C11 H11 119.3 . . ?
C13 C12 C11 120.5(3) . . ?
C13 C12 H12 119.8 . . ?
C11 C12 H12 119.8 . . ?
C14 C13 C12 120.4(3) . . ?
C14 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
C13 C14 C9 118.9(4) . . ?
C13 C14 H14 120.5 . . ?
C9 C14 H14 120.5 . . ?
C16 C15 C17 111.7(4) . . ?
C16 C15 P1 108.5(3) . . ?
C17 C15 P1 115.2(3) . . ?
C16 C15 H15 107.0 . . ?
C17 C15 H15 107.0 . . ?
P1 C15 H15 107.0 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C20 C18 C19 109.8(3) . . ?
C20 C18 P1 110.2(2) . . ?
C19 C18 P1 113.5(3) . . ?
C20 C18 H18 107.7 . . ?
C19 C18 H18 107.7 . . ?
P1 C18 H18 107.7 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C26 C21 C22 116.0(3) . . ?
C26 C21 B1 121.7(3) . . ?
C22 C21 B1 122.4(3) . . ?
C23 C22 C21 122.0(3) . . ?
C23 C22 H22 119.0 . . ?
C21 C22 H22 119.0 . . ?
C24 C23 C22 120.8(3) . . ?
C24 C23 C27 118.9(3) . . ?
C22 C23 C27 120.3(4) . . ?
C23 C24 C25 118.6(3) . . ?
C23 C24 H24 120.7 . . ?
C25 C24 H24 120.7 . . ?
C24 C25 C26 120.1(3) . . ?
C24 C25 C28 120.9(3) . . ?
C26 C25 C28 119.0(3) . . ?
C25 C26 C21 122.6(3) . . ?
C25 C26 H26 118.7 . . ?
C21 C26 H26 118.7 . . ?
F1 C27 F2 107.5(3) . . ?
F1 C27 F3 107.1(4) . . ?
F2 C27 F3 103.2(4) . . ?
F1 C27 C23 113.4(3) . . ?
F2 C27 C23 111.1(4) . . ?
F3 C27 C23 113.9(3) . . ?
F6' C28 F4' 113.9(9) . . ?
F5 C28 F6 106.6(9) . . ?
F5 C28 F4 110.9(6) . . ?
F6 C28 F4 100.9(6) . . ?
F6' C28 F5' 101.2(11) . . ?
F4' C28 F5' 98.8(8) . . ?
F5 C28 C25 115.6(7) . . ?
F6' C28 C25 117.7(10) . . ?
F4' C28 C25 113.3(6) . . ?
F6 C28 C25 110.2(7) . . ?
F4 C28 C25 111.5(5) . . ?
F5' C28 C25 109.2(7) . . ?
C30 C29 C34 116.1(3) . . ?
C30 C29 B1 125.9(3) . . ?
C34 C29 B1 118.0(3) . . ?
C29 C30 C31 122.1(3) . . ?
C29 C30 H30 118.9 . . ?
C31 C30 H30 118.9 . . ?
C32 C31 C30 120.3(4) . . ?
C32 C31 C35 120.2(4) . . ?
C30 C31 C35 119.5(4) . . ?
C33 C32 C31 118.6(3) . . ?
C33 C32 H32 120.7 . . ?
C31 C32 H32 120.7 . . ?
C32 C33 C34 120.9(4) . . ?
C32 C33 C36' 118.8(7) . . ?
C34 C33 C36' 120.1(7) . . ?
C32 C33 C36 122.3(8) . . ?
C34 C33 C36 116.4(8) . . ?
F10 C36 F11 106.8(12) . . ?
F10 C36 F12 104.7(12) . . ?
F11 C36 F12 104.1(15) . . ?
F10 C36 C33 116.0(12) . . ?
F11 C36 C33 111.9(14) . . ?
F12 C36 C33 112.3(11) . . ?
F10' C36' F11' 108.4(11) . . ?
F10' C36' F12' 107.7(14) . . ?
F11' C36' F12' 107.0(11) . . ?
F10' C36' C33 110.5(10) . . ?
F11' C36' C33 112.8(10) . . ?
F12' C36' C33 110.2(11) . . ?
C33 C34 C29 121.9(4) . . ?
C33 C34 H34 119.0 . . ?
C29 C34 H34 119.0 . . ?
F7' C35 F8' 113.6(9) . . ?
F9 C35 F7 111.6(9) . . ?
F9 C35 F8 105.9(7) . . ?
F7 C35 F8 101.7(6) . . ?
F7' C35 F9' 99.0(7) . . ?
F8' C35 F9' 98.7(8) . . ?
F9 C35 C31 113.1(6) . . ?
F7' C35 C31 116.8(6) . . ?
F8' C35 C31 114.4(8) . . ?
F7 C35 C31 113.8(6) . . ?
F8 C35 C31 109.8(6) . . ?
F9' C35 C31 111.6(5) . . ?
N1 C37 Au1 178.1(3) . . ?
C43 C38 C39 123.9(3) . . ?
C43 C38 N1 117.5(3) . . ?
C39 C38 N1 118.6(3) . . ?
C40 C39 C38 116.9(4) . . ?
C40 C39 C44 121.3(4) . . ?
C38 C39 C44 121.8(4) . . ?
C41 C40 C39 121.1(4) . . ?
C41 C40 H40 119.5 . . ?
C39 C40 H40 119.5 . . ?
C40 C41 C42 121.2(4) . . ?
C40 C41 H41 119.4 . . ?
C42 C41 H41 119.4 . . ?
C41 C42 C43 120.7(4) . . ?
C41 C42 H42 119.6 . . ?
C43 C42 H42 119.6 . . ?
C38 C43 C42 116.2(3) . . ?
C38 C43 C45 121.4(3) . . ?
C42 C43 C45 122.4(4) . . ?
C39 C44 H44A 109.5 . . ?
C39 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C39 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?

_refine_diff_density_max         1.308
_refine_diff_density_min         -0.918
_refine_diff_density_rms         0.084

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

data_2
_database_code_depnum_ccdc_archive 'CCDC 2036098'
loop_
_audit_author_name
_audit_author_address
'Nathalie Saffon'
;Institut de Chimie de Toulouse
France
;
_audit_update_record             
;
2020-10-08 deposited with the CCDC.	2020-12-02 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         ?
_chemical_formula_sum            'C78 H92 Au B F12 O3 P2'
_chemical_formula_weight         1575.23

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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   14.4357(8)
_cell_length_b                   21.5653(15)
_cell_length_c                   25.4588(17)
_cell_angle_alpha                87.595(3)
_cell_angle_beta                 77.238(3)
_cell_angle_gamma                83.387(3)
_cell_volume                     7677.2(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9120
_cell_measurement_theta_min      2.67
_cell_measurement_theta_max      28.21

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.363
_exptl_crystal_F_000             3224
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    2.032
_shelx_estimated_absorpt_T_min   0.687
_shelx_estimated_absorpt_T_max   0.923
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6704
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Incoatec microfocus sealed tube'
_diffrn_measurement_device_type  'Bruker kappa APEX-II CCD Quazar'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            217596
_diffrn_reflns_av_unetI/netI     0.0700
_diffrn_reflns_av_R_equivalents  0.0841
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         0.820
_diffrn_reflns_theta_max         28.282
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             37995
_reflns_number_gt                26470
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0318P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     'dual space'
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         37995
_refine_ls_number_parameters     1909
_refine_ls_number_restraints     402
_refine_ls_R_factor_all          0.0746
_refine_ls_R_factor_gt           0.0387
_refine_ls_wR_factor_ref         0.0832
_refine_ls_wR_factor_gt          0.0727
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_restrained_S_all      1.060
_refine_ls_shift/su_max          0.005
_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 0.49433(2) 0.19916(2) 0.08713(2) 0.02283(4) Uani 1 1 d . . . . .
P1 P 0.20244(6) 0.10699(4) 0.14413(4) 0.0283(2) Uani 1 1 d . . . . .
P2 P 0.63046(6) 0.24552(4) 0.06746(4) 0.02210(19) Uani 1 1 d . . . . .
O1 O 0.68796(15) 0.25057(10) 0.00690(9) 0.0271(5) Uani 1 1 d . . . . .
O2 O 0.70637(15) 0.21357(10) 0.10027(9) 0.0251(5) Uani 1 1 d . . . . .
O3 O 0.62311(14) 0.31336(10) 0.09175(9) 0.0252(5) Uani 1 1 d . . . . .
B1 B 0.2427(3) 0.21332(17) 0.07982(16) 0.0232(8) Uani 1 1 d . . . . .
C1 C 0.3814(2) 0.15204(15) 0.12470(13) 0.0231(7) Uani 1 1 d . . . . .
C2 C 0.2918(2) 0.15945(14) 0.11701(13) 0.0220(7) Uani 1 1 d . . . . .
C3 C 0.4135(2) 0.11045(15) 0.16698(14) 0.0268(8) Uani 1 1 d . . . . .
C4 C 0.3761(2) 0.12289(17) 0.22104(15) 0.0345(9) Uani 1 1 d . . . . .
H4 H 0.326723 0.156173 0.230595 0.041 Uiso 1 1 calc R U . . .
C5 C 0.4090(3) 0.0880(2) 0.26132(17) 0.0470(11) Uani 1 1 d . . . . .
H5 H 0.383396 0.097806 0.298057 0.056 Uiso 1 1 calc R U . . .
C6 C 0.4786(3) 0.0393(2) 0.2479(2) 0.0567(13) Uani 1 1 d . . . . .
H6 H 0.499379 0.013743 0.275351 0.068 Uiso 1 1 calc R U . . .
C7 C 0.5182(3) 0.0273(2) 0.1949(2) 0.0558(13) Uani 1 1 d . . . . .
H7 H 0.568004 -0.005833 0.185916 0.067 Uiso 1 1 calc R U . . .
C8 C 0.4872(3) 0.06262(17) 0.15382(17) 0.0399(10) Uani 1 1 d . . . . .
H8 H 0.516163 0.054112 0.117192 0.048 Uiso 1 1 calc R U . . .
C9 C 0.1209(2) 0.13209(16) 0.10168(14) 0.0296(8) Uani 1 1 d . . . . .
C10 C 0.1479(2) 0.18485(15) 0.07050(13) 0.0244(7) Uani 1 1 d . . . . .
C11 C 0.0901(2) 0.20699(16) 0.03515(14) 0.0298(8) Uani 1 1 d . . . . .
H11 H 0.105626 0.242715 0.013279 0.036 Uiso 1 1 calc R U . . .
C12 C 0.0110(2) 0.17886(17) 0.03074(15) 0.0353(9) Uani 1 1 d . . . . .
H12 H -0.027053 0.195524 0.006355 0.042 Uiso 1 1 calc R U . . .
C13 C -0.0131(2) 0.12629(18) 0.06185(16) 0.0390(10) Uani 1 1 d . . . . .
H13 H -0.067552 0.107022 0.058782 0.047 Uiso 1 1 calc R U . . .
C14 C 0.0419(2) 0.10219(18) 0.09703(16) 0.0384(10) Uani 1 1 d . . . . .
H14 H 0.026667 0.065752 0.117948 0.046 Uiso 1 1 calc R U . . .
C15 C 0.2382(3) 0.02384(16) 0.13035(16) 0.0390(10) Uani 1 1 d . . . . .
H15 H 0.177802 0.005999 0.129029 0.047 Uiso 1 1 calc R U . . .
C16 C 0.3004(3) 0.01582(18) 0.07411(17) 0.0515(11) Uani 1 1 d . . . . .
H16A H 0.363446 0.028872 0.073452 0.077 Uiso 1 1 calc R U . . .
H16B H 0.270434 0.041536 0.048451 0.077 Uiso 1 1 calc R U . . .
H16C H 0.307414 -0.028144 0.064117 0.077 Uiso 1 1 calc R U . . .
C17 C 0.2789(3) -0.01486(19) 0.17200(17) 0.0504(11) Uani 1 1 d . . . . .
H17A H 0.293968 -0.058282 0.160322 0.076 Uiso 1 1 calc R U . . .
H17B H 0.232088 -0.012954 0.206387 0.076 Uiso 1 1 calc R U . . .
H17C H 0.337323 0.001402 0.176473 0.076 Uiso 1 1 calc R U . . .
C18 C 0.1420(2) 0.11458(18) 0.21489(15) 0.0370(9) Uani 1 1 d . . . . .
H18 H 0.188468 0.097132 0.237039 0.044 Uiso 1 1 calc R U . . .
C19 C 0.1123(3) 0.1829(2) 0.22986(17) 0.0594(13) Uani 1 1 d . . . . .
H19A H 0.067670 0.201514 0.208157 0.089 Uiso 1 1 calc R U . . .
H19B H 0.168956 0.205566 0.222902 0.089 Uiso 1 1 calc R U . . .
H19C H 0.081131 0.185488 0.268146 0.089 Uiso 1 1 calc R U . . .
C20 C 0.0546(3) 0.0766(2) 0.22913(18) 0.0658(15) Uani 1 1 d . . . . .
H20A H 0.026198 0.079689 0.267754 0.099 Uiso 1 1 calc R U . . .
H20B H 0.075222 0.032674 0.220070 0.099 Uiso 1 1 calc R U . . .
H20C H 0.007063 0.093279 0.208565 0.099 Uiso 1 1 calc R U . . .
C21 C 0.2085(2) 0.27625(15) 0.11734(13) 0.0244(7) Uani 1 1 d . . . . .
C22 C 0.1191(2) 0.31025(16) 0.12151(14) 0.0317(8) Uani 1 1 d . . . . .
H22 H 0.080153 0.301084 0.097855 0.038 Uiso 1 1 calc R U . . .
C23 C 0.0851(3) 0.35660(18) 0.15863(16) 0.0381(9) Uani 1 1 d . . . . .
C24 C 0.1381(3) 0.37049(18) 0.19462(16) 0.0421(10) Uani 1 1 d . . . . .
H24 H 0.113192 0.400897 0.221511 0.051 Uiso 1 1 calc R U . . .
C25 C 0.2287(3) 0.33888(17) 0.19055(15) 0.0352(9) Uani 1 1 d . . . . .
C26 C 0.2632(2) 0.29395(16) 0.15206(14) 0.0304(8) Uani 1 1 d . . . . .
H26 H 0.326501 0.274271 0.149003 0.036 Uiso 1 1 calc R U . . .
C27 C -0.0124(4) 0.3899(3) 0.1621(2) 0.0697(14) Uani 1 1 d D U . . .
F1 F -0.0141(7) 0.4213(5) 0.1116(3) 0.097(3) Uani 0.482(9) 1 d D U P A 1
F2 F -0.0792(5) 0.3528(4) 0.1632(6) 0.105(3) Uani 0.482(9) 1 d D U P A 1
F3 F -0.0406(9) 0.4360(6) 0.1939(4) 0.103(4) Uani 0.482(9) 1 d D U P A 1
F1' F -0.0508(6) 0.3835(6) 0.1231(4) 0.113(4) Uani 0.518(9) 1 d D U P A 2
F2' F -0.0740(4) 0.3692(4) 0.2083(4) 0.097(3) Uani 0.518(9) 1 d D U P A 2
F3' F -0.0140(8) 0.4492(4) 0.1732(5) 0.091(3) Uani 0.518(9) 1 d D U P A 2
C28 C 0.2869(3) 0.3515(2) 0.23010(19) 0.0529(12) Uani 1 1 d . . . . .
C29 C 0.3124(2) 0.22468(15) 0.02142(13) 0.0241(7) Uani 1 1 d . . . . .
C30 C 0.3685(2) 0.17422(17) -0.00572(15) 0.0318(8) Uani 1 1 d . . . . .
H30 H 0.370390 0.134693 0.012172 0.038 Uiso 1 1 calc R U . . .
C31 C 0.4218(3) 0.17926(19) -0.05795(16) 0.0383(9) Uani 1 1 d . . . . .
C32 C 0.4218(3) 0.2360(2) -0.08482(15) 0.0389(10) Uani 1 1 d . . . . .
H32 H 0.458378 0.239686 -0.120507 0.047 Uiso 1 1 calc R U . . .
C33 C 0.3674(2) 0.28766(18) -0.05880(15) 0.0332(9) Uani 1 1 d . . . . .
C34 C 0.3142(2) 0.28146(16) -0.00676(14) 0.0258(8) Uani 1 1 d . . . . .
H34 H 0.277394 0.317361 0.010353 0.031 Uiso 1 1 calc R U . . .
C35 C 0.4822(4) 0.1239(3) -0.0836(2) 0.0702(14) Uani 1 1 d D U . . .
F7 F 0.5331(8) 0.1325(4) -0.1322(3) 0.108(3) Uani 0.587(12) 1 d D U P B 1
F8 F 0.4430(11) 0.0726(6) -0.0788(6) 0.100(4) Uani 0.587(12) 1 d D U P B 1
F9 F 0.5550(6) 0.1085(5) -0.0552(4) 0.111(3) Uani 0.587(12) 1 d D U P B 1
F7' F 0.4655(13) 0.1202(5) -0.1359(4) 0.107(4) Uani 0.413(12) 1 d D U P B 2
F8' F 0.4571(15) 0.0708(7) -0.0613(7) 0.084(4) Uani 0.413(12) 1 d D U P B 2
F9' F 0.5717(6) 0.1230(5) -0.0888(7) 0.102(4) Uani 0.413(12) 1 d D U P B 2
C37 C 0.7756(2) 0.27628(15) -0.01391(14) 0.0263(8) Uani 1 1 d . . . . .
C38 C 0.8192(2) 0.30580(16) 0.01941(15) 0.0315(8) Uani 1 1 d . . . . .
H38 H 0.791961 0.307543 0.056939 0.038 Uiso 1 1 calc R U . . .
C39 C 0.9026(2) 0.33307(17) -0.00130(16) 0.0352(9) Uani 1 1 d . . . . .
H39 H 0.931116 0.353944 0.022166 0.042 Uiso 1 1 calc R U . . .
C40 C 0.9446(2) 0.33024(19) -0.05536(16) 0.0388(10) Uani 1 1 d . . . . .
C41 C 0.9002(2) 0.29847(19) -0.08740(15) 0.0397(10) Uani 1 1 d . . . . .
H41 H 0.929421 0.295325 -0.124613 0.048 Uiso 1 1 calc R U . . .
C42 C 0.8159(2) 0.27078(16) -0.06923(14) 0.0280(8) Uani 1 1 d . . . . .
C43 C 1.0378(3) 0.3585(2) -0.07997(17) 0.0512(12) Uani 1 1 d . . . . .
C44 C 1.0719(3) 0.3936(3) -0.0387(2) 0.0797(17) Uani 1 1 d . . . . .
H44A H 1.133162 0.408856 -0.055302 0.120 Uiso 1 1 calc R U . . .
H44B H 1.079819 0.365555 -0.008310 0.120 Uiso 1 1 calc R U . . .
H44C H 1.024626 0.429071 -0.025717 0.120 Uiso 1 1 calc R U . . .
C45 C 1.1151(3) 0.3064(3) -0.10217(18) 0.0692(16) Uani 1 1 d . . . . .
H45A H 1.094620 0.283695 -0.129382 0.104 Uiso 1 1 calc R U . . .
H45B H 1.126267 0.277667 -0.072812 0.104 Uiso 1 1 calc R U . . .
H45C H 1.174354 0.324365 -0.118623 0.104 Uiso 1 1 calc R U . . .
C46 C 1.0240(3) 0.4021(3) -0.1274(2) 0.089(2) Uani 1 1 d . . . . .
H46A H 1.082988 0.421304 -0.141841 0.133 Uiso 1 1 calc R U . . .
H46B H 0.971566 0.434822 -0.115066 0.133 Uiso 1 1 calc R U . . .
H46C H 1.008810 0.378116 -0.155647 0.133 Uiso 1 1 calc R U . . .
C47 C 0.7739(3) 0.23437(18) -0.10757(14) 0.0354(9) Uani 1 1 d . . . . .
C48 C 0.8336(3) 0.2358(2) -0.16565(16) 0.0607(13) Uani 1 1 d . . . . .
H48A H 0.899024 0.217045 -0.166285 0.091 Uiso 1 1 calc R U . . .
H48B H 0.834790 0.279099 -0.178799 0.091 Uiso 1 1 calc R U . . .
H48C H 0.805125 0.212054 -0.188833 0.091 Uiso 1 1 calc R U . . .
C49 C 0.6728(3) 0.2626(2) -0.10961(17) 0.0498(11) Uani 1 1 d . . . . .
H49A H 0.647478 0.238349 -0.133900 0.075 Uiso 1 1 calc R U . . .
H49B H 0.674204 0.305881 -0.122833 0.075 Uiso 1 1 calc R U . . .
H49C H 0.631812 0.261661 -0.073402 0.075 Uiso 1 1 calc R U . . .
C50 C 0.7744(4) 0.16586(19) -0.08943(18) 0.0614(13) Uani 1 1 d . . . . .
H50A H 0.837536 0.150273 -0.083075 0.092 Uiso 1 1 calc R U . . .
H50B H 0.759929 0.141235 -0.117525 0.092 Uiso 1 1 calc R U . . .
H50C H 0.726010 0.162163 -0.056072 0.092 Uiso 1 1 calc R U . . .
C51 C 0.7282(2) 0.14832(15) 0.10342(13) 0.0227(7) Uani 1 1 d . . . . .
C52 C 0.7507(2) 0.12247(15) 0.15087(13) 0.0250(7) Uani 1 1 d . . . . .
C53 C 0.7793(2) 0.05867(16) 0.15000(14) 0.0291(8) Uani 1 1 d . . . . .
H53 H 0.795944 0.039860 0.181532 0.035 Uiso 1 1 calc R U . . .
C54 C 0.7853(2) 0.02012(15) 0.10651(14) 0.0286(8) Uani 1 1 d . . . . .
C55 C 0.7589(2) 0.04850(16) 0.06153(15) 0.0329(9) Uani 1 1 d . . . . .
H55 H 0.759628 0.024049 0.031226 0.040 Uiso 1 1 calc R U . . .
C56 C 0.7313(2) 0.11226(16) 0.06007(14) 0.0308(8) Uani 1 1 d . . . . .
H56 H 0.714389 0.131029 0.028580 0.037 Uiso 1 1 calc R U . . .
C57 C 0.7436(2) 0.16123(16) 0.20103(14) 0.0304(8) Uani 1 1 d . . . . .
C58 C 0.6392(3) 0.18935(18) 0.22071(15) 0.0447(10) Uani 1 1 d . . . . .
H58A H 0.618063 0.214104 0.191502 0.067 Uiso 1 1 calc R U . . .
H58B H 0.634570 0.216204 0.251500 0.067 Uiso 1 1 calc R U . . .
H58C H 0.598518 0.155626 0.231650 0.067 Uiso 1 1 calc R U . . .
C59 C 0.8115(3) 0.21244(18) 0.18784(16) 0.0446(10) Uani 1 1 d . . . . .
H59A H 0.876411 0.193414 0.172566 0.067 Uiso 1 1 calc R U . . .
H59B H 0.811325 0.234297 0.220851 0.067 Uiso 1 1 calc R U . . .
H59C H 0.790167 0.242231 0.161685 0.067 Uiso 1 1 calc R U . . .
C60 C 0.7717(3) 0.12064(18) 0.24716(14) 0.0450(10) Uani 1 1 d . . . . .
H60A H 0.729602 0.087421 0.256292 0.068 Uiso 1 1 calc R U . . .
H60B H 0.765398 0.146507 0.278756 0.068 Uiso 1 1 calc R U . . .
H60C H 0.838058 0.102040 0.235893 0.068 Uiso 1 1 calc R U . . .
C61 C 0.8229(3) -0.04905(17) 0.10877(16) 0.0382(9) Uani 1 1 d . . . . .
C62 C 0.8051(4) -0.08488(19) 0.0626(2) 0.0663(14) Uani 1 1 d . . . . .
H62A H 0.841580 -0.069350 0.028443 0.099 Uiso 1 1 calc R U . . .
H62B H 0.736792 -0.079056 0.062463 0.099 Uiso 1 1 calc R U . . .
H62C H 0.825308 -0.129378 0.067113 0.099 Uiso 1 1 calc R U . . .
C63 C 0.9294(3) -0.0546(2) 0.1071(3) 0.089(2) Uani 1 1 d . . . . .
H63A H 0.962724 -0.036448 0.073251 0.133 Uiso 1 1 calc R U . . .
H63B H 0.953715 -0.098779 0.109559 0.133 Uiso 1 1 calc R U . . .
H63C H 0.940590 -0.032299 0.137508 0.133 Uiso 1 1 calc R U . . .
C64 C 0.7733(4) -0.0807(2) 0.16111(19) 0.0751(16) Uani 1 1 d . . . . .
H64A H 0.803220 -0.123588 0.163286 0.113 Uiso 1 1 calc R U . . .
H64B H 0.705437 -0.081227 0.161251 0.113 Uiso 1 1 calc R U . . .
H64C H 0.779577 -0.057351 0.192128 0.113 Uiso 1 1 calc R U . . .
C65 C 0.3714(3) 0.3483(2) -0.08819(17) 0.0431(10) Uani 1 1 d . . . . .
C66 C 0.5497(2) 0.36117(15) 0.08737(14) 0.0258(8) Uani 1 1 d . . . . .
C67 C 0.5375(2) 0.41358(16) 0.11999(14) 0.0276(8) Uani 1 1 d . . . . .
C68 C 0.4647(2) 0.45909(16) 0.11331(15) 0.0326(9) Uani 1 1 d . . . . .
H68 H 0.454368 0.495241 0.134797 0.039 Uiso 1 1 calc R U . . .
C69 C 0.4056(2) 0.45548(16) 0.07729(15) 0.0330(9) Uani 1 1 d . . . . .
C70 C 0.4222(3) 0.40294(17) 0.04632(16) 0.0386(9) Uani 1 1 d . . . . .
H70 H 0.382997 0.398537 0.021519 0.046 Uiso 1 1 calc R U . . .
C71 C 0.4945(2) 0.35653(16) 0.05054(15) 0.0352(9) Uani 1 1 d . . . . .
H71 H 0.506018 0.321292 0.027908 0.042 Uiso 1 1 calc R U . . .
C72 C 0.6018(3) 0.42219(17) 0.15955(15) 0.0364(9) Uani 1 1 d . . . . .
C73 C 0.7041(3) 0.4279(2) 0.12852(18) 0.0585(13) Uani 1 1 d . . . . .
H73A H 0.704215 0.462681 0.102498 0.088 Uiso 1 1 calc R U . . .
H73B H 0.730132 0.389049 0.109395 0.088 Uiso 1 1 calc R U . . .
H73C H 0.743666 0.435562 0.153814 0.088 Uiso 1 1 calc R U . . .
C74 C 0.5999(3) 0.36765(19) 0.19994(16) 0.0546(12) Uani 1 1 d . . . . .
H74A H 0.633075 0.376824 0.227912 0.082 Uiso 1 1 calc R U . . .
H74B H 0.631880 0.329622 0.181270 0.082 Uiso 1 1 calc R U . . .
H74C H 0.533472 0.361534 0.216539 0.082 Uiso 1 1 calc R U . . .
C75 C 0.5675(3) 0.48188(18) 0.19220(17) 0.0535(12) Uani 1 1 d . . . . .
H75A H 0.608045 0.485067 0.217969 0.080 Uiso 1 1 calc R U . . .
H75B H 0.501175 0.480405 0.211718 0.080 Uiso 1 1 calc R U . . .
H75C H 0.571433 0.518281 0.167756 0.080 Uiso 1 1 calc R U . . .
C76 C 0.3254(2) 0.50691(17) 0.07128(17) 0.0408(10) Uani 1 1 d . . . . .
C77 C 0.2303(3) 0.4810(2) 0.0908(3) 0.101(2) Uani 1 1 d . . . . .
H77A H 0.178399 0.513299 0.087214 0.152 Uiso 1 1 calc R U . . .
H77B H 0.223306 0.468036 0.128739 0.152 Uiso 1 1 calc R U . . .
H77C H 0.227821 0.444961 0.069208 0.152 Uiso 1 1 calc R U . . .
C78 C 0.3233(4) 0.5634(2) 0.1061(3) 0.101(2) Uani 1 1 d . . . . .
H78A H 0.270616 0.594626 0.101436 0.152 Uiso 1 1 calc R U . . .
H78B H 0.383922 0.581680 0.095068 0.152 Uiso 1 1 calc R U . . .
H78C H 0.314089 0.550199 0.144003 0.152 Uiso 1 1 calc R U . . .
C79 C 0.3406(4) 0.5297(3) 0.0142(2) 0.112(3) Uani 1 1 d . . . . .
H79A H 0.337010 0.495424 -0.009089 0.168 Uiso 1 1 calc R U . . .
H79B H 0.403596 0.544827 0.003457 0.168 Uiso 1 1 calc R U . . .
H79C H 0.291043 0.563804 0.010845 0.168 Uiso 1 1 calc R U . . .
F4 F 0.2364(3) 0.3565(2) 0.27899(12) 0.1316(16) Uani 1 1 d . . . . .
F5 F 0.3231(2) 0.40543(14) 0.22126(13) 0.0900(10) Uani 1 1 d . . . . .
F6 F 0.3597(3) 0.31119(16) 0.23032(16) 0.1365(17) Uani 1 1 d . . . . .
F10 F 0.45719(16) 0.36965(12) -0.09456(11) 0.0691(8) Uani 1 1 d . . . . .
F11 F 0.35773(19) 0.34494(14) -0.13842(10) 0.0751(9) Uani 1 1 d . . . . .
F12 F 0.30760(17) 0.39328(11) -0.06458(10) 0.0611(7) Uani 1 1 d . . . . .
Au2 Au 0.05534(2) 0.70041(2) 0.40966(2) 0.02086(4) Uani 1 1 d . . . . .
P3 P -0.19093(6) 0.61704(4) 0.34586(4) 0.02393(19) Uani 1 1 d . . . . .
P4 P 0.17306(6) 0.74710(4) 0.43181(3) 0.01959(18) Uani 1 1 d . . . . .
O4 O 0.27487(14) 0.71825(9) 0.39819(9) 0.0214(5) Uani 1 1 d . . . . .
O5 O 0.18346(14) 0.74770(10) 0.49261(8) 0.0229(5) Uani 1 1 d . . . . .
O6 O 0.18235(14) 0.81704(9) 0.41004(9) 0.0226(5) Uani 1 1 d . . . . .
B2 B -0.1972(3) 0.71419(17) 0.41634(15) 0.0218(8) Uani 1 1 d . . . . .
C80 C -0.0260(2) 0.65543(14) 0.36930(13) 0.0208(7) Uani 1 1 d . . . . .
C81 C -0.1217(2) 0.66405(14) 0.37601(12) 0.0194(7) Uani 1 1 d . . . . .
C82 C 0.0400(2) 0.61336(15) 0.32937(14) 0.0245(7) Uani 1 1 d . . . . .
C83 C 0.0498(2) 0.62412(17) 0.27410(14) 0.0314(8) Uani 1 1 d . . . . .
H83 H 0.010991 0.657535 0.261499 0.038 Uiso 1 1 calc R U . . .
C84 C 0.1152(3) 0.58668(19) 0.23741(16) 0.0427(10) Uani 1 1 d . . . . .
H84 H 0.121333 0.594830 0.199908 0.051 Uiso 1 1 calc R U . . .
C85 C 0.1716(3) 0.53769(19) 0.25484(17) 0.0452(10) Uani 1 1 d . . . . .
H85 H 0.215491 0.511605 0.229474 0.054 Uiso 1 1 calc R U . . .
C86 C 0.1640(3) 0.52670(18) 0.30938(17) 0.0427(10) Uani 1 1 d . . . . .
H86 H 0.202457 0.492877 0.321648 0.051 Uiso 1 1 calc R U . . .
C87 C 0.1002(2) 0.56497(15) 0.34614(15) 0.0309(8) Uani 1 1 d . . . . .
H87 H 0.097364 0.558152 0.383543 0.037 Uiso 1 1 calc R U . . .
C88 C -0.3043(2) 0.63905(15) 0.38945(13) 0.0248(7) Uani 1 1 d . . . . .
C89 C -0.2997(2) 0.68615(14) 0.42459(13) 0.0230(7) Uani 1 1 d . . . . .
C90 C -0.3830(2) 0.70337(16) 0.46297(14) 0.0295(8) Uani 1 1 d . . . . .
H90 H -0.382415 0.734467 0.488208 0.035 Uiso 1 1 calc R U . . .
C91 C -0.4663(2) 0.67662(17) 0.46539(15) 0.0341(9) Uani 1 1 d . . . . .
H91 H -0.522232 0.690438 0.491336 0.041 Uiso 1 1 calc R U . . .
C92 C -0.4690(2) 0.63000(17) 0.43045(15) 0.0344(9) Uani 1 1 d . . . . .
H92 H -0.526185 0.611208 0.432760 0.041 Uiso 1 1 calc R U . . .
C93 C -0.3881(2) 0.61080(17) 0.39209(15) 0.0319(8) Uani 1 1 d . . . . .
H93 H -0.389176 0.578817 0.367755 0.038 Uiso 1 1 calc R U . . .
C94 C -0.1953(2) 0.63477(17) 0.27537(14) 0.0335(9) Uani 1 1 d . . . . .
H94 H -0.131728 0.619162 0.252669 0.040 Uiso 1 1 calc R U . . .
C95 C -0.2111(3) 0.70472(19) 0.26554(16) 0.0505(11) Uani 1 1 d . . . . .
H95A H -0.211174 0.713075 0.227413 0.076 Uiso 1 1 calc R U . . .
H95B H -0.159738 0.724759 0.275175 0.076 Uiso 1 1 calc R U . . .
H95C H -0.272706 0.721473 0.287694 0.076 Uiso 1 1 calc R U . . .
C96 C -0.2716(3) 0.6013(2) 0.25755(16) 0.0540(12) Uani 1 1 d . . . . .
H96A H -0.335234 0.618086 0.277125 0.081 Uiso 1 1 calc R U . . .
H96B H -0.261307 0.556438 0.265429 0.081 Uiso 1 1 calc R U . . .
H96C H -0.266737 0.607941 0.218772 0.081 Uiso 1 1 calc R U . . .
C97 C -0.1702(2) 0.53186(15) 0.35355(15) 0.0324(9) Uani 1 1 d . . . . .
H97 H -0.232058 0.516070 0.352029 0.039 Uiso 1 1 calc R U . . .
C98 C -0.0961(3) 0.49768(18) 0.31005(17) 0.0463(11) Uani 1 1 d . . . . .
H98A H -0.032797 0.509246 0.310889 0.070 Uiso 1 1 calc R U . . .
H98B H -0.110583 0.509052 0.274820 0.070 Uiso 1 1 calc R U . . .
H98C H -0.096926 0.452562 0.316193 0.070 Uiso 1 1 calc R U . . .
C99 C -0.1556(3) 0.51567(17) 0.41056(16) 0.0430(10) Uani 1 1 d . . . . .
H99A H -0.158959 0.470889 0.417704 0.065 Uiso 1 1 calc R U . . .
H99B H -0.205578 0.539437 0.436797 0.065 Uiso 1 1 calc R U . . .
H99C H -0.092825 0.526344 0.413615 0.065 Uiso 1 1 calc R U . . .
C100 C -0.1713(2) 0.71758(15) 0.47494(13) 0.0227(7) Uani 1 1 d . . . . .
C101 C -0.1915(2) 0.76980(15) 0.50727(13) 0.0238(7) Uani 1 1 d . . . . .
H101 H -0.217157 0.807927 0.493324 0.029 Uiso 1 1 calc R U . . .
C102 C -0.1757(2) 0.76851(17) 0.55920(14) 0.0286(8) Uani 1 1 d . . . . .
C103 C -0.1383(2) 0.71387(17) 0.58085(15) 0.0325(9) Uani 1 1 d . . . . .
H103 H -0.128045 0.712604 0.616481 0.039 Uiso 1 1 calc R U . . .
C104 C -0.1164(2) 0.66127(17) 0.54959(15) 0.0313(8) Uani 1 1 d . . . . .
C105 C -0.1328(2) 0.66311(16) 0.49798(14) 0.0274(8) Uani 1 1 d . . . . .
H105 H -0.117461 0.626141 0.477397 0.033 Uiso 1 1 calc R U . . .
C106 C -0.1950(3) 0.82592(19) 0.59265(16) 0.0390(10) Uani 1 1 d . . . . .
C107 C -0.0716(3) 0.6015(2) 0.56896(18) 0.0488(11) Uani 1 1 d . . . . .
C108 C -0.2032(2) 0.78189(15) 0.38441(13) 0.0239(7) Uani 1 1 d . . . . .
C109 C -0.1226(2) 0.80438(15) 0.35133(14) 0.0284(8) Uani 1 1 d . . . . .
H109 H -0.061568 0.782772 0.351721 0.034 Uiso 1 1 calc R U . . .
C110 C -0.1275(3) 0.85634(16) 0.31823(14) 0.0327(8) Uani 1 1 d . . . . .
C111 C -0.2150(3) 0.89026(17) 0.31815(15) 0.0400(10) Uani 1 1 d . . . . .
H111 H -0.219333 0.926177 0.295537 0.048 Uiso 1 1 calc R U . . .
C112 C -0.2949(3) 0.87094(18) 0.35132(16) 0.0396(10) Uani 1 1 d . . . . .
C113 C -0.2893(2) 0.81794(16) 0.38342(14) 0.0305(8) Uani 1 1 d . . . . .
H113 H -0.346399 0.805622 0.405681 0.037 Uiso 1 1 calc R U . . .
C114 C -0.0411(3) 0.8730(2) 0.27895(17) 0.0486(11) Uani 1 1 d . . . . .
C115 C -0.3909(8) 0.9067(4) 0.3545(4) 0.0727(19) Uani 0.723(6) 1 d D U P C 1
F22 F -0.3840(4) 0.9567(3) 0.3202(3) 0.104(2) Uani 0.723(6) 1 d D U P C 1
F23 F -0.4477(4) 0.8724(3) 0.3360(4) 0.119(2) Uani 0.723(6) 1 d D U P C 1
F24 F -0.4342(3) 0.9277(3) 0.40058(19) 0.0963(19) Uani 0.723(6) 1 d D U P C 1
C215 C -0.3905(17) 0.9022(10) 0.3467(8) 0.077(3) Uani 0.277(6) 1 d D U P C 2
F22' F -0.4099(9) 0.8972(7) 0.2972(5) 0.092(3) Uani 0.277(6) 1 d D U P C 2
F23' F -0.4663(8) 0.8770(7) 0.3769(6) 0.083(4) Uani 0.277(6) 1 d D U P C 2
F24' F -0.4031(13) 0.9613(7) 0.3519(8) 0.107(4) Uani 0.277(6) 1 d D U P C 2
C116 C 0.3010(2) 0.65316(14) 0.39412(13) 0.0207(7) Uani 1 1 d . . . . .
C117 C 0.2765(2) 0.61516(16) 0.43866(14) 0.0268(8) Uani 1 1 d . . . . .
H117 H 0.237460 0.632282 0.470935 0.032 Uiso 1 1 calc R U . . .
C118 C 0.3087(2) 0.55187(16) 0.43667(15) 0.0311(8) Uani 1 1 d . . . . .
H118 H 0.290397 0.525851 0.467385 0.037 Uiso 1 1 calc R U . . .
C119 C 0.3672(2) 0.52648(15) 0.39040(14) 0.0265(8) Uani 1 1 d . . . . .
C120 C 0.3873(2) 0.56624(15) 0.34610(14) 0.0266(8) Uani 1 1 d . . . . .
H120 H 0.425462 0.548748 0.313724 0.032 Uiso 1 1 calc R U . . .
C121 C 0.3561(2) 0.62988(15) 0.34528(13) 0.0230(7) Uani 1 1 d . . . . .
C122 C 0.4101(3) 0.45816(17) 0.38884(16) 0.0380(9) Uani 1 1 d D U . . .
C123 C 0.3811(6) 0.4245(3) 0.3425(3) 0.057(2) Uani 0.713(8) 1 d D U P D 1
H12A H 0.311367 0.425812 0.349562 0.086 Uiso 0.713(8) 1 calc R U P D 1
H12B H 0.409667 0.380971 0.340935 0.086 Uiso 0.713(8) 1 calc R U P D 1
H12C H 0.404112 0.445724 0.308101 0.086 Uiso 0.713(8) 1 calc R U P D 1
C124 C 0.5193(4) 0.4560(3) 0.3737(4) 0.073(3) Uani 0.713(8) 1 d D U P D 1
H12D H 0.538462 0.477751 0.339085 0.109 Uiso 0.713(8) 1 calc R U P D 1
H12E H 0.547700 0.412381 0.370681 0.109 Uiso 0.713(8) 1 calc R U P D 1
H12F H 0.541574 0.476340 0.401573 0.109 Uiso 0.713(8) 1 calc R U P D 1
C125 C 0.3771(6) 0.4219(3) 0.4399(3) 0.066(2) Uani 0.713(8) 1 d D U P D 1
H12G H 0.392873 0.442065 0.470134 0.099 Uiso 0.713(8) 1 calc R U P D 1
H12H H 0.409171 0.379194 0.436516 0.099 Uiso 0.713(8) 1 calc R U P D 1
H12I H 0.307843 0.420773 0.446451 0.099 Uiso 0.713(8) 1 calc R U P D 1
C223 C 0.4814(11) 0.4517(6) 0.4292(7) 0.058(5) Uani 0.287(8) 1 d D U P D 2
H22A H 0.501538 0.407481 0.434986 0.087 Uiso 0.287(8) 1 calc R U P D 2
H22B H 0.448699 0.470475 0.463732 0.087 Uiso 0.287(8) 1 calc R U P D 2
H22C H 0.537537 0.473325 0.413694 0.087 Uiso 0.287(8) 1 calc R U P D 2
C224 C 0.4606(13) 0.4355(7) 0.3343(5) 0.060(5) Uani 0.287(8) 1 d D U P D 2
H22D H 0.422324 0.450213 0.307992 0.090 Uiso 0.287(8) 1 calc R U P D 2
H22E H 0.469607 0.389748 0.334875 0.090 Uiso 0.287(8) 1 calc R U P D 2
H22F H 0.522959 0.451622 0.324291 0.090 Uiso 0.287(8) 1 calc R U P D 2
C225 C 0.3339(10) 0.4160(7) 0.4141(8) 0.056(4) Uani 0.287(8) 1 d D U P D 2
H22G H 0.292401 0.411791 0.389055 0.085 Uiso 0.287(8) 1 calc R U P D 2
H22H H 0.295660 0.434327 0.447652 0.085 Uiso 0.287(8) 1 calc R U P D 2
H22I H 0.364675 0.374756 0.421861 0.085 Uiso 0.287(8) 1 calc R U P D 2
C126 C 0.3797(2) 0.67092(16) 0.29476(14) 0.0311(8) Uani 1 1 d . . . . .
C127 C 0.4414(3) 0.72121(18) 0.30384(16) 0.0430(10) Uani 1 1 d . . . . .
H12J H 0.406770 0.747136 0.334184 0.065 Uiso 1 1 calc R U . . .
H12K H 0.455502 0.747433 0.271294 0.065 Uiso 1 1 calc R U . . .
H12L H 0.501289 0.701163 0.311838 0.065 Uiso 1 1 calc R U . . .
C128 C 0.2872(3) 0.70125(18) 0.27960(15) 0.0410(10) Uani 1 1 d . . . . .
H12M H 0.252582 0.730063 0.307865 0.061 Uiso 1 1 calc R U . . .
H12N H 0.246973 0.668735 0.275922 0.061 Uiso 1 1 calc R U . . .
H12O H 0.303003 0.724279 0.245368 0.061 Uiso 1 1 calc R U . . .
C129 C 0.4362(3) 0.63286(19) 0.24606(15) 0.0504(11) Uani 1 1 d . . . . .
H12P H 0.450518 0.660688 0.214570 0.076 Uiso 1 1 calc R U . . .
H12Q H 0.398177 0.600868 0.238484 0.076 Uiso 1 1 calc R U . . .
H12R H 0.496093 0.612758 0.254072 0.076 Uiso 1 1 calc R U . . .
C130 C 0.2561(2) 0.77129(14) 0.51342(13) 0.0222(7) Uani 1 1 d . . . . .
C131 C 0.3286(2) 0.79936(15) 0.47961(14) 0.0266(8) Uani 1 1 d . . . . .
H131 H 0.331455 0.801804 0.441949 0.032 Uiso 1 1 calc R U . . .
C132 C 0.3975(2) 0.82405(16) 0.50047(14) 0.0291(8) Uani 1 1 d . . . . .
H132 H 0.446683 0.843618 0.476856 0.035 Uiso 1 1 calc R U . . .
C133 C 0.3956(2) 0.82060(17) 0.55463(14) 0.0301(8) Uani 1 1 d . . . . .
C134 C 0.3223(2) 0.79056(17) 0.58705(14) 0.0325(9) Uani 1 1 d . . . . .
H134 H 0.320798 0.787301 0.624554 0.039 Uiso 1 1 calc R U . . .
C135 C 0.2511(2) 0.76490(16) 0.56857(14) 0.0272(8) Uani 1 1 d . . . . .
C136 C 0.4689(3) 0.84751(19) 0.57959(15) 0.0388(10) Uani 1 1 d . . . . .
C137 C 0.5414(3) 0.8803(2) 0.53751(17) 0.0513(12) Uani 1 1 d . . . . .
H13A H 0.577667 0.850006 0.510963 0.077 Uiso 1 1 calc R U . . .
H13B H 0.585391 0.898349 0.555406 0.077 Uiso 1 1 calc R U . . .
H13C H 0.507565 0.913623 0.519304 0.077 Uiso 1 1 calc R U . . .
C138 C 0.5228(3) 0.7952(2) 0.60726(17) 0.0546(12) Uani 1 1 d . . . . .
H13D H 0.477408 0.775518 0.635611 0.082 Uiso 1 1 calc R U . . .
H13E H 0.569741 0.812770 0.623189 0.082 Uiso 1 1 calc R U . . .
H13F H 0.555690 0.763985 0.580677 0.082 Uiso 1 1 calc R U . . .
C139 C 0.4171(3) 0.8955(2) 0.62193(18) 0.0578(13) Uani 1 1 d . . . . .
H13G H 0.385597 0.930523 0.604374 0.087 Uiso 1 1 calc R U . . .
H13H H 0.463518 0.910801 0.639725 0.087 Uiso 1 1 calc R U . . .
H13I H 0.369194 0.875784 0.648766 0.087 Uiso 1 1 calc R U . . .
C140 C 0.1737(3) 0.73221(18) 0.60766(14) 0.0362(9) Uani 1 1 d . . . . .
C141 C 0.1874(3) 0.7310(3) 0.66548(16) 0.0739(17) Uani 1 1 d . . . . .
H14A H 0.250027 0.708970 0.666954 0.111 Uiso 1 1 calc R U . . .
H14B H 0.137164 0.709436 0.688880 0.111 Uiso 1 1 calc R U . . .
H14C H 0.183648 0.773899 0.677722 0.111 Uiso 1 1 calc R U . . .
C142 C 0.0750(3) 0.7681(2) 0.60813(17) 0.0542(12) Uani 1 1 d . . . . .
H14D H 0.074349 0.811124 0.619228 0.081 Uiso 1 1 calc R U . . .
H14E H 0.025865 0.747671 0.633526 0.081 Uiso 1 1 calc R U . . .
H14F H 0.061975 0.768280 0.571944 0.081 Uiso 1 1 calc R U . . .
C143 C 0.1749(3) 0.66481(19) 0.59119(17) 0.0567(12) Uani 1 1 d . . . . .
H14G H 0.155754 0.664419 0.556618 0.085 Uiso 1 1 calc R U . . .
H14H H 0.130302 0.643452 0.618724 0.085 Uiso 1 1 calc R U . . .
H14I H 0.239563 0.643284 0.587658 0.085 Uiso 1 1 calc R U . . .
C144 C 0.1046(2) 0.86425(14) 0.41449(13) 0.0207(7) Uani 1 1 d . . . . .
C145 C 0.0169(2) 0.85511(15) 0.44720(14) 0.0273(8) Uani 1 1 d . . . . .
H145 H 0.008568 0.816838 0.466625 0.033 Uiso 1 1 calc R U . . .
C146 C -0.0586(2) 0.90151(16) 0.45164(14) 0.0283(8) Uani 1 1 d . . . . .
H146 H -0.118587 0.894741 0.474201 0.034 Uiso 1 1 calc R U . . .
C147 C -0.0485(2) 0.95785(15) 0.42376(14) 0.0263(8) Uani 1 1 d . . . . .
C148 C 0.0424(2) 0.96550(15) 0.39235(14) 0.0276(8) Uani 1 1 d . . . . .
H148 H 0.051312 1.004284 0.373864 0.033 Uiso 1 1 calc R U . . .
C149 C 0.1207(2) 0.92003(15) 0.38643(13) 0.0234(7) Uani 1 1 d . . . . .
C150 C -0.1287(2) 1.01159(16) 0.42989(15) 0.0319(8) Uani 1 1 d . . . . .
C151 C -0.1049(3) 1.06173(18) 0.46398(16) 0.0438(10) Uani 1 1 d . . . . .
H15A H -0.101459 1.044312 0.499753 0.066 Uiso 1 1 calc R U . . .
H15B H -0.154826 1.097141 0.467572 0.066 Uiso 1 1 calc R U . . .
H15C H -0.043260 1.075885 0.446458 0.066 Uiso 1 1 calc R U . . .
C152 C -0.1378(3) 1.04017(19) 0.37513(16) 0.0492(11) Uani 1 1 d . . . . .
H15D H -0.077255 1.055466 0.357090 0.074 Uiso 1 1 calc R U . . .
H15E H -0.188778 1.074975 0.380182 0.074 Uiso 1 1 calc R U . . .
H15F H -0.153255 1.008401 0.352970 0.074 Uiso 1 1 calc R U . . .
C153 C -0.2258(2) 0.99006(19) 0.45774(18) 0.0491(11) Uani 1 1 d . . . . .
H15G H -0.240000 0.956193 0.437264 0.074 Uiso 1 1 calc R U . . .
H15H H -0.275889 1.025171 0.459342 0.074 Uiso 1 1 calc R U . . .
H15I H -0.223514 0.975109 0.494361 0.074 Uiso 1 1 calc R U . . .
C154 C 0.2188(2) 0.93358(16) 0.35117(14) 0.0292(8) Uani 1 1 d . . . . .
C155 C 0.2547(3) 0.88488(19) 0.30690(16) 0.0486(11) Uani 1 1 d . . . . .
H15J H 0.315441 0.895359 0.284394 0.073 Uiso 1 1 calc R U . . .
H15K H 0.207464 0.884733 0.284580 0.073 Uiso 1 1 calc R U . . .
H15L H 0.264239 0.843462 0.323477 0.073 Uiso 1 1 calc R U . . .
C156 C 0.2914(3) 0.9342(2) 0.38650(18) 0.0525(12) Uani 1 1 d . . . . .
H15M H 0.350832 0.947819 0.364865 0.079 Uiso 1 1 calc R U . . .
H15N H 0.304375 0.892178 0.401138 0.079 Uiso 1 1 calc R U . . .
H15O H 0.265659 0.963180 0.416180 0.079 Uiso 1 1 calc R U . . .
C157 C 0.2126(3) 0.99771(17) 0.32315(16) 0.0446(10) Uani 1 1 d . . . . .
H15P H 0.196608 1.030392 0.350291 0.067 Uiso 1 1 calc R U . . .
H15Q H 0.162978 1.000351 0.302127 0.067 Uiso 1 1 calc R U . . .
H15R H 0.274274 1.003404 0.299118 0.067 Uiso 1 1 calc R U . . .
F13 F -0.1171(2) 0.55356(12) 0.56506(14) 0.0987(11) Uani 1 1 d . . . . .
F14 F -0.0610(2) 0.60306(13) 0.61924(11) 0.0794(9) Uani 1 1 d . . . . .
F15 F 0.0169(2) 0.58677(14) 0.53938(12) 0.0905(10) Uani 1 1 d . . . . .
F16 F -0.25066(18) 0.87148(12) 0.57532(11) 0.0699(8) Uani 1 1 d . . . . .
F17 F -0.2365(3) 0.81588(14) 0.64289(11) 0.1015(11) Uani 1 1 d . . . . .
F18 F -0.11641(17) 0.85135(12) 0.59321(14) 0.0875(10) Uani 1 1 d . . . . .
F19 F 0.04076(18) 0.84825(16) 0.29043(12) 0.0887(10) Uani 1 1 d . . . . .
F20 F -0.0356(2) 0.93428(13) 0.27359(13) 0.1116(13) Uani 1 1 d . . . . .
F21 F -0.03735(19) 0.85363(15) 0.22995(10) 0.0773(9) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 C1 2.054(3) . ?
Au1 P2 2.2555(8) . ?
P1 C9 1.793(3) . ?
P1 C2 1.816(3) . ?
P1 C18 1.825(4) . ?
P1 C15 1.834(4) . ?
P2 O1 1.587(2) . ?
P2 O3 1.595(2) . ?
P2 O2 1.599(2) . ?
O1 C37 1.425(4) . ?
O2 C51 1.409(4) . ?
O3 C66 1.411(4) . ?
B1 C29 1.628(5) . ?
B1 C10 1.629(5) . ?
B1 C21 1.656(5) . ?
B1 C2 1.663(5) . ?
C1 C2 1.340(4) . ?
C1 C3 1.491(4) . ?
C3 C4 1.388(5) . ?
C3 C8 1.388(5) . ?
C4 C5 1.383(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.365(6) . ?
C5 H5 0.9500 . ?
C6 C7 1.368(6) . ?
C6 H6 0.9500 . ?
C7 C8 1.391(5) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 C14 1.401(4) . ?
C9 C10 1.403(4) . ?
C10 C11 1.393(4) . ?
C11 C12 1.381(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.388(5) . ?
C12 H12 0.9500 . ?
C13 C14 1.372(5) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C17 1.502(5) . ?
C15 C16 1.518(5) . ?
C15 H15 1.0000 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.526(5) . ?
C18 C20 1.552(5) . ?
C18 H18 1.0000 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.394(4) . ?
C21 C26 1.399(5) . ?
C22 C23 1.377(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.378(5) . ?
C23 C27 1.490(6) . ?
C24 C25 1.389(5) . ?
C24 H24 0.9500 . ?
C25 C26 1.378(5) . ?
C25 C28 1.497(5) . ?
C26 H26 0.9500 . ?
C27 F1' 1.260(8) . ?
C27 F3 1.280(10) . ?
C27 F3' 1.317(9) . ?
C27 F2 1.319(8) . ?
C27 F2' 1.399(8) . ?
C27 F1 1.432(9) . ?
C28 F6 1.286(5) . ?
C28 F4 1.298(5) . ?
C28 F5 1.320(5) . ?
C29 C30 1.389(4) . ?
C29 C34 1.393(4) . ?
C30 C31 1.388(5) . ?
C30 H30 0.9500 . ?
C31 C32 1.376(5) . ?
C31 C35 1.479(6) . ?
C32 C33 1.389(5) . ?
C32 H32 0.9500 . ?
C33 C34 1.387(5) . ?
C33 C65 1.480(5) . ?
C34 H34 0.9500 . ?
C35 F9' 1.268(10) . ?
C35 F8 1.289(10) . ?
C35 F8' 1.309(12) . ?
C35 F7 1.310(8) . ?
C35 F9 1.404(8) . ?
C35 F7' 1.412(10) . ?
C37 C38 1.376(4) . ?
C37 C42 1.404(5) . ?
C38 C39 1.390(4) . ?
C38 H38 0.9500 . ?
C39 C40 1.376(5) . ?
C39 H39 0.9500 . ?
C40 C41 1.388(5) . ?
C40 C43 1.536(5) . ?
C41 C42 1.395(5) . ?
C41 H41 0.9500 . ?
C42 C47 1.540(5) . ?
C43 C44 1.517(6) . ?
C43 C45 1.521(6) . ?
C43 C46 1.533(6) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 C49 1.526(5) . ?
C47 C50 1.529(5) . ?
C47 C48 1.540(5) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 C56 1.366(4) . ?
C51 C52 1.397(4) . ?
C52 C53 1.390(4) . ?
C52 C57 1.534(4) . ?
C53 C54 1.394(5) . ?
C53 H53 0.9500 . ?
C54 C55 1.383(5) . ?
C54 C61 1.531(5) . ?
C55 C56 1.388(5) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C57 C60 1.534(5) . ?
C57 C59 1.538(5) . ?
C57 C58 1.540(5) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 C62 1.516(5) . ?
C61 C63 1.520(5) . ?
C61 C64 1.539(6) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 F12 1.322(5) . ?
C65 F11 1.342(4) . ?
C65 F10 1.345(4) . ?
C66 C71 1.372(5) . ?
C66 C67 1.402(5) . ?
C67 C68 1.387(4) . ?
C67 C72 1.542(5) . ?
C68 C69 1.393(5) . ?
C68 H68 0.9500 . ?
C69 C70 1.375(5) . ?
C69 C76 1.537(5) . ?
C70 C71 1.379(5) . ?
C70 H70 0.9500 . ?
C71 H71 0.9500 . ?
C72 C74 1.528(5) . ?
C72 C73 1.530(5) . ?
C72 C75 1.534(5) . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C75 H75A 0.9800 . ?
C75 H75B 0.9800 . ?
C75 H75C 0.9800 . ?
C76 C79 1.491(6) . ?
C76 C77 1.515(5) . ?
C76 C78 1.530(6) . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 0.9800 . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
Au2 C80 2.063(3) . ?
Au2 P4 2.2549(8) . ?
P3 C88 1.788(3) . ?
P3 C81 1.804(3) . ?
P3 C94 1.832(4) . ?
P3 C97 1.836(3) . ?
P4 O5 1.589(2) . ?
P4 O6 1.595(2) . ?
P4 O4 1.599(2) . ?
O4 C116 1.413(3) . ?
O5 C130 1.425(3) . ?
O6 C144 1.414(3) . ?
B2 C100 1.623(5) . ?
B2 C89 1.630(5) . ?
B2 C108 1.644(5) . ?
B2 C81 1.655(5) . ?
C80 C81 1.345(4) . ?
C80 C82 1.488(4) . ?
C82 C87 1.394(4) . ?
C82 C83 1.395(5) . ?
C83 C84 1.384(5) . ?
C83 H83 0.9500 . ?
C84 C85 1.377(5) . ?
C84 H84 0.9500 . ?
C85 C86 1.381(5) . ?
C85 H85 0.9500 . ?
C86 C87 1.383(5) . ?
C86 H86 0.9500 . ?
C87 H87 0.9500 . ?
C88 C89 1.398(4) . ?
C88 C93 1.404(4) . ?
C89 C90 1.396(4) . ?
C90 C91 1.381(4) . ?
C90 H90 0.9500 . ?
C91 C92 1.379(5) . ?
C91 H91 0.9500 . ?
C92 C93 1.381(5) . ?
C92 H92 0.9500 . ?
C93 H93 0.9500 . ?
C94 C95 1.518(5) . ?
C94 C96 1.540(5) . ?
C94 H94 1.0000 . ?
C95 H95A 0.9800 . ?
C95 H95B 0.9800 . ?
C95 H95C 0.9800 . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C96 H96C 0.9800 . ?
C97 C98 1.509(5) . ?
C97 C99 1.533(5) . ?
C97 H97 1.0000 . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
C100 C101 1.388(4) . ?
C100 C105 1.403(4) . ?
C101 C102 1.389(4) . ?
C101 H101 0.9500 . ?
C102 C103 1.383(5) . ?
C102 C106 1.497(5) . ?
C103 C104 1.379(5) . ?
C103 H103 0.9500 . ?
C104 C105 1.384(5) . ?
C104 C107 1.489(5) . ?
C105 H105 0.9500 . ?
C106 F17 1.308(5) . ?
C106 F18 1.318(4) . ?
C106 F16 1.321(4) . ?
C107 F13 1.306(5) . ?
C107 F14 1.325(5) . ?
C107 F15 1.342(5) . ?
C108 C113 1.393(4) . ?
C108 C109 1.400(4) . ?
C109 C110 1.378(5) . ?
C109 H109 0.9500 . ?
C110 C111 1.385(5) . ?
C110 C114 1.486(5) . ?
C111 C112 1.367(5) . ?
C111 H111 0.9500 . ?
C112 C113 1.382(5) . ?
C112 C215 1.49(3) . ?
C112 C115 1.492(11) . ?
C113 H113 0.9500 . ?
C114 F21 1.320(5) . ?
C114 F19 1.327(5) . ?
C114 F20 1.332(5) . ?
C115 F24 1.275(10) . ?
C115 F23 1.335(9) . ?
C115 F22 1.358(9) . ?
C215 F24' 1.274(19) . ?
C215 F23' 1.347(18) . ?
C215 F22' 1.361(18) . ?
C116 C117 1.376(4) . ?
C116 C121 1.398(4) . ?
C117 C118 1.389(4) . ?
C117 H117 0.9500 . ?
C118 C119 1.381(5) . ?
C118 H118 0.9500 . ?
C119 C120 1.387(5) . ?
C119 C122 1.530(5) . ?
C120 C121 1.395(4) . ?
C120 H120 0.9500 . ?
C121 C126 1.528(5) . ?
C122 C224 1.491(12) . ?
C122 C125 1.502(7) . ?
C122 C225 1.522(12) . ?
C122 C124 1.534(7) . ?
C122 C123 1.566(6) . ?
C122 C223 1.599(12) . ?
C123 H12A 0.9800 . ?
C123 H12B 0.9800 . ?
C123 H12C 0.9800 . ?
C124 H12D 0.9800 . ?
C124 H12E 0.9800 . ?
C124 H12F 0.9800 . ?
C125 H12G 0.9800 . ?
C125 H12H 0.9800 . ?
C125 H12I 0.9800 . ?
C223 H22A 0.9800 . ?
C223 H22B 0.9800 . ?
C223 H22C 0.9800 . ?
C224 H22D 0.9800 . ?
C224 H22E 0.9800 . ?
C224 H22F 0.9800 . ?
C225 H22G 0.9800 . ?
C225 H22H 0.9800 . ?
C225 H22I 0.9800 . ?
C126 C127 1.536(5) . ?
C126 C129 1.537(5) . ?
C126 C128 1.538(5) . ?
C127 H12J 0.9800 . ?
C127 H12K 0.9800 . ?
C127 H12L 0.9800 . ?
C128 H12M 0.9800 . ?
C128 H12N 0.9800 . ?
C128 H12O 0.9800 . ?
C129 H12P 0.9800 . ?
C129 H12Q 0.9800 . ?
C129 H12R 0.9800 . ?
C130 C131 1.381(4) . ?
C130 C135 1.392(4) . ?
C131 C132 1.391(4) . ?
C131 H131 0.9500 . ?
C132 C133 1.372(5) . ?
C132 H132 0.9500 . ?
C133 C134 1.395(5) . ?
C133 C136 1.526(4) . ?
C134 C135 1.398(4) . ?
C134 H134 0.9500 . ?
C135 C140 1.538(5) . ?
C136 C138 1.532(5) . ?
C136 C139 1.533(5) . ?
C136 C137 1.536(5) . ?
C137 H13A 0.9800 . ?
C137 H13B 0.9800 . ?
C137 H13C 0.9800 . ?
C138 H13D 0.9800 . ?
C138 H13E 0.9800 . ?
C138 H13F 0.9800 . ?
C139 H13G 0.9800 . ?
C139 H13H 0.9800 . ?
C139 H13I 0.9800 . ?
C140 C141 1.526(5) . ?
C140 C143 1.527(5) . ?
C140 C142 1.539(5) . ?
C141 H14A 0.9800 . ?
C141 H14B 0.9800 . ?
C141 H14C 0.9800 . ?
C142 H14D 0.9800 . ?
C142 H14E 0.9800 . ?
C142 H14F 0.9800 . ?
C143 H14G 0.9800 . ?
C143 H14H 0.9800 . ?
C143 H14I 0.9800 . ?
C144 C145 1.384(4) . ?
C144 C149 1.389(4) . ?
C145 C146 1.381(4) . ?
C145 H145 0.9500 . ?
C146 C147 1.387(5) . ?
C146 H146 0.9500 . ?
C147 C148 1.402(4) . ?
C147 C150 1.528(4) . ?
C148 C149 1.393(4) . ?
C148 H148 0.9500 . ?
C149 C154 1.552(4) . ?
C150 C152 1.527(5) . ?
C150 C151 1.528(5) . ?
C150 C153 1.539(5) . ?
C151 H15A 0.9800 . ?
C151 H15B 0.9800 . ?
C151 H15C 0.9800 . ?
C152 H15D 0.9800 . ?
C152 H15E 0.9800 . ?
C152 H15F 0.9800 . ?
C153 H15G 0.9800 . ?
C153 H15H 0.9800 . ?
C153 H15I 0.9800 . ?
C154 C156 1.527(5) . ?
C154 C157 1.532(5) . ?
C154 C155 1.536(5) . ?
C155 H15J 0.9800 . ?
C155 H15K 0.9800 . ?
C155 H15L 0.9800 . ?
C156 H15M 0.9800 . ?
C156 H15N 0.9800 . ?
C156 H15O 0.9800 . ?
C157 H15P 0.9800 . ?
C157 H15Q 0.9800 . ?
C157 H15R 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
C1 Au1 P2 164.32(9) . . ?
C9 P1 C2 97.58(15) . . ?
C9 P1 C18 110.30(17) . . ?
C2 P1 C18 117.81(16) . . ?
C9 P1 C15 105.55(17) . . ?
C2 P1 C15 116.06(16) . . ?
C18 P1 C15 108.29(18) . . ?
O1 P2 O3 105.71(12) . . ?
O1 P2 O2 105.48(12) . . ?
O3 P2 O2 95.66(12) . . ?
O1 P2 Au1 120.25(9) . . ?
O3 P2 Au1 115.32(9) . . ?
O2 P2 Au1 111.27(9) . . ?
C37 O1 P2 129.2(2) . . ?
C51 O2 P2 122.32(19) . . ?
C66 O3 P2 123.4(2) . . ?
C29 B1 C10 108.8(3) . . ?
C29 B1 C21 115.0(3) . . ?
C10 B1 C21 108.7(3) . . ?
C29 B1 C2 112.4(3) . . ?
C10 B1 C2 104.7(3) . . ?
C21 B1 C2 106.7(3) . . ?
C2 C1 C3 124.2(3) . . ?
C2 C1 Au1 127.9(2) . . ?
C3 C1 Au1 107.6(2) . . ?
C1 C2 B1 128.5(3) . . ?
C1 C2 P1 124.2(3) . . ?
B1 C2 P1 107.2(2) . . ?
C4 C3 C8 118.4(3) . . ?
C4 C3 C1 120.0(3) . . ?
C8 C3 C1 121.4(3) . . ?
C5 C4 C3 121.5(4) . . ?
C5 C4 H4 119.2 . . ?
C3 C4 H4 119.2 . . ?
C6 C5 C4 119.6(4) . . ?
C6 C5 H5 120.2 . . ?
C4 C5 H5 120.2 . . ?
C5 C6 C7 119.8(4) . . ?
C5 C6 H6 120.1 . . ?
C7 C6 H6 120.1 . . ?
C6 C7 C8 121.4(4) . . ?
C6 C7 H7 119.3 . . ?
C8 C7 H7 119.3 . . ?
C3 C8 C7 119.2(4) . . ?
C3 C8 H8 120.4 . . ?
C7 C8 H8 120.4 . . ?
C14 C9 C10 122.6(3) . . ?
C14 C9 P1 125.7(3) . . ?
C10 C9 P1 111.6(2) . . ?
C11 C10 C9 115.9(3) . . ?
C11 C10 B1 127.5(3) . . ?
C9 C10 B1 116.6(3) . . ?
C12 C11 C10 122.4(3) . . ?
C12 C11 H11 118.8 . . ?
C10 C11 H11 118.8 . . ?
C11 C12 C13 120.1(3) . . ?
C11 C12 H12 119.9 . . ?
C13 C12 H12 119.9 . . ?
C14 C13 C12 119.9(3) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C14 C9 119.1(3) . . ?
C13 C14 H14 120.5 . . ?
C9 C14 H14 120.5 . . ?
C17 C15 C16 112.6(3) . . ?
C17 C15 P1 117.3(3) . . ?
C16 C15 P1 110.1(3) . . ?
C17 C15 H15 105.2 . . ?
C16 C15 H15 105.2 . . ?
P1 C15 H15 105.2 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 C20 110.6(3) . . ?
C19 C18 P1 111.4(3) . . ?
C20 C18 P1 111.7(3) . . ?
C19 C18 H18 107.7 . . ?
C20 C18 H18 107.7 . . ?
P1 C18 H18 107.7 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 C26 115.5(3) . . ?
C22 C21 B1 122.5(3) . . ?
C26 C21 B1 121.5(3) . . ?
C23 C22 C21 122.4(3) . . ?
C23 C22 H22 118.8 . . ?
C21 C22 H22 118.8 . . ?
C22 C23 C24 120.8(3) . . ?
C22 C23 C27 119.8(4) . . ?
C24 C23 C27 119.3(4) . . ?
C23 C24 C25 118.3(3) . . ?
C23 C24 H24 120.9 . . ?
C25 C24 H24 120.9 . . ?
C26 C25 C24 120.3(3) . . ?
C26 C25 C28 120.0(3) . . ?
C24 C25 C28 119.6(4) . . ?
C25 C26 C21 122.4(3) . . ?
C25 C26 H26 118.8 . . ?
C21 C26 H26 118.8 . . ?
F1' C27 F3' 111.5(9) . . ?
F3 C27 F2 112.8(8) . . ?
F1' C27 F2' 106.7(7) . . ?
F3' C27 F2' 101.0(6) . . ?
F3 C27 F1 99.8(8) . . ?
F2 C27 F1 99.4(7) . . ?
F1' C27 C23 116.4(5) . . ?
F3 C27 C23 119.3(7) . . ?
F3' C27 C23 110.7(7) . . ?
F2 C27 C23 114.2(5) . . ?
F2' C27 C23 109.1(5) . . ?
F1 C27 C23 108.0(5) . . ?
F6 C28 F4 108.3(5) . . ?
F6 C28 F5 104.2(4) . . ?
F4 C28 F5 103.1(4) . . ?
F6 C28 C25 114.5(3) . . ?
F4 C28 C25 112.6(4) . . ?
F5 C28 C25 113.2(4) . . ?
C30 C29 C34 115.7(3) . . ?
C30 C29 B1 119.5(3) . . ?
C34 C29 B1 124.5(3) . . ?
C31 C30 C29 122.6(3) . . ?
C31 C30 H30 118.7 . . ?
C29 C30 H30 118.7 . . ?
C32 C31 C30 120.3(3) . . ?
C32 C31 C35 120.1(4) . . ?
C30 C31 C35 119.5(4) . . ?
C31 C32 C33 118.8(3) . . ?
C31 C32 H32 120.6 . . ?
C33 C32 H32 120.6 . . ?
C34 C33 C32 119.9(3) . . ?
C34 C33 C65 122.6(4) . . ?
C32 C33 C65 117.4(3) . . ?
C33 C34 C29 122.6(3) . . ?
C33 C34 H34 118.7 . . ?
C29 C34 H34 118.7 . . ?
F9' C35 F8' 108.0(11) . . ?
F8 C35 F7 112.5(8) . . ?
F8 C35 F9 101.1(9) . . ?
F7 C35 F9 100.5(6) . . ?
F9' C35 F7' 106.7(8) . . ?
F8' C35 F7' 102.7(9) . . ?
F9' C35 C31 117.1(7) . . ?
F8 C35 C31 116.3(9) . . ?
F8' C35 C31 113.7(10) . . ?
F7 C35 C31 116.3(6) . . ?
F9 C35 C31 107.5(5) . . ?
F7' C35 C31 107.5(6) . . ?
C38 C37 C42 121.1(3) . . ?
C38 C37 O1 120.7(3) . . ?
C42 C37 O1 118.2(3) . . ?
C37 C38 C39 120.7(3) . . ?
C37 C38 H38 119.7 . . ?
C39 C38 H38 119.7 . . ?
C40 C39 C38 120.9(3) . . ?
C40 C39 H39 119.5 . . ?
C38 C39 H39 119.5 . . ?
C39 C40 C41 116.8(3) . . ?
C39 C40 C43 122.8(4) . . ?
C41 C40 C43 120.3(4) . . ?
C40 C41 C42 125.1(3) . . ?
C40 C41 H41 117.5 . . ?
C42 C41 H41 117.5 . . ?
C41 C42 C37 115.4(3) . . ?
C41 C42 C47 121.3(3) . . ?
C37 C42 C47 123.2(3) . . ?
C44 C43 C45 108.4(4) . . ?
C44 C43 C46 109.9(4) . . ?
C45 C43 C46 107.1(4) . . ?
C44 C43 C40 111.9(4) . . ?
C45 C43 C40 109.2(4) . . ?
C46 C43 C40 110.1(3) . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C43 C46 H46A 109.5 . . ?
C43 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C43 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C49 C47 C50 110.6(3) . . ?
C49 C47 C48 106.8(3) . . ?
C50 C47 C48 107.0(3) . . ?
C49 C47 C42 111.1(3) . . ?
C50 C47 C42 109.6(3) . . ?
C48 C47 C42 111.7(3) . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C47 C49 H49A 109.5 . . ?
C47 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C47 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C47 C50 H50A 109.5 . . ?
C47 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C47 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C56 C51 C52 121.5(3) . . ?
C56 C51 O2 120.3(3) . . ?
C52 C51 O2 118.1(3) . . ?
C53 C52 C51 115.5(3) . . ?
C53 C52 C57 121.8(3) . . ?
C51 C52 C57 122.7(3) . . ?
C52 C53 C54 125.1(3) . . ?
C52 C53 H53 117.4 . . ?
C54 C53 H53 117.4 . . ?
C55 C54 C53 116.2(3) . . ?
C55 C54 C61 122.9(3) . . ?
C53 C54 C61 120.8(3) . . ?
C54 C55 C56 120.9(3) . . ?
C54 C55 H55 119.6 . . ?
C56 C55 H55 119.6 . . ?
C51 C56 C55 120.7(3) . . ?
C51 C56 H56 119.6 . . ?
C55 C56 H56 119.6 . . ?
C52 C57 C60 111.4(3) . . ?
C52 C57 C59 110.0(3) . . ?
C60 C57 C59 107.8(3) . . ?
C52 C57 C58 108.8(3) . . ?
C60 C57 C58 107.4(3) . . ?
C59 C57 C58 111.4(3) . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C57 C59 H59A 109.5 . . ?
C57 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C57 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C57 C60 H60A 109.5 . . ?
C57 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C57 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C62 C61 C63 109.7(4) . . ?
C62 C61 C54 112.0(3) . . ?
C63 C61 C54 109.0(3) . . ?
C62 C61 C64 106.7(4) . . ?
C63 C61 C64 108.2(4) . . ?
C54 C61 C64 111.2(3) . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C61 C63 H63A 109.5 . . ?
C61 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C61 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C61 C64 H64A 109.5 . . ?
C61 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C61 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
F12 C65 F11 106.1(3) . . ?
F12 C65 F10 106.3(4) . . ?
F11 C65 F10 104.7(3) . . ?
F12 C65 C33 114.0(3) . . ?
F11 C65 C33 112.8(4) . . ?
F10 C65 C33 112.2(3) . . ?
C71 C66 C67 121.7(3) . . ?
C71 C66 O3 119.8(3) . . ?
C67 C66 O3 118.4(3) . . ?
C68 C67 C66 115.5(3) . . ?
C68 C67 C72 121.3(3) . . ?
C66 C67 C72 123.2(3) . . ?
C67 C68 C69 124.6(3) . . ?
C67 C68 H68 117.7 . . ?
C69 C68 H68 117.7 . . ?
C70 C69 C68 116.8(3) . . ?
C70 C69 C76 120.3(3) . . ?
C68 C69 C76 122.9(3) . . ?
C69 C70 C71 121.3(3) . . ?
C69 C70 H70 119.3 . . ?
C71 C70 H70 119.3 . . ?
C66 C71 C70 120.1(3) . . ?
C66 C71 H71 119.9 . . ?
C70 C71 H71 119.9 . . ?
C74 C72 C73 110.3(3) . . ?
C74 C72 C75 107.0(3) . . ?
C73 C72 C75 107.3(3) . . ?
C74 C72 C67 110.6(3) . . ?
C73 C72 C67 110.1(3) . . ?
C75 C72 C67 111.5(3) . . ?
C72 C73 H73A 109.5 . . ?
C72 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C72 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C72 C74 H74A 109.5 . . ?
C72 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C72 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C72 C75 H75A 109.5 . . ?
C72 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
C72 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C79 C76 C77 113.0(5) . . ?
C79 C76 C78 107.0(4) . . ?
C77 C76 C78 106.4(4) . . ?
C79 C76 C69 109.6(3) . . ?
C77 C76 C69 108.5(3) . . ?
C78 C76 C69 112.3(4) . . ?
C76 C77 H77A 109.5 . . ?
C76 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
C76 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C76 C78 H78A 109.5 . . ?
C76 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
C76 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C76 C79 H79A 109.5 . . ?
C76 C79 H79B 109.5 . . ?
H79A C79 H79B 109.5 . . ?
C76 C79 H79C 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C80 Au2 P4 164.23(9) . . ?
C88 P3 C81 97.29(15) . . ?
C88 P3 C94 110.88(16) . . ?
C81 P3 C94 116.73(15) . . ?
C88 P3 C97 105.18(16) . . ?
C81 P3 C97 117.84(15) . . ?
C94 P3 C97 107.75(17) . . ?
O5 P4 O6 105.27(12) . . ?
O5 P4 O4 105.70(11) . . ?
O6 P4 O4 95.99(11) . . ?
O5 P4 Au2 120.65(8) . . ?
O6 P4 Au2 115.81(8) . . ?
O4 P4 Au2 110.24(8) . . ?
C116 O4 P4 122.08(18) . . ?
C130 O5 P4 128.3(2) . . ?
C144 O6 P4 124.20(19) . . ?
C100 B2 C89 108.3(3) . . ?
C100 B2 C108 114.0(3) . . ?
C89 B2 C108 109.0(3) . . ?
C100 B2 C81 112.7(3) . . ?
C89 B2 C81 104.2(3) . . ?
C108 B2 C81 108.1(3) . . ?
C81 C80 C82 125.5(3) . . ?
C81 C80 Au2 126.5(2) . . ?
C82 C80 Au2 108.0(2) . . ?
C80 C81 B2 127.3(3) . . ?
C80 C81 P3 124.8(2) . . ?
B2 C81 P3 107.8(2) . . ?
C87 C82 C83 117.7(3) . . ?
C87 C82 C80 120.7(3) . . ?
C83 C82 C80 121.4(3) . . ?
C84 C83 C82 120.8(3) . . ?
C84 C83 H83 119.6 . . ?
C82 C83 H83 119.6 . . ?
C85 C84 C83 120.5(4) . . ?
C85 C84 H84 119.7 . . ?
C83 C84 H84 119.7 . . ?
C84 C85 C86 119.6(4) . . ?
C84 C85 H85 120.2 . . ?
C86 C85 H85 120.2 . . ?
C85 C86 C87 119.9(4) . . ?
C85 C86 H86 120.0 . . ?
C87 C86 H86 120.0 . . ?
C86 C87 C82 121.3(4) . . ?
C86 C87 H87 119.4 . . ?
C82 C87 H87 119.4 . . ?
C89 C88 C93 122.1(3) . . ?
C89 C88 P3 112.0(2) . . ?
C93 C88 P3 125.7(3) . . ?
C90 C89 C88 116.3(3) . . ?
C90 C89 B2 127.5(3) . . ?
C88 C89 B2 116.2(3) . . ?
C91 C90 C89 122.0(3) . . ?
C91 C90 H90 119.0 . . ?
C89 C90 H90 119.0 . . ?
C92 C91 C90 120.6(3) . . ?
C92 C91 H91 119.7 . . ?
C90 C91 H91 119.7 . . ?
C91 C92 C93 119.6(3) . . ?
C91 C92 H92 120.2 . . ?
C93 C92 H92 120.2 . . ?
C92 C93 C88 119.3(3) . . ?
C92 C93 H93 120.3 . . ?
C88 C93 H93 120.3 . . ?
C95 C94 C96 110.9(3) . . ?
C95 C94 P3 111.0(2) . . ?
C96 C94 P3 111.9(3) . . ?
C95 C94 H94 107.6 . . ?
C96 C94 H94 107.6 . . ?
P3 C94 H94 107.6 . . ?
C94 C95 H95A 109.5 . . ?
C94 C95 H95B 109.5 . . ?
H95A C95 H95B 109.5 . . ?
C94 C95 H95C 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C94 C96 H96A 109.5 . . ?
C94 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
C94 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
C98 C97 C99 113.5(3) . . ?
C98 C97 P3 117.0(3) . . ?
C99 C97 P3 109.1(2) . . ?
C98 C97 H97 105.4 . . ?
C99 C97 H97 105.4 . . ?
P3 C97 H97 105.4 . . ?
C97 C98 H98A 109.5 . . ?
C97 C98 H98B 109.5 . . ?
H98A C98 H98B 109.5 . . ?
C97 C98 H98C 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C97 C99 H99A 109.5 . . ?
C97 C99 H99B 109.5 . . ?
H99A C99 H99B 109.5 . . ?
C97 C99 H99C 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
C101 C100 C105 115.6(3) . . ?
C101 C100 B2 125.0(3) . . ?
C105 C100 B2 119.2(3) . . ?
C100 C101 C102 122.6(3) . . ?
C100 C101 H101 118.7 . . ?
C102 C101 H101 118.7 . . ?
C103 C102 C101 120.4(3) . . ?
C103 C102 C106 118.0(3) . . ?
C101 C102 C106 121.6(3) . . ?
C104 C103 C102 118.6(3) . . ?
C104 C103 H103 120.7 . . ?
C102 C103 H103 120.7 . . ?
C103 C104 C105 120.5(3) . . ?
C103 C104 C107 121.8(3) . . ?
C105 C104 C107 117.6(3) . . ?
C104 C105 C100 122.4(3) . . ?
C104 C105 H105 118.8 . . ?
C100 C105 H105 118.8 . . ?
F17 C106 F18 106.8(3) . . ?
F17 C106 F16 105.3(3) . . ?
F18 C106 F16 104.1(3) . . ?
F17 C106 C102 113.4(3) . . ?
F18 C106 C102 112.4(3) . . ?
F16 C106 C102 114.1(3) . . ?
F13 C107 F14 107.8(4) . . ?
F13 C107 F15 104.8(4) . . ?
F14 C107 F15 105.1(3) . . ?
F13 C107 C104 113.5(3) . . ?
F14 C107 C104 113.9(4) . . ?
F15 C107 C104 111.0(3) . . ?
C113 C108 C109 114.7(3) . . ?
C113 C108 B2 122.8(3) . . ?
C109 C108 B2 122.1(3) . . ?
C110 C109 C108 123.2(3) . . ?
C110 C109 H109 118.4 . . ?
C108 C109 H109 118.4 . . ?
C109 C110 C111 119.9(3) . . ?
C109 C110 C114 120.5(3) . . ?
C111 C110 C114 119.4(3) . . ?
C112 C111 C110 118.6(3) . . ?
C112 C111 H111 120.7 . . ?
C110 C111 H111 120.7 . . ?
C111 C112 C113 121.0(3) . . ?
C111 C112 C215 119.0(8) . . ?
C113 C112 C215 119.4(8) . . ?
C111 C112 C115 121.2(5) . . ?
C113 C112 C115 117.8(5) . . ?
C112 C113 C108 122.6(3) . . ?
C112 C113 H113 118.7 . . ?
C108 C113 H113 118.7 . . ?
F21 C114 F19 104.4(4) . . ?
F21 C114 F20 105.3(4) . . ?
F19 C114 F20 106.1(4) . . ?
F21 C114 C110 112.5(4) . . ?
F19 C114 C110 114.2(3) . . ?
F20 C114 C110 113.6(4) . . ?
F24 C115 F23 109.1(9) . . ?
F24 C115 F22 106.3(8) . . ?
F23 C115 F22 103.5(9) . . ?
F24 C115 C112 116.6(8) . . ?
F23 C115 C112 110.1(7) . . ?
F22 C115 C112 110.3(8) . . ?
F24' C215 F23' 109(2) . . ?
F24' C215 F22' 100.6(18) . . ?
F23' C215 F22' 99.1(16) . . ?
F24' C215 C112 116.3(17) . . ?
F23' C215 C112 115.7(16) . . ?
F22' C215 C112 113.6(16) . . ?
C117 C116 C121 122.0(3) . . ?
C117 C116 O4 119.6(3) . . ?
C121 C116 O4 118.3(3) . . ?
C116 C117 C118 120.3(3) . . ?
C116 C117 H117 119.8 . . ?
C118 C117 H117 119.8 . . ?
C119 C118 C117 120.6(3) . . ?
C119 C118 H118 119.7 . . ?
C117 C118 H118 119.7 . . ?
C118 C119 C120 116.9(3) . . ?
C118 C119 C122 121.3(3) . . ?
C120 C119 C122 121.7(3) . . ?
C119 C120 C121 125.2(3) . . ?
C119 C120 H120 117.4 . . ?
C121 C120 H120 117.4 . . ?
C120 C121 C116 114.9(3) . . ?
C120 C121 C126 122.6(3) . . ?
C116 C121 C126 122.5(3) . . ?
C224 C122 C225 110.2(9) . . ?
C224 C122 C119 114.8(6) . . ?
C125 C122 C119 114.0(4) . . ?
C225 C122 C119 110.5(6) . . ?
C125 C122 C124 111.7(5) . . ?
C119 C122 C124 108.6(3) . . ?
C125 C122 C123 107.0(4) . . ?
C119 C122 C123 109.3(3) . . ?
C124 C122 C123 106.0(5) . . ?
C224 C122 C223 110.7(9) . . ?
C225 C122 C223 103.8(9) . . ?
C119 C122 C223 106.3(6) . . ?
C122 C123 H12A 109.5 . . ?
C122 C123 H12B 109.5 . . ?
H12A C123 H12B 109.5 . . ?
C122 C123 H12C 109.5 . . ?
H12A C123 H12C 109.5 . . ?
H12B C123 H12C 109.5 . . ?
C122 C124 H12D 109.5 . . ?
C122 C124 H12E 109.5 . . ?
H12D C124 H12E 109.5 . . ?
C122 C124 H12F 109.5 . . ?
H12D C124 H12F 109.5 . . ?
H12E C124 H12F 109.5 . . ?
C122 C125 H12G 109.5 . . ?
C122 C125 H12H 109.5 . . ?
H12G C125 H12H 109.5 . . ?
C122 C125 H12I 109.5 . . ?
H12G C125 H12I 109.5 . . ?
H12H C125 H12I 109.5 . . ?
C122 C223 H22A 109.5 . . ?
C122 C223 H22B 109.5 . . ?
H22A C223 H22B 109.5 . . ?
C122 C223 H22C 109.5 . . ?
H22A C223 H22C 109.5 . . ?
H22B C223 H22C 109.5 . . ?
C122 C224 H22D 109.5 . . ?
C122 C224 H22E 109.5 . . ?
H22D C224 H22E 109.5 . . ?
C122 C224 H22F 109.5 . . ?
H22D C224 H22F 109.5 . . ?
H22E C224 H22F 109.5 . . ?
C122 C225 H22G 109.5 . . ?
C122 C225 H22H 109.5 . . ?
H22G C225 H22H 109.5 . . ?
C122 C225 H22I 109.5 . . ?
H22G C225 H22I 109.5 . . ?
H22H C225 H22I 109.5 . . ?
C121 C126 C127 110.3(3) . . ?
C121 C126 C129 111.8(3) . . ?
C127 C126 C129 107.2(3) . . ?
C121 C126 C128 110.2(3) . . ?
C127 C126 C128 110.4(3) . . ?
C129 C126 C128 106.9(3) . . ?
C126 C127 H12J 109.5 . . ?
C126 C127 H12K 109.5 . . ?
H12J C127 H12K 109.5 . . ?
C126 C127 H12L 109.5 . . ?
H12J C127 H12L 109.5 . . ?
H12K C127 H12L 109.5 . . ?
C126 C128 H12M 109.5 . . ?
C126 C128 H12N 109.5 . . ?
H12M C128 H12N 109.5 . . ?
C126 C128 H12O 109.5 . . ?
H12M C128 H12O 109.5 . . ?
H12N C128 H12O 109.5 . . ?
C126 C129 H12P 109.5 . . ?
C126 C129 H12Q 109.5 . . ?
H12P C129 H12Q 109.5 . . ?
C126 C129 H12R 109.5 . . ?
H12P C129 H12R 109.5 . . ?
H12Q C129 H12R 109.5 . . ?
C131 C130 C135 121.7(3) . . ?
C131 C130 O5 120.6(3) . . ?
C135 C130 O5 117.6(3) . . ?
C130 C131 C132 120.2(3) . . ?
C130 C131 H131 119.9 . . ?
C132 C131 H131 119.9 . . ?
C133 C132 C131 121.0(3) . . ?
C133 C132 H132 119.5 . . ?
C131 C132 H132 119.5 . . ?
C132 C133 C134 116.7(3) . . ?
C132 C133 C136 123.1(3) . . ?
C134 C133 C136 120.2(3) . . ?
C133 C134 C135 125.0(3) . . ?
C133 C134 H134 117.5 . . ?
C135 C134 H134 117.5 . . ?
C130 C135 C134 115.3(3) . . ?
C130 C135 C140 123.8(3) . . ?
C134 C135 C140 121.0(3) . . ?
C133 C136 C138 109.8(3) . . ?
C133 C136 C139 109.3(3) . . ?
C138 C136 C139 108.6(3) . . ?
C133 C136 C137 112.2(3) . . ?
C138 C136 C137 108.8(3) . . ?
C139 C136 C137 108.0(3) . . ?
C136 C137 H13A 109.5 . . ?
C136 C137 H13B 109.5 . . ?
H13A C137 H13B 109.5 . . ?
C136 C137 H13C 109.5 . . ?
H13A C137 H13C 109.5 . . ?
H13B C137 H13C 109.5 . . ?
C136 C138 H13D 109.5 . . ?
C136 C138 H13E 109.5 . . ?
H13D C138 H13E 109.5 . . ?
C136 C138 H13F 109.5 . . ?
H13D C138 H13F 109.5 . . ?
H13E C138 H13F 109.5 . . ?
C136 C139 H13G 109.5 . . ?
C136 C139 H13H 109.5 . . ?
H13G C139 H13H 109.5 . . ?
C136 C139 H13I 109.5 . . ?
H13G C139 H13I 109.5 . . ?
H13H C139 H13I 109.5 . . ?
C141 C140 C143 107.8(4) . . ?
C141 C140 C135 112.2(3) . . ?
C143 C140 C135 110.8(3) . . ?
C141 C140 C142 106.7(3) . . ?
C143 C140 C142 109.8(3) . . ?
C135 C140 C142 109.5(3) . . ?
C140 C141 H14A 109.5 . . ?
C140 C141 H14B 109.5 . . ?
H14A C141 H14B 109.5 . . ?
C140 C141 H14C 109.5 . . ?
H14A C141 H14C 109.5 . . ?
H14B C141 H14C 109.5 . . ?
C140 C142 H14D 109.5 . . ?
C140 C142 H14E 109.5 . . ?
H14D C142 H14E 109.5 . . ?
C140 C142 H14F 109.5 . . ?
H14D C142 H14F 109.5 . . ?
H14E C142 H14F 109.5 . . ?
C140 C143 H14G 109.5 . . ?
C140 C143 H14H 109.5 . . ?
H14G C143 H14H 109.5 . . ?
C140 C143 H14I 109.5 . . ?
H14G C143 H14I 109.5 . . ?
H14H C143 H14I 109.5 . . ?
C145 C144 C149 121.9(3) . . ?
C145 C144 O6 120.4(3) . . ?
C149 C144 O6 117.7(3) . . ?
C146 C145 C144 120.1(3) . . ?
C146 C145 H145 119.9 . . ?
C144 C145 H145 119.9 . . ?
C145 C146 C147 121.2(3) . . ?
C145 C146 H146 119.4 . . ?
C147 C146 H146 119.4 . . ?
C146 C147 C148 116.6(3) . . ?
C146 C147 C150 122.7(3) . . ?
C148 C147 C150 120.5(3) . . ?
C149 C148 C147 124.4(3) . . ?
C149 C148 H148 117.8 . . ?
C147 C148 H148 117.8 . . ?
C144 C149 C148 115.9(3) . . ?
C144 C149 C154 123.9(3) . . ?
C148 C149 C154 120.3(3) . . ?
C152 C150 C147 111.0(3) . . ?
C152 C150 C151 108.8(3) . . ?
C147 C150 C151 108.3(3) . . ?
C152 C150 C153 108.0(3) . . ?
C147 C150 C153 111.8(3) . . ?
C151 C150 C153 108.9(3) . . ?
C150 C151 H15A 109.5 . . ?
C150 C151 H15B 109.5 . . ?
H15A C151 H15B 109.5 . . ?
C150 C151 H15C 109.5 . . ?
H15A C151 H15C 109.5 . . ?
H15B C151 H15C 109.5 . . ?
C150 C152 H15D 109.5 . . ?
C150 C152 H15E 109.5 . . ?
H15D C152 H15E 109.5 . . ?
C150 C152 H15F 109.5 . . ?
H15D C152 H15F 109.5 . . ?
H15E C152 H15F 109.5 . . ?
C150 C153 H15G 109.5 . . ?
C150 C153 H15H 109.5 . . ?
H15G C153 H15H 109.5 . . ?
C150 C153 H15I 109.5 . . ?
H15G C153 H15I 109.5 . . ?
H15H C153 H15I 109.5 . . ?
C156 C154 C157 106.9(3) . . ?
C156 C154 C155 110.2(3) . . ?
C157 C154 C155 107.2(3) . . ?
C156 C154 C149 109.8(3) . . ?
C157 C154 C149 111.6(3) . . ?
C155 C154 C149 111.1(3) . . ?
C154 C155 H15J 109.5 . . ?
C154 C155 H15K 109.5 . . ?
H15J C155 H15K 109.5 . . ?
C154 C155 H15L 109.5 . . ?
H15J C155 H15L 109.5 . . ?
H15K C155 H15L 109.5 . . ?
C154 C156 H15M 109.5 . . ?
C154 C156 H15N 109.5 . . ?
H15M C156 H15N 109.5 . . ?
C154 C156 H15O 109.5 . . ?
H15M C156 H15O 109.5 . . ?
H15N C156 H15O 109.5 . . ?
C154 C157 H15P 109.5 . . ?
C154 C157 H15Q 109.5 . . ?
H15P C157 H15Q 109.5 . . ?
C154 C157 H15R 109.5 . . ?
H15P C157 H15R 109.5 . . ?
H15Q C157 H15R 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
O3 P2 O1 C37 49.0(3) . . . . ?
O2 P2 O1 C37 -51.6(3) . . . . ?
Au1 P2 O1 C37 -178.3(2) . . . . ?
O1 P2 O2 C51 -84.6(2) . . . . ?
O3 P2 O2 C51 167.4(2) . . . . ?
Au1 P2 O2 C51 47.4(2) . . . . ?
O1 P2 O3 C66 86.9(2) . . . . ?
O2 P2 O3 C66 -165.2(2) . . . . ?
Au1 P2 O3 C66 -48.5(3) . . . . ?
C3 C1 C2 B1 167.3(3) . . . . ?
Au1 C1 C2 B1 -6.9(5) . . . . ?
C3 C1 C2 P1 -16.3(5) . . . . ?
Au1 C1 C2 P1 169.50(17) . . . . ?
C29 B1 C2 C1 43.8(5) . . . . ?
C10 B1 C2 C1 161.7(3) . . . . ?
C21 B1 C2 C1 -83.2(4) . . . . ?
C29 B1 C2 P1 -133.1(2) . . . . ?
C10 B1 C2 P1 -15.2(3) . . . . ?
C21 B1 C2 P1 99.9(2) . . . . ?
C9 P1 C2 C1 -163.4(3) . . . . ?
C18 P1 C2 C1 78.8(3) . . . . ?
C15 P1 C2 C1 -51.9(4) . . . . ?
C9 P1 C2 B1 13.6(2) . . . . ?
C18 P1 C2 B1 -104.2(2) . . . . ?
C15 P1 C2 B1 125.1(2) . . . . ?
C2 C1 C3 C4 -64.1(5) . . . . ?
Au1 C1 C3 C4 111.1(3) . . . . ?
C2 C1 C3 C8 122.3(4) . . . . ?
Au1 C1 C3 C8 -62.5(4) . . . . ?
C8 C3 C4 C5 -1.6(5) . . . . ?
C1 C3 C4 C5 -175.4(3) . . . . ?
C3 C4 C5 C6 -1.3(6) . . . . ?
C4 C5 C6 C7 3.1(6) . . . . ?
C5 C6 C7 C8 -2.0(7) . . . . ?
C4 C3 C8 C7 2.7(5) . . . . ?
C1 C3 C8 C7 176.4(3) . . . . ?
C6 C7 C8 C3 -0.9(6) . . . . ?
C2 P1 C9 C14 169.4(3) . . . . ?
C18 P1 C9 C14 -67.1(4) . . . . ?
C15 P1 C9 C14 49.6(4) . . . . ?
C2 P1 C9 C10 -7.5(3) . . . . ?
C18 P1 C9 C10 115.9(3) . . . . ?
C15 P1 C9 C10 -127.3(3) . . . . ?
C14 C9 C10 C11 1.4(5) . . . . ?
P1 C9 C10 C11 178.5(3) . . . . ?
C14 C9 C10 B1 -178.8(3) . . . . ?
P1 C9 C10 B1 -1.7(4) . . . . ?
C29 B1 C10 C11 -48.7(4) . . . . ?
C21 B1 C10 C11 77.3(4) . . . . ?
C2 B1 C10 C11 -169.0(3) . . . . ?
C29 B1 C10 C9 131.6(3) . . . . ?
C21 B1 C10 C9 -102.5(3) . . . . ?
C2 B1 C10 C9 11.2(4) . . . . ?
C9 C10 C11 C12 -0.2(5) . . . . ?
B1 C10 C11 C12 -179.9(3) . . . . ?
C10 C11 C12 C13 -0.5(5) . . . . ?
C11 C12 C13 C14 0.0(6) . . . . ?
C12 C13 C14 C9 1.3(6) . . . . ?
C10 C9 C14 C13 -2.0(6) . . . . ?
P1 C9 C14 C13 -178.6(3) . . . . ?
C9 P1 C15 C17 -159.9(3) . . . . ?
C2 P1 C15 C17 93.4(3) . . . . ?
C18 P1 C15 C17 -41.8(3) . . . . ?
C9 P1 C15 C16 69.5(3) . . . . ?
C2 P1 C15 C16 -37.2(3) . . . . ?
C18 P1 C15 C16 -172.3(3) . . . . ?
C9 P1 C18 C19 -66.4(3) . . . . ?
C2 P1 C18 C19 44.3(3) . . . . ?
C15 P1 C18 C19 178.5(3) . . . . ?
C9 P1 C18 C20 57.8(3) . . . . ?
C2 P1 C18 C20 168.5(3) . . . . ?
C15 P1 C18 C20 -57.3(3) . . . . ?
C29 B1 C21 C22 100.3(4) . . . . ?
C10 B1 C21 C22 -21.9(4) . . . . ?
C2 B1 C21 C22 -134.2(3) . . . . ?
C29 B1 C21 C26 -87.8(4) . . . . ?
C10 B1 C21 C26 150.0(3) . . . . ?
C2 B1 C21 C26 37.6(4) . . . . ?
C26 C21 C22 C23 -2.3(5) . . . . ?
B1 C21 C22 C23 170.0(3) . . . . ?
C21 C22 C23 C24 -1.6(6) . . . . ?
C21 C22 C23 C27 -178.2(4) . . . . ?
C22 C23 C24 C25 3.5(6) . . . . ?
C27 C23 C24 C25 -179.9(4) . . . . ?
C23 C24 C25 C26 -1.3(6) . . . . ?
C23 C24 C25 C28 -178.2(4) . . . . ?
C24 C25 C26 C21 -2.8(6) . . . . ?
C28 C25 C26 C21 174.0(4) . . . . ?
C22 C21 C26 C25 4.5(5) . . . . ?
B1 C21 C26 C25 -167.9(3) . . . . ?
C22 C23 C27 F1' -15.1(12) . . . . ?
C24 C23 C27 F1' 168.2(10) . . . . ?
C22 C23 C27 F3 -174.8(9) . . . . ?
C24 C23 C27 F3 8.5(11) . . . . ?
C22 C23 C27 F3' -143.9(7) . . . . ?
C24 C23 C27 F3' 39.4(9) . . . . ?
C22 C23 C27 F2 47.5(10) . . . . ?
C24 C23 C27 F2 -129.2(9) . . . . ?
C22 C23 C27 F2' 105.7(7) . . . . ?
C24 C23 C27 F2' -70.9(7) . . . . ?
C22 C23 C27 F1 -62.0(8) . . . . ?
C24 C23 C27 F1 121.4(7) . . . . ?
C26 C25 C28 F6 -11.0(6) . . . . ?
C24 C25 C28 F6 165.8(4) . . . . ?
C26 C25 C28 F4 -135.2(4) . . . . ?
C24 C25 C28 F4 41.6(6) . . . . ?
C26 C25 C28 F5 108.3(4) . . . . ?
C24 C25 C28 F5 -74.9(5) . . . . ?
C10 B1 C29 C30 -77.8(4) . . . . ?
C21 B1 C29 C30 160.0(3) . . . . ?
C2 B1 C29 C30 37.6(4) . . . . ?
C10 B1 C29 C34 95.7(4) . . . . ?
C21 B1 C29 C34 -26.5(4) . . . . ?
C2 B1 C29 C34 -148.9(3) . . . . ?
C34 C29 C30 C31 -1.1(5) . . . . ?
B1 C29 C30 C31 173.0(3) . . . . ?
C29 C30 C31 C32 1.0(6) . . . . ?
C29 C30 C31 C35 178.0(4) . . . . ?
C30 C31 C32 C33 -0.3(5) . . . . ?
C35 C31 C32 C33 -177.3(4) . . . . ?
C31 C32 C33 C34 -0.2(5) . . . . ?
C31 C32 C33 C65 178.2(3) . . . . ?
C32 C33 C34 C29 0.0(5) . . . . ?
C65 C33 C34 C29 -178.3(3) . . . . ?
C30 C29 C34 C33 0.6(5) . . . . ?
B1 C29 C34 C33 -173.1(3) . . . . ?
C32 C31 C35 F9' 70.6(12) . . . . ?
C30 C31 C35 F9' -106.5(11) . . . . ?
C32 C31 C35 F8 -136.6(9) . . . . ?
C30 C31 C35 F8 46.3(10) . . . . ?
C32 C31 C35 F8' -162.3(10) . . . . ?
C30 C31 C35 F8' 20.6(12) . . . . ?
C32 C31 C35 F7 -0.6(10) . . . . ?
C30 C31 C35 F7 -177.7(8) . . . . ?
C32 C31 C35 F9 111.0(8) . . . . ?
C30 C31 C35 F9 -66.1(8) . . . . ?
C32 C31 C35 F7' -49.4(9) . . . . ?
C30 C31 C35 F7' 133.5(9) . . . . ?
P2 O1 C37 C38 -5.0(4) . . . . ?
P2 O1 C37 C42 175.2(2) . . . . ?
C42 C37 C38 C39 2.5(5) . . . . ?
O1 C37 C38 C39 -177.4(3) . . . . ?
C37 C38 C39 C40 -1.2(5) . . . . ?
C38 C39 C40 C41 -0.7(5) . . . . ?
C38 C39 C40 C43 -178.8(4) . . . . ?
C39 C40 C41 C42 1.6(6) . . . . ?
C43 C40 C41 C42 179.6(3) . . . . ?
C40 C41 C42 C37 -0.4(5) . . . . ?
C40 C41 C42 C47 -177.8(3) . . . . ?
C38 C37 C42 C41 -1.7(5) . . . . ?
O1 C37 C42 C41 178.2(3) . . . . ?
C38 C37 C42 C47 175.7(3) . . . . ?
O1 C37 C42 C47 -4.5(5) . . . . ?
C39 C40 C43 C44 -4.6(6) . . . . ?
C41 C40 C43 C44 177.4(4) . . . . ?
C39 C40 C43 C45 115.4(4) . . . . ?
C41 C40 C43 C45 -62.5(5) . . . . ?
C39 C40 C43 C46 -127.2(5) . . . . ?
C41 C40 C43 C46 54.9(6) . . . . ?
C41 C42 C47 C49 -121.3(4) . . . . ?
C37 C42 C47 C49 61.5(4) . . . . ?
C41 C42 C47 C50 116.2(4) . . . . ?
C37 C42 C47 C50 -61.0(4) . . . . ?
C41 C42 C47 C48 -2.2(5) . . . . ?
C37 C42 C47 C48 -179.4(3) . . . . ?
P2 O2 C51 C56 36.5(4) . . . . ?
P2 O2 C51 C52 -146.6(2) . . . . ?
C56 C51 C52 C53 2.1(5) . . . . ?
O2 C51 C52 C53 -174.8(3) . . . . ?
C56 C51 C52 C57 -177.3(3) . . . . ?
O2 C51 C52 C57 5.8(4) . . . . ?
C51 C52 C53 C54 -0.9(5) . . . . ?
C57 C52 C53 C54 178.5(3) . . . . ?
C52 C53 C54 C55 -1.2(5) . . . . ?
C52 C53 C54 C61 176.6(3) . . . . ?
C53 C54 C55 C56 2.1(5) . . . . ?
C61 C54 C55 C56 -175.6(3) . . . . ?
C52 C51 C56 C55 -1.2(5) . . . . ?
O2 C51 C56 C55 175.7(3) . . . . ?
C54 C55 C56 C51 -1.0(5) . . . . ?
C53 C52 C57 C60 0.1(4) . . . . ?
C51 C52 C57 C60 179.4(3) . . . . ?
C53 C52 C57 C59 119.6(3) . . . . ?
C51 C52 C57 C59 -61.1(4) . . . . ?
C53 C52 C57 C58 -118.1(3) . . . . ?
C51 C52 C57 C58 61.2(4) . . . . ?
C55 C54 C61 C62 -13.8(5) . . . . ?
C53 C54 C61 C62 168.5(4) . . . . ?
C55 C54 C61 C63 107.7(4) . . . . ?
C53 C54 C61 C63 -69.9(5) . . . . ?
C55 C54 C61 C64 -133.0(4) . . . . ?
C53 C54 C61 C64 49.3(5) . . . . ?
C34 C33 C65 F12 -11.2(5) . . . . ?
C32 C33 C65 F12 170.5(3) . . . . ?
C34 C33 C65 F11 -132.3(4) . . . . ?
C32 C33 C65 F11 49.4(4) . . . . ?
C34 C33 C65 F10 109.8(4) . . . . ?
C32 C33 C65 F10 -68.6(5) . . . . ?
P2 O3 C66 C71 -16.3(4) . . . . ?
P2 O3 C66 C67 165.9(2) . . . . ?
C71 C66 C67 C68 1.6(5) . . . . ?
O3 C66 C67 C68 179.4(3) . . . . ?
C71 C66 C67 C72 -176.4(3) . . . . ?
O3 C66 C67 C72 1.4(5) . . . . ?
C66 C67 C68 C69 0.0(5) . . . . ?
C72 C67 C68 C69 178.0(3) . . . . ?
C67 C68 C69 C70 -0.4(5) . . . . ?
C67 C68 C69 C76 179.7(3) . . . . ?
C68 C69 C70 C71 -0.6(5) . . . . ?
C76 C69 C70 C71 179.2(3) . . . . ?
C67 C66 C71 C70 -2.6(5) . . . . ?
O3 C66 C71 C70 179.6(3) . . . . ?
C69 C70 C71 C66 2.1(6) . . . . ?
C68 C67 C72 C74 124.5(4) . . . . ?
C66 C67 C72 C74 -57.6(5) . . . . ?
C68 C67 C72 C73 -113.3(4) . . . . ?
C66 C67 C72 C73 64.6(4) . . . . ?
C68 C67 C72 C75 5.6(5) . . . . ?
C66 C67 C72 C75 -176.5(3) . . . . ?
C70 C69 C76 C79 -56.9(5) . . . . ?
C68 C69 C76 C79 122.9(5) . . . . ?
C70 C69 C76 C77 66.9(5) . . . . ?
C68 C69 C76 C77 -113.3(5) . . . . ?
C70 C69 C76 C78 -175.7(4) . . . . ?
C68 C69 C76 C78 4.1(5) . . . . ?
O5 P4 O4 C116 83.4(2) . . . . ?
O6 P4 O4 C116 -168.9(2) . . . . ?
Au2 P4 O4 C116 -48.5(2) . . . . ?
O6 P4 O5 C130 -50.9(3) . . . . ?
O4 P4 O5 C130 50.0(3) . . . . ?
Au2 P4 O5 C130 175.7(2) . . . . ?
O5 P4 O6 C144 -88.3(2) . . . . ?
O4 P4 O6 C144 163.6(2) . . . . ?
Au2 P4 O6 C144 47.7(2) . . . . ?
C82 C80 C81 B2 -174.8(3) . . . . ?
Au2 C80 C81 B2 2.3(5) . . . . ?
C82 C80 C81 P3 10.8(5) . . . . ?
Au2 C80 C81 P3 -172.07(16) . . . . ?
C100 B2 C81 C80 -42.0(4) . . . . ?
C89 B2 C81 C80 -159.2(3) . . . . ?
C108 B2 C81 C80 84.9(4) . . . . ?
C100 B2 C81 P3 133.2(2) . . . . ?
C89 B2 C81 P3 15.9(3) . . . . ?
C108 B2 C81 P3 -100.0(2) . . . . ?
C88 P3 C81 C80 162.0(3) . . . . ?
C94 P3 C81 C80 -80.2(3) . . . . ?
C97 P3 C81 C80 50.5(3) . . . . ?
C88 P3 C81 B2 -13.3(2) . . . . ?
C94 P3 C81 B2 104.5(2) . . . . ?
C97 P3 C81 B2 -124.8(2) . . . . ?
C81 C80 C82 C87 -121.3(4) . . . . ?
Au2 C80 C82 C87 61.1(3) . . . . ?
C81 C80 C82 C83 64.2(5) . . . . ?
Au2 C80 C82 C83 -113.3(3) . . . . ?
C87 C82 C83 C84 1.8(5) . . . . ?
C80 C82 C83 C84 176.4(3) . . . . ?
C82 C83 C84 C85 0.5(6) . . . . ?
C83 C84 C85 C86 -1.3(6) . . . . ?
C84 C85 C86 C87 -0.3(6) . . . . ?
C85 C86 C87 C82 2.7(6) . . . . ?
C83 C82 C87 C86 -3.4(5) . . . . ?
C80 C82 C87 C86 -178.0(3) . . . . ?
C81 P3 C88 C89 5.9(3) . . . . ?
C94 P3 C88 C89 -116.3(3) . . . . ?
C97 P3 C88 C89 127.5(2) . . . . ?
C81 P3 C88 C93 -169.8(3) . . . . ?
C94 P3 C88 C93 67.9(3) . . . . ?
C97 P3 C88 C93 -48.3(3) . . . . ?
C93 C88 C89 C90 0.5(5) . . . . ?
P3 C88 C89 C90 -175.4(2) . . . . ?
C93 C88 C89 B2 180.0(3) . . . . ?
P3 C88 C89 B2 4.0(4) . . . . ?
C100 B2 C89 C90 46.1(4) . . . . ?
C108 B2 C89 C90 -78.4(4) . . . . ?
C81 B2 C89 C90 166.3(3) . . . . ?
C100 B2 C89 C88 -133.3(3) . . . . ?
C108 B2 C89 C88 102.2(3) . . . . ?
C81 B2 C89 C88 -13.1(4) . . . . ?
C88 C89 C90 C91 -1.6(5) . . . . ?
B2 C89 C90 C91 179.0(3) . . . . ?
C89 C90 C91 C92 2.0(5) . . . . ?
C90 C91 C92 C93 -1.2(5) . . . . ?
C91 C92 C93 C88 0.2(5) . . . . ?
C89 C88 C93 C92 0.2(5) . . . . ?
P3 C88 C93 C92 175.5(3) . . . . ?
C88 P3 C94 C95 66.0(3) . . . . ?
C81 P3 C94 C95 -44.1(3) . . . . ?
C97 P3 C94 C95 -179.4(3) . . . . ?
C88 P3 C94 C96 -58.4(3) . . . . ?
C81 P3 C94 C96 -168.6(3) . . . . ?
C97 P3 C94 C96 56.2(3) . . . . ?
C88 P3 C97 C98 161.8(3) . . . . ?
C81 P3 C97 C98 -91.2(3) . . . . ?
C94 P3 C97 C98 43.5(3) . . . . ?
C88 P3 C97 C99 -67.6(3) . . . . ?
C81 P3 C97 C99 39.3(3) . . . . ?
C94 P3 C97 C99 174.0(2) . . . . ?
C89 B2 C100 C101 -94.4(4) . . . . ?
C108 B2 C100 C101 27.1(4) . . . . ?
C81 B2 C100 C101 150.8(3) . . . . ?
C89 B2 C100 C105 79.9(3) . . . . ?
C108 B2 C100 C105 -158.6(3) . . . . ?
C81 B2 C100 C105 -34.9(4) . . . . ?
C105 C100 C101 C102 -0.6(4) . . . . ?
B2 C100 C101 C102 173.9(3) . . . . ?
C100 C101 C102 C103 0.1(5) . . . . ?
C100 C101 C102 C106 177.9(3) . . . . ?
C101 C102 C103 C104 0.7(5) . . . . ?
C106 C102 C103 C104 -177.2(3) . . . . ?
C102 C103 C104 C105 -0.9(5) . . . . ?
C102 C103 C104 C107 177.0(3) . . . . ?
C103 C104 C105 C100 0.4(5) . . . . ?
C107 C104 C105 C100 -177.5(3) . . . . ?
C101 C100 C105 C104 0.3(5) . . . . ?
B2 C100 C105 C104 -174.5(3) . . . . ?
C103 C102 C106 F17 -44.1(5) . . . . ?
C101 C102 C106 F17 138.0(4) . . . . ?
C103 C102 C106 F18 77.2(4) . . . . ?
C101 C102 C106 F18 -100.8(4) . . . . ?
C103 C102 C106 F16 -164.6(3) . . . . ?
C101 C102 C106 F16 17.5(5) . . . . ?
C103 C104 C107 F13 127.8(4) . . . . ?
C105 C104 C107 F13 -54.2(5) . . . . ?
C103 C104 C107 F14 4.0(6) . . . . ?
C105 C104 C107 F14 -178.1(3) . . . . ?
C103 C104 C107 F15 -114.4(4) . . . . ?
C105 C104 C107 F15 63.6(5) . . . . ?
C100 B2 C108 C113 -99.5(4) . . . . ?
C89 B2 C108 C113 21.5(4) . . . . ?
C81 B2 C108 C113 134.3(3) . . . . ?
C100 B2 C108 C109 87.5(4) . . . . ?
C89 B2 C108 C109 -151.4(3) . . . . ?
C81 B2 C108 C109 -38.6(4) . . . . ?
C113 C108 C109 C110 -3.0(5) . . . . ?
B2 C108 C109 C110 170.5(3) . . . . ?
C108 C109 C110 C111 2.4(5) . . . . ?
C108 C109 C110 C114 -172.0(3) . . . . ?
C109 C110 C111 C112 0.0(6) . . . . ?
C114 C110 C111 C112 174.4(4) . . . . ?
C110 C111 C112 C113 -1.4(6) . . . . ?
C110 C111 C112 C215 -172.6(9) . . . . ?
C110 C111 C112 C115 177.9(5) . . . . ?
C111 C112 C113 C108 0.7(6) . . . . ?
C215 C112 C113 C108 171.8(9) . . . . ?
C115 C112 C113 C108 -178.6(5) . . . . ?
C109 C108 C113 C112 1.5(5) . . . . ?
B2 C108 C113 C112 -171.9(3) . . . . ?
C109 C110 C114 F21 98.0(4) . . . . ?
C111 C110 C114 F21 -76.4(5) . . . . ?
C109 C110 C114 F19 -20.8(6) . . . . ?
C111 C110 C114 F19 164.8(4) . . . . ?
C109 C110 C114 F20 -142.5(4) . . . . ?
C111 C110 C114 F20 43.1(6) . . . . ?
C111 C112 C115 F24 -120.1(7) . . . . ?
C113 C112 C115 F24 59.3(9) . . . . ?
C111 C112 C115 F23 115.0(8) . . . . ?
C113 C112 C115 F23 -65.7(10) . . . . ?
C111 C112 C115 F22 1.3(10) . . . . ?
C113 C112 C115 F22 -179.3(6) . . . . ?
C111 C112 C215 F24' -56(2) . . . . ?
C113 C112 C215 F24' 133.0(15) . . . . ?
C111 C112 C215 F23' 173.9(13) . . . . ?
C113 C112 C215 F23' 3(2) . . . . ?
C111 C112 C215 F22' 60.2(18) . . . . ?
C113 C112 C215 F22' -111.0(15) . . . . ?
P4 O4 C116 C117 -40.4(4) . . . . ?
P4 O4 C116 C121 143.3(2) . . . . ?
C121 C116 C117 C118 1.8(5) . . . . ?
O4 C116 C117 C118 -174.4(3) . . . . ?
C116 C117 C118 C119 1.3(5) . . . . ?
C117 C118 C119 C120 -3.2(5) . . . . ?
C117 C118 C119 C122 174.9(3) . . . . ?
C118 C119 C120 C121 2.4(5) . . . . ?
C122 C119 C120 C121 -175.7(3) . . . . ?
C119 C120 C121 C116 0.5(5) . . . . ?
C119 C120 C121 C126 -179.0(3) . . . . ?
C117 C116 C121 C120 -2.6(4) . . . . ?
O4 C116 C121 C120 173.6(3) . . . . ?
C117 C116 C121 C126 176.9(3) . . . . ?
O4 C116 C121 C126 -6.8(4) . . . . ?
C118 C119 C122 C224 172.1(9) . . . . ?
C120 C119 C122 C224 -9.9(10) . . . . ?
C118 C119 C122 C125 4.1(6) . . . . ?
C120 C119 C122 C125 -177.9(5) . . . . ?
C118 C119 C122 C225 46.8(9) . . . . ?
C120 C119 C122 C225 -135.2(9) . . . . ?
C118 C119 C122 C124 -121.0(5) . . . . ?
C120 C119 C122 C124 57.0(5) . . . . ?
C118 C119 C122 C123 123.8(5) . . . . ?
C120 C119 C122 C123 -58.2(5) . . . . ?
C118 C119 C122 C223 -65.2(8) . . . . ?
C120 C119 C122 C223 112.8(8) . . . . ?
C120 C121 C126 C127 -116.3(3) . . . . ?
C116 C121 C126 C127 64.1(4) . . . . ?
C120 C121 C126 C129 2.8(5) . . . . ?
C116 C121 C126 C129 -176.7(3) . . . . ?
C120 C121 C126 C128 121.5(3) . . . . ?
C116 C121 C126 C128 -58.1(4) . . . . ?
P4 O5 C130 C131 1.7(4) . . . . ?
P4 O5 C130 C135 -178.3(2) . . . . ?
C135 C130 C131 C132 -2.1(5) . . . . ?
O5 C130 C131 C132 177.9(3) . . . . ?
C130 C131 C132 C133 0.6(5) . . . . ?
C131 C132 C133 C134 0.8(5) . . . . ?
C131 C132 C133 C136 -179.4(3) . . . . ?
C132 C133 C134 C135 -0.9(5) . . . . ?
C136 C133 C134 C135 179.3(3) . . . . ?
C131 C130 C135 C134 2.0(5) . . . . ?
O5 C130 C135 C134 -178.1(3) . . . . ?
C131 C130 C135 C140 -178.0(3) . . . . ?
O5 C130 C135 C140 2.0(5) . . . . ?
C133 C134 C135 C130 -0.4(5) . . . . ?
C133 C134 C135 C140 179.5(3) . . . . ?
C132 C133 C136 C138 -119.1(4) . . . . ?
C134 C133 C136 C138 60.6(4) . . . . ?
C132 C133 C136 C139 121.8(4) . . . . ?
C134 C133 C136 C139 -58.4(5) . . . . ?
C132 C133 C136 C137 2.0(5) . . . . ?
C134 C133 C136 C137 -178.2(3) . . . . ?
C130 C135 C140 C141 178.8(4) . . . . ?
C134 C135 C140 C141 -1.2(5) . . . . ?
C130 C135 C140 C143 58.3(5) . . . . ?
C134 C135 C140 C143 -121.6(4) . . . . ?
C130 C135 C140 C142 -62.9(4) . . . . ?
C134 C135 C140 C142 117.1(4) . . . . ?
P4 O6 C144 C145 11.8(4) . . . . ?
P4 O6 C144 C149 -170.1(2) . . . . ?
C149 C144 C145 C146 1.7(5) . . . . ?
O6 C144 C145 C146 179.6(3) . . . . ?
C144 C145 C146 C147 0.0(5) . . . . ?
C145 C146 C147 C148 -1.7(5) . . . . ?
C145 C146 C147 C150 -176.7(3) . . . . ?
C146 C147 C148 C149 2.0(5) . . . . ?
C150 C147 C148 C149 177.1(3) . . . . ?
C145 C144 C149 C148 -1.4(5) . . . . ?
O6 C144 C149 C148 -179.4(3) . . . . ?
C145 C144 C149 C154 177.3(3) . . . . ?
O6 C144 C149 C154 -0.7(5) . . . . ?
C147 C148 C149 C144 -0.5(5) . . . . ?
C147 C148 C149 C154 -179.3(3) . . . . ?
C146 C147 C150 C152 -135.5(3) . . . . ?
C148 C147 C150 C152 49.7(4) . . . . ?
C146 C147 C150 C151 105.1(4) . . . . ?
C148 C147 C150 C151 -69.7(4) . . . . ?
C146 C147 C150 C153 -14.8(5) . . . . ?
C148 C147 C150 C153 170.4(3) . . . . ?
C144 C149 C154 C156 -64.5(4) . . . . ?
C148 C149 C154 C156 114.1(4) . . . . ?
C144 C149 C154 C157 177.1(3) . . . . ?
C148 C149 C154 C157 -4.2(5) . . . . ?
C144 C149 C154 C155 57.6(4) . . . . ?
C148 C149 C154 C155 -123.7(3) . . . . ?

_refine_diff_density_max         0.709
_refine_diff_density_min         -0.708
_refine_diff_density_rms         0.099

####################################################################### 
# 
# 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_7
_database_code_depnum_ccdc_archive 'CCDC 2035744'
loop_
_audit_author_name
_audit_author_address
'Nathalie Saffon'
;Institut de Chimie de Toulouse
France
;
_audit_update_record             
;
2020-10-06 deposited with the CCDC.	2020-12-02 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         ?
_chemical_formula_sum            'C39 H36 Au B F12 N P'
_chemical_formula_weight         985.43

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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

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

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

_cell_length_a                   15.7366(8)
_cell_length_b                   17.7379(9)
_cell_length_c                   29.4924(17)
_cell_angle_alpha                90
_cell_angle_beta                 105.0068(17)
_cell_angle_gamma                90
_cell_volume                     7951.6(7)
_cell_formula_units_Z            8
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9957
_cell_measurement_theta_min      3.03
_cell_measurement_theta_max      27.05

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.646
_exptl_crystal_F_000             3872
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.160
_exptl_absorpt_coefficient_mu    3.826
_shelx_estimated_absorpt_T_min   0.515
_shelx_estimated_absorpt_T_max   0.580
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6437
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_absorpt_special_details   
;
SADABS-2016/2 Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker D8-Venture CMOS detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_reflns_number            112297
_diffrn_reflns_av_unetI/netI     0.0406
_diffrn_reflns_av_R_equivalents  0.0731
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_theta_min         2.860
_diffrn_reflns_theta_max         28.342
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             9900
_reflns_number_gt                7092
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT (Sheldrick 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0168P)²+21.1946P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     'dual space'
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9900
_refine_ls_number_parameters     558
_refine_ls_number_restraints     174
_refine_ls_R_factor_all          0.0698
_refine_ls_R_factor_gt           0.0332
_refine_ls_wR_factor_ref         0.0627
_refine_ls_wR_factor_gt          0.0531
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_restrained_S_all      1.082
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.55588(2) 0.37939(2) 0.33233(2) 0.03643(5) Uani 1 1 d . . . . .
P1 P 0.72916(5) 0.52611(5) 0.25776(3) 0.02608(18) Uani 1 1 d . . . . .
N1 N 0.46249(19) 0.30510(17) 0.40208(11) 0.0401(7) Uani 1 1 d . . . . .
B1 B 0.7752(2) 0.4825(2) 0.35106(13) 0.0248(8) Uani 1 1 d . . . . .
C1 C 0.4924(2) 0.3360(2) 0.37603(14) 0.0432(9) Uani 1 1 d . . . . .
C2 C 0.6276(2) 0.41616(19) 0.28770(12) 0.0322(8) Uani 1 1 d . . . . .
H2A H 0.664870 0.373949 0.282252 0.039 Uiso 1 1 calc R U . . .
H2B H 0.586100 0.428466 0.257164 0.039 Uiso 1 1 calc R U . . .
C3 C 0.68733(19) 0.48531(18) 0.30392(11) 0.0259(7) Uani 1 1 d . . . . .
H3 H 0.647736 0.524696 0.311565 0.031 Uiso 1 1 calc R U . . .
C4 C 0.8281(2) 0.56791(18) 0.29236(11) 0.0276(7) Uani 1 1 d . . . . .
C5 C 0.8423(2) 0.54588(17) 0.33959(11) 0.0265(7) Uani 1 1 d . . . . .
C6 C 0.9164(2) 0.57750(19) 0.37084(12) 0.0325(8) Uani 1 1 d . . . . .
H6 H 0.928871 0.564908 0.403202 0.039 Uiso 1 1 calc R U . . .
C7 C 0.9718(2) 0.6266(2) 0.35576(13) 0.0402(8) Uani 1 1 d . . . . .
H7 H 1.021971 0.646256 0.377787 0.048 Uiso 1 1 calc R U . . .
C8 C 0.9550(2) 0.6473(2) 0.30917(14) 0.0435(9) Uani 1 1 d . . . . .
H8 H 0.993230 0.681374 0.299301 0.052 Uiso 1 1 calc R U . . .
C9 C 0.8825(2) 0.6182(2) 0.27692(13) 0.0401(8) Uani 1 1 d . . . . .
H9 H 0.870036 0.632348 0.244790 0.048 Uiso 1 1 calc R U . . .
C10 C 0.7469(2) 0.4568(2) 0.21490(12) 0.0360(8) Uani 1 1 d . . . . .
H10 H 0.689492 0.430733 0.201648 0.043 Uiso 1 1 calc R U . . .
C11 C 0.7736(3) 0.4938(2) 0.17388(14) 0.0597(12) Uani 1 1 d . . . . .
H11A H 0.829655 0.520339 0.185619 0.090 Uiso 1 1 calc R U . . .
H11B H 0.728169 0.529801 0.158319 0.090 Uiso 1 1 calc R U . . .
H11C H 0.780246 0.454993 0.151382 0.090 Uiso 1 1 calc R U . . .
C12 C 0.8130(3) 0.3968(2) 0.23789(14) 0.0475(10) Uani 1 1 d . . . . .
H12A H 0.817979 0.359109 0.214418 0.071 Uiso 1 1 calc R U . . .
H12B H 0.793067 0.372277 0.263099 0.071 Uiso 1 1 calc R U . . .
H12C H 0.870464 0.420271 0.250988 0.071 Uiso 1 1 calc R U . . .
C13 C 0.6584(2) 0.59963(18) 0.22475(11) 0.0305(7) Uani 1 1 d . . . . .
H13 H 0.688207 0.620657 0.201424 0.037 Uiso 1 1 calc R U . . .
C14 C 0.6458(3) 0.6640(2) 0.25658(13) 0.0466(10) Uani 1 1 d . . . . .
H14A H 0.609201 0.703254 0.237694 0.070 Uiso 1 1 calc R U . . .
H14B H 0.703281 0.685270 0.272519 0.070 Uiso 1 1 calc R U . . .
H14C H 0.616933 0.644964 0.279988 0.070 Uiso 1 1 calc R U . . .
C15 C 0.5697(2) 0.5672(2) 0.19738(14) 0.0442(9) Uani 1 1 d . . . . .
H15A H 0.540789 0.542922 0.219233 0.066 Uiso 1 1 calc R U . . .
H15B H 0.579334 0.529915 0.174673 0.066 Uiso 1 1 calc R U . . .
H15C H 0.532386 0.607942 0.180703 0.066 Uiso 1 1 calc R U . . .
C16 C 0.82271(19) 0.39947(17) 0.35746(10) 0.0245(7) Uani 1 1 d . . . . .
C17 C 0.90651(19) 0.38481(19) 0.35201(10) 0.0265(7) Uani 1 1 d . . . . .
H17 H 0.939956 0.425445 0.344662 0.032 Uiso 1 1 calc R U . . .
C18 C 0.9428(2) 0.31329(19) 0.35690(11) 0.0288(7) Uani 1 1 d . . . . .
C19 C 0.8974(2) 0.25266(19) 0.36833(11) 0.0301(7) Uani 1 1 d . . . . .
H19 H 0.921959 0.203404 0.371254 0.036 Uiso 1 1 calc R U . . .
C20 C 0.8148(2) 0.26585(17) 0.37545(11) 0.0256(7) Uani 1 1 d . . . . .
C21 C 0.77946(19) 0.33762(18) 0.37059(11) 0.0259(7) Uani 1 1 d . . . . .
H21 H 0.723468 0.345251 0.376412 0.031 Uiso 1 1 calc R U . . .
C22 C 1.0322(2) 0.3023(2) 0.34941(14) 0.0405(9) Uani 1 1 d D U . . .
F1 F 1.09182(19) 0.3464(2) 0.37471(17) 0.0793(14) Uani 0.882(5) 1 d D U P A 1
F2 F 1.0318(2) 0.3147(3) 0.30483(12) 0.0877(14) Uani 0.882(5) 1 d D U P A 1
F3 F 1.0615(2) 0.23214(16) 0.35656(18) 0.0778(13) Uani 0.882(5) 1 d D U P A 1
F1' F 1.0890(11) 0.2803(18) 0.3897(6) 0.066(5) Uani 0.118(5) 1 d D U P A 2
F2' F 1.0696(14) 0.3672(10) 0.3415(11) 0.065(5) Uani 0.118(5) 1 d D U P A 2
F3' F 1.0411(13) 0.2582(15) 0.3187(9) 0.058(5) Uani 0.118(5) 1 d D U P A 2
C23 C 0.7617(2) 0.2025(2) 0.38702(14) 0.0386(8) Uani 1 1 d . . . . .
F4 F 0.69800(15) 0.18075(13) 0.34968(9) 0.0620(7) Uani 1 1 d . . . . .
F5 F 0.80925(14) 0.14060(11) 0.40187(9) 0.0513(6) Uani 1 1 d . . . . .
F6 F 0.72205(18) 0.22061(13) 0.42014(10) 0.0664(7) Uani 1 1 d . . . . .
C24 C 0.7485(2) 0.49893(17) 0.40029(11) 0.0254(7) Uani 1 1 d . . . . .
C25 C 0.8091(2) 0.48335(18) 0.44322(11) 0.0297(7) Uani 1 1 d . . . . .
H25 H 0.865737 0.465263 0.442842 0.036 Uiso 1 1 calc R U . . .
C26 C 0.7902(2) 0.49309(19) 0.48624(12) 0.0336(8) Uani 1 1 d . . . . .
C27 C 0.7084(2) 0.5184(2) 0.48833(12) 0.0373(8) Uani 1 1 d . . . . .
H27 H 0.694730 0.524659 0.517648 0.045 Uiso 1 1 calc R U . . .
C28 C 0.6471(2) 0.53450(19) 0.44687(12) 0.0335(8) Uani 1 1 d . . . . .
C29 C 0.6670(2) 0.52523(18) 0.40380(11) 0.0283(7) Uani 1 1 d . . . . .
H29 H 0.623423 0.537257 0.375845 0.034 Uiso 1 1 calc R U . . .
C30 C 0.8588(3) 0.4747(2) 0.53036(13) 0.0486(10) Uani 1 1 d D . . . .
F7 F 0.8995(9) 0.4094(6) 0.5292(3) 0.094(4) Uani 0.540(15) 1 d D U P B 1
F8 F 0.9245(8) 0.5226(6) 0.5402(5) 0.095(4) Uani 0.540(15) 1 d D U P B 1
F9 F 0.8295(6) 0.4703(10) 0.5677(3) 0.091(3) Uani 0.540(15) 1 d D U P B 1
F7' F 0.8495(9) 0.5174(9) 0.5660(4) 0.089(4) Uani 0.460(15) 1 d D U P B 2
F8' F 0.8531(10) 0.4069(6) 0.5425(5) 0.100(4) Uani 0.460(15) 1 d D U P B 2
F9' F 0.9375(7) 0.4882(11) 0.5276(4) 0.090(4) Uani 0.460(15) 1 d D U P B 2
C31 C 0.5573(3) 0.5611(3) 0.44739(15) 0.0501(11) Uani 1 1 d . . . . .
F10 F 0.54749(17) 0.57304(17) 0.48997(9) 0.0724(8) Uani 1 1 d . . . . .
F11 F 0.5358(2) 0.62435(19) 0.42368(12) 0.1024(12) Uani 1 1 d . . . . .
F12 F 0.49462(17) 0.5124(2) 0.42712(11) 0.0921(10) Uani 1 1 d . . . . .
C32 C 0.4277(2) 0.26556(19) 0.43404(13) 0.0354(8) Uani 1 1 d . . . . .
C33 C 0.4835(3) 0.2486(2) 0.47747(14) 0.0514(11) Uani 1 1 d . . . . .
C34 C 0.4454(4) 0.2089(3) 0.50821(17) 0.0749(15) Uani 1 1 d . . . . .
H34 H 0.480465 0.195344 0.538451 0.090 Uiso 1 1 calc R U . . .
C35 C 0.3584(4) 0.1892(3) 0.4953(2) 0.0787(17) Uani 1 1 d . . . . .
H35 H 0.333707 0.163613 0.517157 0.094 Uiso 1 1 calc R U . . .
C36 C 0.3064(3) 0.2056(3) 0.45194(19) 0.0662(14) Uani 1 1 d . . . . .
H36 H 0.246450 0.190510 0.443861 0.079 Uiso 1 1 calc R U . . .
C37 C 0.3396(3) 0.2438(2) 0.41939(15) 0.0476(10) Uani 1 1 d . . . . .
C38 C 0.2863(3) 0.2598(3) 0.37073(17) 0.0777(16) Uani 1 1 d . . . . .
H38A H 0.278472 0.314336 0.366405 0.117 Uiso 1 1 calc R U . . .
H38B H 0.228581 0.235538 0.365615 0.117 Uiso 1 1 calc R U . . .
H38C H 0.316644 0.239903 0.348157 0.117 Uiso 1 1 calc R U . . .
C39 C 0.5776(3) 0.2728(4) 0.49029(18) 0.0843(17) Uani 1 1 d . . . . .
H39A H 0.607741 0.250349 0.468373 0.126 Uiso 1 1 calc R U . . .
H39B H 0.606114 0.256148 0.522292 0.126 Uiso 1 1 calc R U . . .
H39C H 0.580707 0.327904 0.488609 0.126 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 C1 1.979(4) . ?
Au1 C2 2.049(3) . ?
P1 C4 1.787(3) . ?
P1 C3 1.810(3) . ?
P1 C13 1.824(3) . ?
P1 C10 1.836(3) . ?
N1 C1 1.140(5) . ?
N1 C32 1.396(4) . ?
B1 C5 1.636(5) . ?
B1 C24 1.638(5) . ?
B1 C16 1.641(5) . ?
B1 C3 1.688(5) . ?
C2 C3 1.544(4) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 H3 1.0000 . ?
C4 C9 1.393(5) . ?
C4 C5 1.408(4) . ?
C5 C6 1.402(4) . ?
C6 C7 1.384(5) . ?
C6 H6 0.9500 . ?
C7 C8 1.380(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.382(5) . ?
C8 H8 0.9500 . ?
C9 H9 0.9500 . ?
C10 C12 1.519(5) . ?
C10 C11 1.528(5) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.523(5) . ?
C13 C15 1.532(5) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.394(4) . ?
C16 C21 1.398(4) . ?
C17 C18 1.383(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.380(5) . ?
C18 C22 1.491(4) . ?
C19 C20 1.390(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.382(4) . ?
C20 C23 1.491(5) . ?
C21 H21 0.9500 . ?
C22 F3' 1.234(14) . ?
C22 F1 1.298(5) . ?
C22 F3 1.326(5) . ?
C22 F2 1.332(5) . ?
C22 F2' 1.341(15) . ?
C22 F1' 1.346(14) . ?
C23 F6 1.328(4) . ?
C23 F5 1.336(4) . ?
C23 F4 1.340(4) . ?
C24 C29 1.394(4) . ?
C24 C25 1.401(4) . ?
C25 C26 1.387(5) . ?
C25 H25 0.9500 . ?
C26 C27 1.380(5) . ?
C26 C30 1.495(5) . ?
C27 C28 1.377(5) . ?
C27 H27 0.9500 . ?
C28 C29 1.394(5) . ?
C28 C31 1.493(5) . ?
C29 H29 0.9500 . ?
C30 F8' 1.264(9) . ?
C30 F9' 1.284(10) . ?
C30 F9 1.301(8) . ?
C30 F8 1.311(10) . ?
C30 F7 1.328(8) . ?
C30 F7' 1.335(9) . ?
C31 F11 1.319(5) . ?
C31 F10 1.321(4) . ?
C31 F12 1.332(5) . ?
C32 C33 1.386(5) . ?
C32 C37 1.394(5) . ?
C33 C34 1.400(6) . ?
C33 C39 1.494(6) . ?
C34 C35 1.368(7) . ?
C34 H34 0.9500 . ?
C35 C36 1.359(7) . ?
C35 H35 0.9500 . ?
C36 C37 1.384(6) . ?
C36 H36 0.9500 . ?
C37 C38 1.490(6) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 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
C1 Au1 C2 175.19(15) . . ?
C4 P1 C3 99.74(15) . . ?
C4 P1 C13 109.23(15) . . ?
C3 P1 C13 113.36(15) . . ?
C4 P1 C10 113.94(16) . . ?
C3 P1 C10 113.58(16) . . ?
C13 P1 C10 106.99(16) . . ?
C1 N1 C32 178.3(4) . . ?
C5 B1 C24 112.8(3) . . ?
C5 B1 C16 109.9(2) . . ?
C24 B1 C16 105.7(2) . . ?
C5 B1 C3 104.1(2) . . ?
C24 B1 C3 112.5(2) . . ?
C16 B1 C3 111.9(3) . . ?
N1 C1 Au1 172.8(3) . . ?
C3 C2 Au1 116.5(2) . . ?
C3 C2 H2A 108.2 . . ?
Au1 C2 H2A 108.2 . . ?
C3 C2 H2B 108.2 . . ?
Au1 C2 H2B 108.2 . . ?
H2A C2 H2B 107.3 . . ?
C2 C3 B1 122.3(3) . . ?
C2 C3 P1 113.3(2) . . ?
B1 C3 P1 104.6(2) . . ?
C2 C3 H3 105.0 . . ?
B1 C3 H3 105.0 . . ?
P1 C3 H3 105.0 . . ?
C9 C4 C5 123.2(3) . . ?
C9 C4 P1 126.7(3) . . ?
C5 C4 P1 110.0(2) . . ?
C6 C5 C4 115.5(3) . . ?
C6 C5 B1 127.6(3) . . ?
C4 C5 B1 116.7(3) . . ?
C7 C6 C5 121.7(3) . . ?
C7 C6 H6 119.1 . . ?
C5 C6 H6 119.1 . . ?
C8 C7 C6 120.9(3) . . ?
C8 C7 H7 119.6 . . ?
C6 C7 H7 119.6 . . ?
C7 C8 C9 119.8(3) . . ?
C7 C8 H8 120.1 . . ?
C9 C8 H8 120.1 . . ?
C8 C9 C4 118.8(3) . . ?
C8 C9 H9 120.6 . . ?
C4 C9 H9 120.6 . . ?
C12 C10 C11 111.0(3) . . ?
C12 C10 P1 111.7(2) . . ?
C11 C10 P1 112.3(3) . . ?
C12 C10 H10 107.2 . . ?
C11 C10 H10 107.2 . . ?
P1 C10 H10 107.2 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C15 111.2(3) . . ?
C14 C13 P1 111.5(2) . . ?
C15 C13 P1 111.1(2) . . ?
C14 C13 H13 107.6 . . ?
C15 C13 H13 107.6 . . ?
P1 C13 H13 107.6 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C21 115.4(3) . . ?
C17 C16 B1 124.8(3) . . ?
C21 C16 B1 119.8(3) . . ?
C18 C17 C16 122.5(3) . . ?
C18 C17 H17 118.8 . . ?
C16 C17 H17 118.8 . . ?
C19 C18 C17 120.9(3) . . ?
C19 C18 C22 120.1(3) . . ?
C17 C18 C22 118.9(3) . . ?
C18 C19 C20 118.0(3) . . ?
C18 C19 H19 121.0 . . ?
C20 C19 H19 121.0 . . ?
C21 C20 C19 120.4(3) . . ?
C21 C20 C23 119.0(3) . . ?
C19 C20 C23 120.6(3) . . ?
C20 C21 C16 122.7(3) . . ?
C20 C21 H21 118.6 . . ?
C16 C21 H21 118.6 . . ?
F1 C22 F3 107.7(4) . . ?
F1 C22 F2 106.6(4) . . ?
F3 C22 F2 103.0(4) . . ?
F3' C22 F2' 106.1(15) . . ?
F3' C22 F1' 106.7(15) . . ?
F2' C22 F1' 100.5(15) . . ?
F3' C22 C18 118.9(10) . . ?
F1 C22 C18 113.9(3) . . ?
F3 C22 C18 113.7(3) . . ?
F2 C22 C18 111.2(3) . . ?
F2' C22 C18 112.8(9) . . ?
F1' C22 C18 110.1(8) . . ?
F6 C23 F5 106.7(3) . . ?
F6 C23 F4 106.3(3) . . ?
F5 C23 F4 105.6(3) . . ?
F6 C23 C20 112.5(3) . . ?
F5 C23 C20 113.3(3) . . ?
F4 C23 C20 111.9(3) . . ?
C29 C24 C25 115.0(3) . . ?
C29 C24 B1 125.2(3) . . ?
C25 C24 B1 119.7(3) . . ?
C26 C25 C24 123.1(3) . . ?
C26 C25 H25 118.5 . . ?
C24 C25 H25 118.5 . . ?
C27 C26 C25 120.3(3) . . ?
C27 C26 C30 120.2(3) . . ?
C25 C26 C30 119.5(3) . . ?
C28 C27 C26 118.4(3) . . ?
C28 C27 H27 120.8 . . ?
C26 C27 H27 120.8 . . ?
C27 C28 C29 120.9(3) . . ?
C27 C28 C31 120.2(3) . . ?
C29 C28 C31 118.9(3) . . ?
C24 C29 C28 122.4(3) . . ?
C24 C29 H29 118.8 . . ?
C28 C29 H29 118.8 . . ?
F8' C30 F9' 109.6(8) . . ?
F9 C30 F8 106.4(7) . . ?
F9 C30 F7 104.5(6) . . ?
F8 C30 F7 102.2(7) . . ?
F8' C30 F7' 106.6(7) . . ?
F9' C30 F7' 104.2(7) . . ?
F8' C30 C26 111.5(6) . . ?
F9' C30 C26 113.3(6) . . ?
F9 C30 C26 114.6(5) . . ?
F8 C30 C26 113.6(6) . . ?
F7 C30 C26 114.3(4) . . ?
F7' C30 C26 111.1(5) . . ?
F11 C31 F10 106.9(4) . . ?
F11 C31 F12 104.8(4) . . ?
F10 C31 F12 106.0(3) . . ?
F11 C31 C28 112.1(3) . . ?
F10 C31 C28 113.9(4) . . ?
F12 C31 C28 112.5(3) . . ?
C33 C32 C37 124.6(4) . . ?
C33 C32 N1 117.9(3) . . ?
C37 C32 N1 117.5(3) . . ?
C32 C33 C34 115.6(4) . . ?
C32 C33 C39 121.4(4) . . ?
C34 C33 C39 123.0(5) . . ?
C35 C34 C33 120.9(5) . . ?
C35 C34 H34 119.5 . . ?
C33 C34 H34 119.5 . . ?
C36 C35 C34 121.5(5) . . ?
C36 C35 H35 119.2 . . ?
C34 C35 H35 119.2 . . ?
C35 C36 C37 120.9(5) . . ?
C35 C36 H36 119.5 . . ?
C37 C36 H36 119.5 . . ?
C36 C37 C32 116.3(4) . . ?
C36 C37 C38 122.8(4) . . ?
C32 C37 C38 120.8(4) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C33 C39 H39A 109.5 . . ?
C33 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C33 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 C2 C3 B1 66.0(3) . . . . ?
Au1 C2 C3 P1 -167.36(15) . . . . ?
C5 B1 C3 C2 152.2(3) . . . . ?
C24 B1 C3 C2 -85.3(4) . . . . ?
C16 B1 C3 C2 33.5(4) . . . . ?
C5 B1 C3 P1 21.8(3) . . . . ?
C24 B1 C3 P1 144.3(2) . . . . ?
C16 B1 C3 P1 -96.9(3) . . . . ?
C4 P1 C3 C2 -153.5(2) . . . . ?
C13 P1 C3 C2 90.5(3) . . . . ?
C10 P1 C3 C2 -31.9(3) . . . . ?
C4 P1 C3 B1 -18.0(2) . . . . ?
C13 P1 C3 B1 -134.0(2) . . . . ?
C10 P1 C3 B1 103.6(2) . . . . ?
C3 P1 C4 C9 -169.0(3) . . . . ?
C13 P1 C4 C9 -49.9(4) . . . . ?
C10 P1 C4 C9 69.7(3) . . . . ?
C3 P1 C4 C5 7.8(3) . . . . ?
C13 P1 C4 C5 126.9(2) . . . . ?
C10 P1 C4 C5 -113.6(2) . . . . ?
C9 C4 C5 C6 -0.6(5) . . . . ?
P1 C4 C5 C6 -177.5(2) . . . . ?
C9 C4 C5 B1 -176.6(3) . . . . ?
P1 C4 C5 B1 6.5(3) . . . . ?
C24 B1 C5 C6 43.4(4) . . . . ?
C16 B1 C5 C6 -74.3(4) . . . . ?
C3 B1 C5 C6 165.7(3) . . . . ?
C24 B1 C5 C4 -141.2(3) . . . . ?
C16 B1 C5 C4 101.0(3) . . . . ?
C3 B1 C5 C4 -19.0(4) . . . . ?
C4 C5 C6 C7 -0.5(5) . . . . ?
B1 C5 C6 C7 174.9(3) . . . . ?
C5 C6 C7 C8 1.1(6) . . . . ?
C6 C7 C8 C9 -0.6(6) . . . . ?
C7 C8 C9 C4 -0.5(6) . . . . ?
C5 C4 C9 C8 1.1(5) . . . . ?
P1 C4 C9 C8 177.5(3) . . . . ?
C4 P1 C10 C12 53.2(3) . . . . ?
C3 P1 C10 C12 -60.1(3) . . . . ?
C13 P1 C10 C12 174.0(3) . . . . ?
C4 P1 C10 C11 -72.2(3) . . . . ?
C3 P1 C10 C11 174.4(3) . . . . ?
C13 P1 C10 C11 48.6(3) . . . . ?
C4 P1 C13 C14 -51.2(3) . . . . ?
C3 P1 C13 C14 59.1(3) . . . . ?
C10 P1 C13 C14 -175.0(3) . . . . ?
C4 P1 C13 C15 -175.7(2) . . . . ?
C3 P1 C13 C15 -65.5(3) . . . . ?
C10 P1 C13 C15 60.5(3) . . . . ?
C5 B1 C16 C17 -2.4(4) . . . . ?
C24 B1 C16 C17 -124.5(3) . . . . ?
C3 B1 C16 C17 112.8(3) . . . . ?
C5 B1 C16 C21 175.7(3) . . . . ?
C24 B1 C16 C21 53.6(4) . . . . ?
C3 B1 C16 C21 -69.1(4) . . . . ?
C21 C16 C17 C18 3.1(4) . . . . ?
B1 C16 C17 C18 -178.7(3) . . . . ?
C16 C17 C18 C19 -1.1(5) . . . . ?
C16 C17 C18 C22 178.6(3) . . . . ?
C17 C18 C19 C20 -0.9(5) . . . . ?
C22 C18 C19 C20 179.3(3) . . . . ?
C18 C19 C20 C21 0.7(5) . . . . ?
C18 C19 C20 C23 178.9(3) . . . . ?
C19 C20 C21 C16 1.5(5) . . . . ?
C23 C20 C21 C16 -176.7(3) . . . . ?
C17 C16 C21 C20 -3.4(4) . . . . ?
B1 C16 C21 C20 178.3(3) . . . . ?
C19 C18 C22 F3' 58.8(19) . . . . ?
C17 C18 C22 F3' -121.0(18) . . . . ?
C19 C18 C22 F1 -126.3(4) . . . . ?
C17 C18 C22 F1 54.0(5) . . . . ?
C19 C18 C22 F3 -2.4(5) . . . . ?
C17 C18 C22 F3 177.8(4) . . . . ?
C19 C18 C22 F2 113.3(4) . . . . ?
C17 C18 C22 F2 -66.5(5) . . . . ?
C19 C18 C22 F2' -176.1(15) . . . . ?
C17 C18 C22 F2' 4.2(15) . . . . ?
C19 C18 C22 F1' -64.7(15) . . . . ?
C17 C18 C22 F1' 115.5(15) . . . . ?
C21 C20 C23 F6 -43.6(4) . . . . ?
C19 C20 C23 F6 138.3(3) . . . . ?
C21 C20 C23 F5 -164.7(3) . . . . ?
C19 C20 C23 F5 17.1(5) . . . . ?
C21 C20 C23 F4 76.0(4) . . . . ?
C19 C20 C23 F4 -102.2(4) . . . . ?
C5 B1 C24 C29 106.8(3) . . . . ?
C16 B1 C24 C29 -133.0(3) . . . . ?
C3 B1 C24 C29 -10.7(4) . . . . ?
C5 B1 C24 C25 -75.9(4) . . . . ?
C16 B1 C24 C25 44.3(4) . . . . ?
C3 B1 C24 C25 166.6(3) . . . . ?
C29 C24 C25 C26 0.0(5) . . . . ?
B1 C24 C25 C26 -177.5(3) . . . . ?
C24 C25 C26 C27 0.7(5) . . . . ?
C24 C25 C26 C30 179.7(3) . . . . ?
C25 C26 C27 C28 -0.8(5) . . . . ?
C30 C26 C27 C28 -179.8(3) . . . . ?
C26 C27 C28 C29 0.2(5) . . . . ?
C26 C27 C28 C31 179.2(3) . . . . ?
C25 C24 C29 C28 -0.6(5) . . . . ?
B1 C24 C29 C28 176.7(3) . . . . ?
C27 C28 C29 C24 0.6(5) . . . . ?
C31 C28 C29 C24 -178.4(3) . . . . ?
C27 C26 C30 F8' 88.4(12) . . . . ?
C25 C26 C30 F8' -90.6(12) . . . . ?
C27 C26 C30 F9' -147.4(11) . . . . ?
C25 C26 C30 F9' 33.6(11) . . . . ?
C27 C26 C30 F9 12.8(10) . . . . ?
C25 C26 C30 F9 -166.2(10) . . . . ?
C27 C26 C30 F8 -109.8(9) . . . . ?
C25 C26 C30 F8 71.2(9) . . . . ?
C27 C26 C30 F7 133.3(10) . . . . ?
C25 C26 C30 F7 -45.7(10) . . . . ?
C27 C26 C30 F7' -30.4(10) . . . . ?
C25 C26 C30 F7' 150.6(10) . . . . ?
C27 C28 C31 F11 127.0(4) . . . . ?
C29 C28 C31 F11 -54.0(5) . . . . ?
C27 C28 C31 F10 5.5(6) . . . . ?
C29 C28 C31 F10 -175.5(3) . . . . ?
C27 C28 C31 F12 -115.1(4) . . . . ?
C29 C28 C31 F12 63.9(5) . . . . ?
C37 C32 C33 C34 -2.1(6) . . . . ?
N1 C32 C33 C34 -180.0(4) . . . . ?
C37 C32 C33 C39 178.9(4) . . . . ?
N1 C32 C33 C39 1.1(6) . . . . ?
C32 C33 C34 C35 -0.4(7) . . . . ?
C39 C33 C34 C35 178.6(5) . . . . ?
C33 C34 C35 C36 1.9(8) . . . . ?
C34 C35 C36 C37 -1.0(8) . . . . ?
C35 C36 C37 C32 -1.4(7) . . . . ?
C35 C36 C37 C38 177.1(5) . . . . ?
C33 C32 C37 C36 3.0(6) . . . . ?
N1 C32 C37 C36 -179.2(4) . . . . ?
C33 C32 C37 C38 -175.5(4) . . . . ?
N1 C32 C37 C38 2.3(6) . . . . ?

_refine_diff_density_max         1.296
_refine_diff_density_min         -1.019
_refine_diff_density_rms         0.105

####################################################################### 
# 
# 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_6
_database_code_depnum_ccdc_archive 'CCDC 2035743'
loop_
_audit_author_name
_audit_author_address
'Nathalie Saffon'
;Institut de Chimie de Toulouse
France
;
_audit_update_record             
;
2020-10-06 deposited with the CCDC.	2020-12-02 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         ?
_chemical_formula_sum            'C39 H36 Au B F12 N P'
_chemical_formula_weight         985.43

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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   11.2978(7)
_cell_length_b                   13.6927(10)
_cell_length_c                   14.2787(10)
_cell_angle_alpha                108.722(2)
_cell_angle_beta                 100.2329(19)
_cell_angle_gamma                102.5317(19)
_cell_volume                     1967.7(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    7967
_cell_measurement_theta_min      2.66
_cell_measurement_theta_max      21.18

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.663
_exptl_crystal_F_000             968
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    3.865
_shelx_estimated_absorpt_T_min   0.512
_shelx_estimated_absorpt_T_max   0.927
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6420
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'incoatec microfocus sealed tube'
_diffrn_measurement_device_type  'Bruker kappa APEX-II CCD Quazar'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            50155
_diffrn_reflns_av_unetI/netI     0.0597
_diffrn_reflns_av_R_equivalents  0.0801
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         3.313
_diffrn_reflns_theta_max         25.682
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             7406
_reflns_number_gt                6015
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT (Sheldrick 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0189P)²+1.9633P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     'dual space'
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7406
_refine_ls_number_parameters     558
_refine_ls_number_restraints     138
_refine_ls_R_factor_all          0.0534
_refine_ls_R_factor_gt           0.0349
_refine_ls_wR_factor_ref         0.0635
_refine_ls_wR_factor_gt          0.0584
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.16230(2) 0.78065(2) 0.74550(2) 0.02896(7) Uani 1 1 d . . . . .
P1 P 0.21235(11) 0.95124(9) 0.73693(9) 0.0294(3) Uani 1 1 d . . . . .
N1 N 0.2691(3) 0.7268(3) 0.9368(3) 0.0367(10) Uani 1 1 d . . . . .
B1 B 0.1933(4) 0.7298(4) 0.5219(4) 0.0251(11) Uani 1 1 d . . . . .
C1 C 0.2204(4) 0.7433(4) 0.8678(4) 0.0396(12) Uani 1 1 d . . . . .
C2 C 0.0760(4) 0.7070(3) 0.5728(3) 0.0264(10) Uani 1 1 d . . . . .
H2 H 0.005654 0.734530 0.549525 0.032 Uiso 1 1 calc R U . . .
C3 C 0.0400(4) 0.6280(4) 0.6114(3) 0.0345(11) Uani 1 1 d . . . . .
H3A H 0.076581 0.567169 0.592946 0.041 Uiso 1 1 calc R U . . .
H3B H -0.050155 0.605146 0.609057 0.041 Uiso 1 1 calc R U . . .
C4 C 0.2474(4) 0.8589(3) 0.5377(3) 0.0227(9) Uani 1 1 d . . . . .
C5 C 0.2550(4) 0.9526(3) 0.6202(3) 0.0266(10) Uani 1 1 d . . . . .
C6 C 0.3002(4) 1.0557(4) 0.6172(4) 0.0392(12) Uani 1 1 d . . . . .
H6 H 0.300699 1.117252 0.672437 0.047 Uiso 1 1 calc R U . . .
C7 C 0.3432(4) 1.0700(4) 0.5372(4) 0.0409(12) Uani 1 1 d . . . . .
H7 H 0.372206 1.140240 0.536470 0.049 Uiso 1 1 calc R U . . .
C8 C 0.3436(4) 0.9808(4) 0.4582(4) 0.0391(12) Uani 1 1 d . . . . .
H8 H 0.376533 0.988893 0.403484 0.047 Uiso 1 1 calc R U . . .
C9 C 0.2960(4) 0.8794(4) 0.4588(4) 0.0329(11) Uani 1 1 d . . . . .
H9 H 0.295755 0.819168 0.402350 0.039 Uiso 1 1 calc R U . . .
C10 C 0.0825(5) 1.0140(4) 0.7452(4) 0.0448(13) Uani 1 1 d . . . . .
H10 H 0.120762 1.094074 0.773558 0.054 Uiso 1 1 calc R U . . .
C11 C -0.0076(6) 0.9826(6) 0.6408(5) 0.076(2) Uani 1 1 d . . . . .
H11A H -0.050154 0.904902 0.613029 0.115 Uiso 1 1 calc R U . . .
H11B H 0.039400 1.000606 0.594185 0.115 Uiso 1 1 calc R U . . .
H11C H -0.070272 1.022117 0.647892 0.115 Uiso 1 1 calc R U . . .
C12 C 0.0109(5) 0.9853(5) 0.8180(5) 0.0684(18) Uani 1 1 d . . . . .
H12A H -0.050865 1.025572 0.826932 0.103 Uiso 1 1 calc R U . . .
H12B H 0.070001 1.004038 0.884619 0.103 Uiso 1 1 calc R U . . .
H12C H -0.032740 0.907708 0.789313 0.103 Uiso 1 1 calc R U . . .
C13 C 0.3502(4) 1.0484(4) 0.8411(4) 0.0417(13) Uani 1 1 d . . . . .
H13 H 0.367677 1.118626 0.831099 0.050 Uiso 1 1 calc R U . . .
C14 C 0.4645(5) 1.0072(4) 0.8342(4) 0.0546(15) Uani 1 1 d . . . . .
H14A H 0.536780 1.056653 0.891440 0.082 Uiso 1 1 calc R U . . .
H14B H 0.484075 1.003135 0.769132 0.082 Uiso 1 1 calc R U . . .
H14C H 0.446271 0.935296 0.837622 0.082 Uiso 1 1 calc R U . . .
C15 C 0.3269(5) 1.0681(5) 0.9473(4) 0.0643(17) Uani 1 1 d . . . . .
H15A H 0.298568 0.998789 0.954817 0.096 Uiso 1 1 calc R U . . .
H15B H 0.262188 1.105297 0.954367 0.096 Uiso 1 1 calc R U . . .
H15C H 0.405166 1.112690 1.000437 0.096 Uiso 1 1 calc R U . . .
C16 C 0.1290(4) 0.6616(3) 0.3972(3) 0.0247(10) Uani 1 1 d . . . . .
C17 C 0.1702(4) 0.5829(3) 0.3336(3) 0.0252(10) Uani 1 1 d . . . . .
H17 H 0.240837 0.564995 0.362663 0.030 Uiso 1 1 calc R U . . .
C18 C 0.1119(4) 0.5296(3) 0.2290(3) 0.0286(10) Uani 1 1 d . . . . .
C19 C 0.0088(4) 0.5536(3) 0.1836(3) 0.0286(10) Uani 1 1 d . . . . .
H19 H -0.031806 0.517014 0.112429 0.034 Uiso 1 1 calc R U . . .
C20 C -0.0336(4) 0.6325(3) 0.2448(3) 0.0240(10) Uani 1 1 d . . . . .
C21 C 0.0245(4) 0.6844(3) 0.3481(3) 0.0254(10) Uani 1 1 d . . . . .
H21 H -0.007023 0.737829 0.387921 0.031 Uiso 1 1 calc R U . . .
C22 C 0.1574(5) 0.4440(4) 0.1652(4) 0.0452(13) Uani 1 1 d D . . . .
F1 F 0.2748(7) 0.4525(12) 0.2065(9) 0.059(3) Uani 0.69(2) 1 d D U P A 1
F2 F 0.0876(10) 0.3462(8) 0.1397(13) 0.093(4) Uani 0.69(2) 1 d D U P A 1
F3 F 0.1632(13) 0.4568(11) 0.0738(6) 0.070(3) Uani 0.69(2) 1 d D U P A 1
F1' F 0.2785(13) 0.460(3) 0.182(2) 0.066(7) Uani 0.31(2) 1 d D U P A 2
F2' F 0.105(3) 0.407(2) 0.0678(12) 0.081(6) Uani 0.31(2) 1 d D U P A 2
F3' F 0.119(3) 0.3524(17) 0.188(2) 0.075(5) Uani 0.31(2) 1 d D U P A 2
C23 C -0.1405(4) 0.6617(4) 0.1932(3) 0.0308(11) Uani 1 1 d . . . . .
F4 F -0.2359(2) 0.5747(2) 0.1318(2) 0.0589(9) Uani 1 1 d . . . . .
F5 F -0.1060(2) 0.7156(2) 0.1345(2) 0.0475(7) Uani 1 1 d . . . . .
F6 F -0.1877(2) 0.7255(2) 0.2598(2) 0.0409(7) Uani 1 1 d . . . . .
C24 C 0.3087(4) 0.6877(3) 0.5656(3) 0.0240(10) Uani 1 1 d . . . . .
C25 C 0.4300(4) 0.7567(4) 0.6187(3) 0.0279(10) Uani 1 1 d . . . . .
H25 H 0.447725 0.830592 0.627193 0.034 Uiso 1 1 calc R U . . .
C26 C 0.5259(4) 0.7208(4) 0.6598(3) 0.0299(11) Uani 1 1 d . . . . .
C27 C 0.5042(4) 0.6137(4) 0.6485(3) 0.0320(11) Uani 1 1 d . . . . .
H27 H 0.568930 0.589244 0.677208 0.038 Uiso 1 1 calc R U . . .
C28 C 0.3859(4) 0.5432(3) 0.5942(3) 0.0276(10) Uani 1 1 d . . . . .
C29 C 0.2905(4) 0.5796(3) 0.5542(3) 0.0280(10) Uani 1 1 d . . . . .
H29 H 0.209996 0.529304 0.517818 0.034 Uiso 1 1 calc R U . . .
C30 C 0.6527(4) 0.7998(4) 0.7178(4) 0.0405(12) Uani 1 1 d D U . . .
F7 F 0.6886(4) 0.8676(5) 0.6753(5) 0.084(2) Uani 0.837(9) 1 d D U P B 1
F8 F 0.6574(5) 0.8538(6) 0.8129(4) 0.094(2) Uani 0.837(9) 1 d D U P B 1
F9 F 0.7426(4) 0.7514(3) 0.7240(5) 0.0734(17) Uani 0.837(9) 1 d D U P B 1
F7' F 0.7444(19) 0.788(2) 0.6774(19) 0.073(5) Uani 0.163(9) 1 d D U P B 2
F8' F 0.662(2) 0.9056(13) 0.744(3) 0.069(5) Uani 0.163(9) 1 d D U P B 2
F9' F 0.702(2) 0.800(2) 0.8095(16) 0.066(5) Uani 0.163(9) 1 d D U P B 2
C31 C 0.3586(5) 0.4285(4) 0.5848(4) 0.0401(12) Uani 1 1 d . . . . .
F10 F 0.3077(4) 0.4108(3) 0.6567(3) 0.0903(13) Uani 1 1 d . . . . .
F11 F 0.4591(3) 0.3931(2) 0.5916(3) 0.0713(10) Uani 1 1 d . . . . .
F12 F 0.2790(3) 0.3607(2) 0.4959(3) 0.0727(10) Uani 1 1 d . . . . .
C32 C 0.3377(4) 0.7068(3) 1.0168(3) 0.0275(10) Uani 1 1 d . . . . .
C33 C 0.3076(4) 0.7354(4) 1.1099(4) 0.0375(12) Uani 1 1 d . . . . .
C34 C 0.3813(5) 0.7149(4) 1.1871(4) 0.0534(15) Uani 1 1 d . . . . .
H34 H 0.365633 0.732469 1.252846 0.064 Uiso 1 1 calc R U . . .
C35 C 0.4762(5) 0.6694(4) 1.1685(5) 0.0575(16) Uani 1 1 d . . . . .
H35 H 0.525075 0.655979 1.221814 0.069 Uiso 1 1 calc R U . . .
C36 C 0.5016(5) 0.6434(4) 1.0761(5) 0.0537(15) Uani 1 1 d . . . . .
H36 H 0.567804 0.612076 1.065967 0.064 Uiso 1 1 calc R U . . .
C37 C 0.4340(4) 0.6610(4) 0.9967(4) 0.0360(12) Uani 1 1 d . . . . .
C38 C 0.2043(5) 0.7872(5) 1.1271(5) 0.0660(17) Uani 1 1 d . . . . .
H38A H 0.230717 0.861097 1.129095 0.099 Uiso 1 1 calc R U . . .
H38B H 0.187177 0.788768 1.192398 0.099 Uiso 1 1 calc R U . . .
H38C H 0.127861 0.745473 1.070983 0.099 Uiso 1 1 calc R U . . .
C39 C 0.4628(5) 0.6333(4) 0.8941(4) 0.0596(16) Uani 1 1 d . . . . .
H39A H 0.489998 0.699313 0.880724 0.089 Uiso 1 1 calc R U . . .
H39B H 0.387076 0.583911 0.840364 0.089 Uiso 1 1 calc R U . . .
H39C H 0.529971 0.598506 0.894494 0.089 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 C1 2.014(5) . ?
Au1 C2 2.275(4) . ?
Au1 C3 2.276(4) . ?
Au1 P1 2.3293(11) . ?
P1 C5 1.821(4) . ?
P1 C13 1.849(5) . ?
P1 C10 1.856(5) . ?
N1 C1 1.152(5) . ?
N1 C32 1.399(5) . ?
B1 C24 1.640(6) . ?
B1 C2 1.640(6) . ?
B1 C16 1.657(6) . ?
B1 C4 1.665(6) . ?
C2 C3 1.383(6) . ?
C2 H2 1.0000 . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.409(6) . ?
C4 C9 1.416(6) . ?
C5 C6 1.410(6) . ?
C6 C7 1.371(6) . ?
C6 H6 0.9500 . ?
C7 C8 1.372(7) . ?
C7 H7 0.9500 . ?
C8 C9 1.379(6) . ?
C8 H8 0.9500 . ?
C9 H9 0.9500 . ?
C10 C11 1.517(7) . ?
C10 C12 1.522(7) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.523(7) . ?
C13 C15 1.533(7) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.393(6) . ?
C16 C21 1.412(5) . ?
C17 C18 1.393(6) . ?
C17 H17 0.9500 . ?
C18 C19 1.384(6) . ?
C18 C22 1.487(6) . ?
C19 C20 1.389(6) . ?
C19 H19 0.9500 . ?
C20 C21 1.375(6) . ?
C20 C23 1.498(6) . ?
C21 H21 0.9500 . ?
C22 F2' 1.290(15) . ?
C22 F2 1.294(10) . ?
C22 F1' 1.303(15) . ?
C22 F1 1.316(8) . ?
C22 F3 1.381(10) . ?
C22 F3' 1.396(17) . ?
C23 F4 1.336(5) . ?
C23 F5 1.338(5) . ?
C23 F6 1.342(5) . ?
C24 C25 1.398(6) . ?
C24 C29 1.400(6) . ?
C25 C26 1.397(6) . ?
C25 H25 0.9500 . ?
C26 C27 1.383(6) . ?
C26 C30 1.496(6) . ?
C27 C28 1.382(6) . ?
C27 H27 0.9500 . ?
C28 C29 1.391(6) . ?
C28 C31 1.490(6) . ?
C29 H29 0.9500 . ?
C30 F7' 1.289(15) . ?
C30 F7 1.296(6) . ?
C30 F8 1.306(6) . ?
C30 F9' 1.330(15) . ?
C30 F9 1.333(6) . ?
C30 F8' 1.350(15) . ?
C31 F10 1.324(5) . ?
C31 F12 1.326(6) . ?
C31 F11 1.328(5) . ?
C32 C33 1.386(6) . ?
C32 C37 1.396(6) . ?
C33 C34 1.401(7) . ?
C33 C38 1.508(7) . ?
C34 C35 1.376(8) . ?
C34 H34 0.9500 . ?
C35 C36 1.352(8) . ?
C35 H35 0.9500 . ?
C36 C37 1.370(7) . ?
C36 H36 0.9500 . ?
C37 C39 1.503(7) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 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
C1 Au1 C2 142.76(17) . . ?
C1 Au1 C3 109.46(18) . . ?
C2 Au1 C3 35.39(15) . . ?
C1 Au1 P1 126.62(13) . . ?
C2 Au1 P1 89.47(11) . . ?
C3 Au1 P1 123.91(12) . . ?
C5 P1 C13 104.0(2) . . ?
C5 P1 C10 106.5(2) . . ?
C13 P1 C10 105.9(2) . . ?
C5 P1 Au1 113.65(14) . . ?
C13 P1 Au1 112.89(16) . . ?
C10 P1 Au1 113.20(16) . . ?
C1 N1 C32 174.8(5) . . ?
C24 B1 C2 111.7(3) . . ?
C24 B1 C16 111.5(3) . . ?
C2 B1 C16 103.7(3) . . ?
C24 B1 C4 110.1(3) . . ?
C2 B1 C4 112.9(3) . . ?
C16 B1 C4 106.8(3) . . ?
N1 C1 Au1 171.1(4) . . ?
C3 C2 B1 129.0(4) . . ?
C3 C2 Au1 72.4(2) . . ?
B1 C2 Au1 105.7(2) . . ?
C3 C2 H2 113.4 . . ?
B1 C2 H2 113.4 . . ?
Au1 C2 H2 113.4 . . ?
C2 C3 Au1 72.2(2) . . ?
C2 C3 H3A 116.3 . . ?
Au1 C3 H3A 116.3 . . ?
C2 C3 H3B 116.3 . . ?
Au1 C3 H3B 116.3 . . ?
H3A C3 H3B 113.3 . . ?
C5 C4 C9 114.1(4) . . ?
C5 C4 B1 129.5(4) . . ?
C9 C4 B1 116.4(4) . . ?
C4 C5 C6 120.7(4) . . ?
C4 C5 P1 123.8(3) . . ?
C6 C5 P1 115.4(3) . . ?
C7 C6 C5 122.2(5) . . ?
C7 C6 H6 118.9 . . ?
C5 C6 H6 118.9 . . ?
C6 C7 C8 118.6(4) . . ?
C6 C7 H7 120.7 . . ?
C8 C7 H7 120.7 . . ?
C7 C8 C9 119.6(5) . . ?
C7 C8 H8 120.2 . . ?
C9 C8 H8 120.2 . . ?
C8 C9 C4 124.6(4) . . ?
C8 C9 H9 117.7 . . ?
C4 C9 H9 117.7 . . ?
C11 C10 C12 110.0(5) . . ?
C11 C10 P1 112.2(4) . . ?
C12 C10 P1 111.0(4) . . ?
C11 C10 H10 107.8 . . ?
C12 C10 H10 107.8 . . ?
P1 C10 H10 107.8 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C15 110.5(4) . . ?
C14 C13 P1 109.3(3) . . ?
C15 C13 P1 112.0(3) . . ?
C14 C13 H13 108.3 . . ?
C15 C13 H13 108.3 . . ?
P1 C13 H13 108.3 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C21 115.3(4) . . ?
C17 C16 B1 125.8(4) . . ?
C21 C16 B1 118.9(4) . . ?
C18 C17 C16 122.6(4) . . ?
C18 C17 H17 118.7 . . ?
C16 C17 H17 118.7 . . ?
C19 C18 C17 120.5(4) . . ?
C19 C18 C22 119.2(4) . . ?
C17 C18 C22 120.3(4) . . ?
C18 C19 C20 118.3(4) . . ?
C18 C19 H19 120.8 . . ?
C20 C19 H19 120.8 . . ?
C21 C20 C19 120.7(4) . . ?
C21 C20 C23 121.7(4) . . ?
C19 C20 C23 117.5(4) . . ?
C20 C21 C16 122.6(4) . . ?
C20 C21 H21 118.7 . . ?
C16 C21 H21 118.7 . . ?
F2' C22 F1' 109.7(15) . . ?
F2 C22 F1 109.7(9) . . ?
F2 C22 F3 105.6(7) . . ?
F1 C22 F3 102.6(7) . . ?
F2' C22 F3' 101.1(12) . . ?
F1' C22 F3' 102.0(18) . . ?
F2' C22 C18 115.6(9) . . ?
F2 C22 C18 115.3(7) . . ?
F1' C22 C18 118.1(16) . . ?
F1 C22 C18 112.5(7) . . ?
F3 C22 C18 110.0(5) . . ?
F3' C22 C18 107.8(11) . . ?
F4 C23 F5 106.3(4) . . ?
F4 C23 F6 107.1(4) . . ?
F5 C23 F6 105.7(3) . . ?
F4 C23 C20 112.1(4) . . ?
F5 C23 C20 112.1(4) . . ?
F6 C23 C20 113.1(4) . . ?
C25 C24 C29 115.6(4) . . ?
C25 C24 B1 122.8(4) . . ?
C29 C24 B1 121.6(4) . . ?
C26 C25 C24 122.2(4) . . ?
C26 C25 H25 118.9 . . ?
C24 C25 H25 118.9 . . ?
C27 C26 C25 120.7(4) . . ?
C27 C26 C30 120.0(4) . . ?
C25 C26 C30 119.3(4) . . ?
C28 C27 C26 118.2(4) . . ?
C28 C27 H27 120.9 . . ?
C26 C27 H27 120.9 . . ?
C27 C28 C29 120.8(4) . . ?
C27 C28 C31 119.2(4) . . ?
C29 C28 C31 119.8(4) . . ?
C28 C29 C24 122.4(4) . . ?
C28 C29 H29 118.8 . . ?
C24 C29 H29 118.8 . . ?
F7 C30 F8 108.7(5) . . ?
F7' C30 F9' 99.1(15) . . ?
F7 C30 F9 105.3(5) . . ?
F8 C30 F9 104.9(5) . . ?
F7' C30 F8' 104.5(16) . . ?
F9' C30 F8' 99.6(15) . . ?
F7' C30 C26 117.0(11) . . ?
F7 C30 C26 113.0(4) . . ?
F8 C30 C26 112.2(4) . . ?
F9' C30 C26 116.3(11) . . ?
F9 C30 C26 112.2(4) . . ?
F8' C30 C26 117.4(9) . . ?
F10 C31 F12 106.0(4) . . ?
F10 C31 F11 105.4(4) . . ?
F12 C31 F11 105.0(4) . . ?
F10 C31 C28 112.6(4) . . ?
F12 C31 C28 112.8(4) . . ?
F11 C31 C28 114.3(4) . . ?
C33 C32 C37 124.9(4) . . ?
C33 C32 N1 118.3(4) . . ?
C37 C32 N1 116.7(4) . . ?
C32 C33 C34 115.4(5) . . ?
C32 C33 C38 122.1(4) . . ?
C34 C33 C38 122.5(5) . . ?
C35 C34 C33 120.5(5) . . ?
C35 C34 H34 119.7 . . ?
C33 C34 H34 119.7 . . ?
C36 C35 C34 121.5(5) . . ?
C36 C35 H35 119.2 . . ?
C34 C35 H35 119.2 . . ?
C35 C36 C37 121.6(5) . . ?
C35 C36 H36 119.2 . . ?
C37 C36 H36 119.2 . . ?
C36 C37 C32 116.1(5) . . ?
C36 C37 C39 121.7(5) . . ?
C32 C37 C39 122.2(4) . . ?
C33 C38 H38A 109.5 . . ?
C33 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C33 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?

_refine_diff_density_max         0.731
_refine_diff_density_min         -0.639
_refine_diff_density_rms         0.113

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

data_5
_database_code_depnum_ccdc_archive 'CCDC 2035742'
loop_
_audit_author_name
_audit_author_address
'Nathalie Saffon'
;Institut de Chimie de Toulouse
France
;
_audit_update_record             
;
2020-10-06 deposited with the CCDC.	2020-12-02 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         ?
_chemical_formula_sum            'C75 H96 Au B Cl6 F12 O3 P2'
_chemical_formula_weight         1755.93

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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_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'
'-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                   24.8443(18)
_cell_length_b                   22.0162(17)
_cell_length_c                   30.643(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     16761(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9942
_cell_measurement_theta_min      2.95
_cell_measurement_theta_max      26.35

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.392
_exptl_crystal_F_000             7152
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    2.054
_shelx_estimated_absorpt_T_min   0.748
_shelx_estimated_absorpt_T_max   0.904
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6901
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Incoatec microfocus sealed tube'
_diffrn_measurement_device_type  'Bruker kappa APEX-II CCD Quazar'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            326738
_diffrn_reflns_av_unetI/netI     0.0357
_diffrn_reflns_av_R_equivalents  0.1001
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_theta_min         2.720
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             17087
_reflns_number_gt                11949
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT (Sheldrick 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0313P)²+41.7351P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         17087
_refine_ls_number_parameters     1162
_refine_ls_number_restraints     737
_refine_ls_R_factor_all          0.0695
_refine_ls_R_factor_gt           0.0362
_refine_ls_wR_factor_ref         0.0959
_refine_ls_wR_factor_gt          0.0797
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_restrained_S_all      1.102
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.56007(2) 0.34701(2) 0.66878(2) 0.02616(5) Uani 1 1 d . . . . .
P1 P 0.48863(4) 0.34185(5) 0.71870(3) 0.0261(2) Uani 1 1 d . . . . .
P2 P 0.56575(4) 0.32762(4) 0.59550(3) 0.0239(2) Uani 1 1 d . . . . .
O1 O 0.62679(10) 0.32154(13) 0.57980(9) 0.0289(6) Uani 1 1 d . . . . .
O2 O 0.53439(11) 0.27371(12) 0.57192(9) 0.0299(6) Uani 1 1 d . . . . .
O3 O 0.53830(10) 0.37943(12) 0.56624(9) 0.0270(6) Uani 1 1 d . . . . .
B1 B 0.61560(19) 0.3611(2) 0.76754(16) 0.0300(10) Uani 1 1 d . . . . .
C1 C 0.64370(17) 0.3881(2) 0.68481(15) 0.0408(11) Uani 1 1 d . . . . .
H1A H 0.671438 0.358354 0.684876 0.049 Uiso 1 1 calc R U . . .
H1B H 0.637582 0.412021 0.659515 0.049 Uiso 1 1 calc R U . . .
C2 C 0.61254(16) 0.39631(18) 0.72118(14) 0.0306(9) Uani 1 1 d . . . . .
H2 H 0.585552 0.426717 0.718927 0.037 Uiso 1 1 calc R U . . .
C3 C 0.50559(16) 0.34048(17) 0.77680(12) 0.0277(9) Uani 1 1 d . . . . .
C4 C 0.55825(16) 0.34852(17) 0.79312(12) 0.0268(8) Uani 1 1 d . . . . .
C5 C 0.56323(19) 0.34255(19) 0.83888(13) 0.0358(10) Uani 1 1 d . . . . .
H5 H 0.597954 0.347176 0.851425 0.043 Uiso 1 1 calc R U . . .
C6 C 0.5207(2) 0.33040(19) 0.86633(14) 0.0398(11) Uani 1 1 d . . . . .
H6 H 0.526530 0.326809 0.896861 0.048 Uiso 1 1 calc R U . . .
C7 C 0.4696(2) 0.3235(2) 0.84954(14) 0.0380(10) Uani 1 1 d . . . . .
H7 H 0.439926 0.315541 0.868230 0.046 Uiso 1 1 calc R U . . .
C8 C 0.46245(18) 0.32826(19) 0.80507(14) 0.0350(10) Uani 1 1 d . . . . .
H8 H 0.427394 0.323158 0.793235 0.042 Uiso 1 1 calc R U . . .
C9 C 0.44671(17) 0.2736(2) 0.71082(14) 0.0350(10) Uani 1 1 d . . . . .
H9 H 0.416876 0.274547 0.732719 0.042 Uiso 1 1 calc R U . . .
C10 C 0.4218(2) 0.2715(2) 0.66527(15) 0.0478(12) Uani 1 1 d . . . . .
H10A H 0.450418 0.269960 0.643317 0.072 Uiso 1 1 calc R U . . .
H10B H 0.399797 0.307890 0.660646 0.072 Uiso 1 1 calc R U . . .
H10C H 0.399069 0.235258 0.662620 0.072 Uiso 1 1 calc R U . . .
C11 C 0.4807(2) 0.2173(2) 0.71940(16) 0.0482(13) Uani 1 1 d . . . . .
H11A H 0.458128 0.180945 0.716775 0.072 Uiso 1 1 calc R U . . .
H11B H 0.495803 0.219382 0.748896 0.072 Uiso 1 1 calc R U . . .
H11C H 0.509988 0.215279 0.698039 0.072 Uiso 1 1 calc R U . . .
C12 C 0.44503(17) 0.4087(2) 0.70927(14) 0.0362(10) Uani 1 1 d . . . . .
H12 H 0.431941 0.405247 0.678511 0.043 Uiso 1 1 calc R U . . .
C13 C 0.4777(2) 0.4672(2) 0.71138(19) 0.0530(13) Uani 1 1 d . . . . .
H13A H 0.454425 0.501810 0.704649 0.080 Uiso 1 1 calc R U . . .
H13B H 0.507133 0.465269 0.690089 0.080 Uiso 1 1 calc R U . . .
H13C H 0.492728 0.471993 0.740762 0.080 Uiso 1 1 calc R U . . .
C14 C 0.39445(19) 0.4134(3) 0.73790(18) 0.0541(14) Uani 1 1 d . . . . .
H14A H 0.405008 0.421923 0.768106 0.081 Uiso 1 1 calc R U . . .
H14B H 0.374547 0.375047 0.736749 0.081 Uiso 1 1 calc R U . . .
H14C H 0.371518 0.446405 0.727108 0.081 Uiso 1 1 calc R U . . .
C15 C 0.64900(17) 0.41176(19) 0.79748(14) 0.0343(10) Uani 1 1 d . . . . .
C16 C 0.6284(2) 0.4704(2) 0.80113(16) 0.0457(12) Uani 1 1 d . . . . .
H16 H 0.594959 0.479485 0.787586 0.055 Uiso 1 1 calc R U . . .
C17 C 0.6549(2) 0.5162(2) 0.8238(2) 0.0616(16) Uani 1 1 d D . . . .
C21 C 0.6338(6) 0.5793(5) 0.8240(5) 0.106(3) Uani 0.595(15) 1 d D U P A 1
F1 F 0.6014(5) 0.5912(4) 0.7902(5) 0.116(3) Uani 0.595(15) 1 d D U P A 1
F2 F 0.6727(4) 0.6212(4) 0.8196(4) 0.122(3) Uani 0.595(15) 1 d D U P A 1
F3 F 0.6099(6) 0.5919(6) 0.8619(5) 0.140(3) Uani 0.595(15) 1 d D U P A 1
C21' C 0.6299(7) 0.5770(6) 0.8283(7) 0.105(3) Uani 0.405(15) 1 d D U P A 2
F1' F 0.5777(5) 0.5809(5) 0.8188(7) 0.104(4) Uani 0.405(15) 1 d D U P A 2
F2' F 0.6566(8) 0.6169(8) 0.8037(6) 0.136(4) Uani 0.405(15) 1 d D U P A 2
F3' F 0.6352(8) 0.6020(8) 0.8675(5) 0.128(4) Uani 0.405(15) 1 d D U P A 2
C18 C 0.7032(2) 0.5040(2) 0.84461(19) 0.0602(16) Uani 1 1 d . . . . .
H18 H 0.721556 0.535051 0.860209 0.072 Uiso 1 1 calc R U . . .
C19 C 0.72418(19) 0.4466(2) 0.84231(16) 0.0456(12) Uani 1 1 d D . . . .
C22 C 0.7764(3) 0.4331(4) 0.8642(4) 0.0662(18) Uani 0.799(6) 1 d D U P B 1
F4 F 0.8138(2) 0.4771(3) 0.8563(2) 0.0991(19) Uani 0.799(6) 1 d D U P B 1
F5 F 0.7727(2) 0.4297(4) 0.90607(17) 0.111(2) Uani 0.799(6) 1 d D U P B 1
F6 F 0.80086(18) 0.3833(2) 0.85022(19) 0.0839(18) Uani 0.799(6) 1 d D U P B 1
C22' C 0.7741(9) 0.4319(10) 0.8662(10) 0.077(3) Uani 0.201(6) 1 d D U P B 2
F4' F 0.7864(8) 0.4752(10) 0.8958(7) 0.083(4) Uani 0.201(6) 1 d D U P B 2
F5' F 0.8144(7) 0.4353(13) 0.8407(7) 0.094(4) Uani 0.201(6) 1 d D U P B 2
F6' F 0.7728(8) 0.3814(9) 0.8890(8) 0.091(4) Uani 0.201(6) 1 d D U P B 2
C20 C 0.69723(18) 0.4009(2) 0.81922(14) 0.0359(10) Uani 1 1 d . . . . .
H20 H 0.712327 0.361244 0.818357 0.043 Uiso 1 1 calc R U . . .
C23 C 0.64915(17) 0.29760(18) 0.76142(13) 0.0304(9) Uani 1 1 d . . . . .
C24 C 0.70328(16) 0.29672(19) 0.74918(14) 0.0341(10) Uani 1 1 d . . . . .
H24 H 0.721311 0.334309 0.744941 0.041 Uiso 1 1 calc R U . . .
C25 C 0.73187(17) 0.2432(2) 0.74293(15) 0.0375(10) Uani 1 1 d . . . . .
C26 C 0.70714(19) 0.1876(2) 0.74822(16) 0.0415(11) Uani 1 1 d . . . . .
H26 H 0.726642 0.150975 0.744089 0.050 Uiso 1 1 calc R U . . .
C27 C 0.65330(19) 0.18645(19) 0.75968(15) 0.0383(10) Uani 1 1 d . . . . .
C28 C 0.62504(17) 0.24036(18) 0.76670(14) 0.0326(9) Uani 1 1 d . . . . .
H28 H 0.588357 0.238272 0.775323 0.039 Uiso 1 1 calc R U . . .
C29 C 0.7903(2) 0.2461(2) 0.73221(19) 0.0555(13) Uani 1 1 d D U . . .
F7 F 0.8023(7) 0.2884(7) 0.7038(4) 0.082(3) Uani 0.584(19) 1 d D U P C 1
F8 F 0.8181(4) 0.2617(7) 0.7692(3) 0.084(3) Uani 0.584(19) 1 d D U P C 1
F9 F 0.8112(4) 0.1951(4) 0.7205(6) 0.092(3) Uani 0.584(19) 1 d D U P C 1
F7' F 0.8223(5) 0.2275(11) 0.7620(5) 0.094(4) Uani 0.416(19) 1 d D U P C 2
F8' F 0.8031(6) 0.2087(8) 0.6972(5) 0.079(4) Uani 0.416(19) 1 d D U P C 2
F9' F 0.8084(10) 0.2989(7) 0.7182(7) 0.079(4) Uani 0.416(19) 1 d D U P C 2
C30 C 0.6259(2) 0.1267(2) 0.7654(2) 0.0527(14) Uani 1 1 d D . . . .
F10 F 0.6304(6) 0.1036(5) 0.8033(3) 0.110(4) Uani 0.588(9) 1 d D U P D 1
F11 F 0.6423(4) 0.0857(3) 0.7363(4) 0.094(3) Uani 0.588(9) 1 d D U P D 1
F12 F 0.5730(3) 0.1277(3) 0.7579(5) 0.086(3) Uani 0.588(9) 1 d D U P D 1
F10' F 0.6605(4) 0.0827(4) 0.7742(6) 0.087(4) Uani 0.412(9) 1 d D U P D 2
F11' F 0.5934(8) 0.1139(7) 0.7351(5) 0.108(5) Uani 0.412(9) 1 d D U P D 2
F12' F 0.5961(6) 0.1265(5) 0.8013(5) 0.090(4) Uani 0.412(9) 1 d D U P D 2
C31 C 0.64884(16) 0.31302(18) 0.53750(13) 0.0287(9) Uani 1 1 d . . . . .
C32 C 0.70287(17) 0.2957(2) 0.53482(14) 0.0343(10) Uani 1 1 d . . . . .
C33 C 0.72295(17) 0.2895(2) 0.49227(15) 0.0395(11) Uani 1 1 d . . . . .
H33 H 0.759519 0.277734 0.489038 0.047 Uiso 1 1 calc R U . . .
C34 C 0.69331(18) 0.2994(2) 0.45454(14) 0.0366(10) Uani 1 1 d . . . . .
C35 C 0.63992(18) 0.3165(2) 0.45995(14) 0.0375(10) Uani 1 1 d . . . . .
H35 H 0.618205 0.323488 0.434930 0.045 Uiso 1 1 calc R U . . .
C36 C 0.61784(17) 0.3237(2) 0.50083(14) 0.0349(10) Uani 1 1 d . . . . .
H36 H 0.581347 0.335856 0.503838 0.042 Uiso 1 1 calc R U . . .
C37 C 0.73954(18) 0.2857(3) 0.57484(16) 0.0480(13) Uani 1 1 d . . . . .
C38 C 0.7472(2) 0.3460(3) 0.59878(18) 0.0622(15) Uani 1 1 d . . . . .
H38A H 0.768901 0.339457 0.625032 0.093 Uiso 1 1 calc R U . . .
H38B H 0.711923 0.362393 0.607092 0.093 Uiso 1 1 calc R U . . .
H38C H 0.765502 0.374962 0.579544 0.093 Uiso 1 1 calc R U . . .
C39 C 0.7154(2) 0.2382(3) 0.60601(18) 0.0650(16) Uani 1 1 d . . . . .
H39A H 0.742140 0.227390 0.628212 0.097 Uiso 1 1 calc R U . . .
H39B H 0.705328 0.201901 0.589465 0.097 Uiso 1 1 calc R U . . .
H39C H 0.683448 0.255201 0.620227 0.097 Uiso 1 1 calc R U . . .
C40 C 0.7958(2) 0.2632(3) 0.5615(2) 0.080(2) Uani 1 1 d . . . . .
H40A H 0.812806 0.293339 0.542434 0.120 Uiso 1 1 calc R U . . .
H40B H 0.792440 0.224547 0.545885 0.120 Uiso 1 1 calc R U . . .
H40C H 0.817854 0.257428 0.587656 0.120 Uiso 1 1 calc R U . . .
C41 C 0.7172(2) 0.2931(2) 0.40867(15) 0.0466(12) Uani 1 1 d . . . . .
C42 C 0.7745(2) 0.2712(4) 0.4091(2) 0.098(3) Uani 1 1 d . . . . .
H42A H 0.776361 0.231591 0.423659 0.147 Uiso 1 1 calc R U . . .
H42B H 0.797004 0.300424 0.424914 0.147 Uiso 1 1 calc R U . . .
H42C H 0.787593 0.267256 0.379073 0.147 Uiso 1 1 calc R U . . .
C43 C 0.6834(3) 0.2504(3) 0.38142(18) 0.0742(18) Uani 1 1 d . . . . .
H43A H 0.697514 0.249326 0.351558 0.111 Uiso 1 1 calc R U . . .
H43B H 0.646080 0.264684 0.380998 0.111 Uiso 1 1 calc R U . . .
H43C H 0.684845 0.209543 0.394043 0.111 Uiso 1 1 calc R U . . .
C44 C 0.7152(3) 0.3560(3) 0.3869(2) 0.087(2) Uani 1 1 d . . . . .
H44A H 0.737098 0.384605 0.403789 0.130 Uiso 1 1 calc R U . . .
H44B H 0.677878 0.370312 0.385993 0.130 Uiso 1 1 calc R U . . .
H44C H 0.729362 0.353058 0.357159 0.130 Uiso 1 1 calc R U . . .
C45 C 0.53783(17) 0.21147(18) 0.58245(13) 0.0292(9) Uani 1 1 d . . . . .
C46 C 0.57381(18) 0.19186(19) 0.61380(15) 0.0371(10) Uani 1 1 d . . . . .
H46 H 0.595524 0.220654 0.628741 0.045 Uiso 1 1 calc R U . . .
C47 C 0.5786(2) 0.1310(2) 0.62365(16) 0.0461(12) Uani 1 1 d . . . . .
H47 H 0.603469 0.118038 0.645283 0.055 Uiso 1 1 calc R U . . .
C48 C 0.5471(2) 0.0886(2) 0.60200(18) 0.0528(14) Uani 1 1 d . . . . .
C51 C 0.5514(3) 0.0204(2) 0.6123(2) 0.0841(19) Uani 1 1 d D U . . .
C52 C 0.6068(7) 0.0060(6) 0.6365(7) 0.109(4) Uani 0.487(9) 1 d D U P E 1
H52A H 0.605764 -0.035401 0.648186 0.163 Uiso 0.487(9) 1 calc R U P E 1
H52B H 0.612018 0.034904 0.660443 0.163 Uiso 0.487(9) 1 calc R U P E 1
H52C H 0.636563 0.009661 0.615694 0.163 Uiso 0.487(9) 1 calc R U P E 1
C53 C 0.5096(8) 0.0083(7) 0.6518(6) 0.103(4) Uani 0.487(9) 1 d D U P E 1
H53A H 0.476491 0.031473 0.646653 0.155 Uiso 0.487(9) 1 calc R U P E 1
H53B H 0.525820 0.021302 0.679433 0.155 Uiso 0.487(9) 1 calc R U P E 1
H53C H 0.501081 -0.035076 0.653271 0.155 Uiso 0.487(9) 1 calc R U P E 1
C54 C 0.5470(9) -0.0190(6) 0.5775(5) 0.099(4) Uani 0.487(9) 1 d D U P E 1
H54A H 0.516224 -0.007085 0.559364 0.149 Uiso 0.487(9) 1 calc R U P E 1
H54B H 0.541492 -0.060397 0.588358 0.149 Uiso 0.487(9) 1 calc R U P E 1
H54C H 0.579974 -0.017464 0.560029 0.149 Uiso 0.487(9) 1 calc R U P E 1
C52' C 0.6029(7) -0.0021(6) 0.5898(6) 0.115(4) Uani 0.513(9) 1 d D U P E 2
H52D H 0.634450 0.012118 0.606086 0.173 Uiso 0.513(9) 1 calc R U P E 2
H52E H 0.604294 0.013745 0.559953 0.173 Uiso 0.513(9) 1 calc R U P E 2
H52F H 0.602878 -0.046621 0.589022 0.173 Uiso 0.513(9) 1 calc R U P E 2
C53' C 0.5032(7) -0.0153(6) 0.5867(5) 0.096(4) Uani 0.513(9) 1 d D U P E 2
H53D H 0.505302 -0.058819 0.593120 0.144 Uiso 0.513(9) 1 calc R U P E 2
H53E H 0.507035 -0.008934 0.555161 0.144 Uiso 0.513(9) 1 calc R U P E 2
H53F H 0.468258 0.000482 0.596311 0.144 Uiso 0.513(9) 1 calc R U P E 2
C54' C 0.5510(9) 0.0079(7) 0.6564(5) 0.101(4) Uani 0.513(9) 1 d D U P E 2
H54D H 0.587580 0.011399 0.668066 0.152 Uiso 0.513(9) 1 calc R U P E 2
H54E H 0.537686 -0.033542 0.661098 0.152 Uiso 0.513(9) 1 calc R U P E 2
H54F H 0.527353 0.036762 0.671387 0.152 Uiso 0.513(9) 1 calc R U P E 2
C49 C 0.5112(2) 0.1105(2) 0.57126(18) 0.0539(14) Uani 1 1 d . . . . .
H49 H 0.489172 0.081645 0.556604 0.065 Uiso 1 1 calc R U . . .
C50 C 0.50465(19) 0.1714(2) 0.56006(15) 0.0383(10) Uani 1 1 d . . . . .
C55 C 0.4637(2) 0.1915(2) 0.52543(16) 0.0460(12) Uani 1 1 d . . . . .
C56 C 0.4340(3) 0.1372(3) 0.5052(3) 0.101(3) Uani 1 1 d . . . . .
H56A H 0.413246 0.116217 0.527870 0.151 Uiso 1 1 calc R U . . .
H56B H 0.460197 0.109016 0.492492 0.151 Uiso 1 1 calc R U . . .
H56C H 0.409524 0.151617 0.482357 0.151 Uiso 1 1 calc R U . . .
C57 C 0.4215(2) 0.2331(3) 0.54557(19) 0.0665(17) Uani 1 1 d . . . . .
H57A H 0.395658 0.245449 0.523099 0.100 Uiso 1 1 calc R U . . .
H57B H 0.439101 0.269154 0.557694 0.100 Uiso 1 1 calc R U . . .
H57C H 0.402549 0.211365 0.568887 0.100 Uiso 1 1 calc R U . . .
C58 C 0.4924(2) 0.2245(3) 0.48794(16) 0.0683(17) Uani 1 1 d . . . . .
H58A H 0.521635 0.198994 0.476835 0.102 Uiso 1 1 calc R U . . .
H58B H 0.507134 0.262999 0.498618 0.102 Uiso 1 1 calc R U . . .
H58C H 0.466591 0.232568 0.464428 0.102 Uiso 1 1 calc R U . . .
C59 C 0.53925(16) 0.44095(17) 0.57943(13) 0.0262(9) Uani 1 1 d . . . . .
C60 C 0.49237(16) 0.47517(18) 0.57685(12) 0.0269(9) Uani 1 1 d . . . . .
C61 C 0.49638(17) 0.53477(18) 0.59293(13) 0.0315(9) Uani 1 1 d . . . . .
H61 H 0.465048 0.559488 0.592351 0.038 Uiso 1 1 calc R U . . .
C62 C 0.54341(18) 0.55967(19) 0.60963(14) 0.0344(10) Uani 1 1 d . . . . .
C63 C 0.58923(18) 0.52434(19) 0.60861(14) 0.0368(10) Uani 1 1 d . . . . .
H63 H 0.622429 0.540785 0.618455 0.044 Uiso 1 1 calc R U . . .
C64 C 0.58738(16) 0.46535(19) 0.59343(14) 0.0325(9) Uani 1 1 d . . . . .
H64 H 0.619260 0.441553 0.592634 0.039 Uiso 1 1 calc R U . . .
C65 C 0.43974(16) 0.45089(18) 0.55661(13) 0.0300(9) Uani 1 1 d . . . . .
C66 C 0.41512(17) 0.4017(2) 0.58586(15) 0.0374(10) Uani 1 1 d . . . . .
H66A H 0.383226 0.384641 0.571608 0.056 Uiso 1 1 calc R U . . .
H66B H 0.404766 0.419671 0.613905 0.056 Uiso 1 1 calc R U . . .
H66C H 0.441621 0.369491 0.590779 0.056 Uiso 1 1 calc R U . . .
C67 C 0.44981(18) 0.4247(2) 0.51098(14) 0.0422(11) Uani 1 1 d . . . . .
H67A H 0.415565 0.411577 0.498220 0.063 Uiso 1 1 calc R U . . .
H67B H 0.474217 0.389875 0.513154 0.063 Uiso 1 1 calc R U . . .
H67C H 0.466082 0.455944 0.492402 0.063 Uiso 1 1 calc R U . . .
C68 C 0.39734(19) 0.5013(2) 0.55117(18) 0.0508(13) Uani 1 1 d . . . . .
H68A H 0.411833 0.533467 0.532486 0.076 Uiso 1 1 calc R U . . .
H68B H 0.388294 0.518135 0.579834 0.076 Uiso 1 1 calc R U . . .
H68C H 0.364891 0.484227 0.537716 0.076 Uiso 1 1 calc R U . . .
C69 C 0.5453(2) 0.6250(2) 0.62732(17) 0.0475(12) Uani 1 1 d . . . . .
C70 C 0.4925(3) 0.6589(3) 0.6205(3) 0.090(2) Uani 1 1 d . . . . .
H70A H 0.464314 0.640179 0.638344 0.136 Uiso 1 1 calc R U . . .
H70B H 0.482291 0.656851 0.589646 0.136 Uiso 1 1 calc R U . . .
H70C H 0.497015 0.701470 0.629108 0.136 Uiso 1 1 calc R U . . .
C71 C 0.5898(3) 0.6606(2) 0.6040(2) 0.076(2) Uani 1 1 d . . . . .
H71A H 0.581775 0.662594 0.572717 0.114 Uiso 1 1 calc R U . . .
H71B H 0.624388 0.640095 0.608389 0.114 Uiso 1 1 calc R U . . .
H71C H 0.591655 0.701806 0.615956 0.114 Uiso 1 1 calc R U . . .
C72 C 0.5581(3) 0.6217(3) 0.6760(2) 0.088(2) Uani 1 1 d . . . . .
H72A H 0.562513 0.662865 0.687569 0.132 Uiso 1 1 calc R U . . .
H72B H 0.591487 0.598738 0.680301 0.132 Uiso 1 1 calc R U . . .
H72C H 0.528548 0.601316 0.691258 0.132 Uiso 1 1 calc R U . . .
C73 C 0.3770(18) 0.9217(14) 0.5083(11) 0.202(5) Uani 0.338(6) 1 d D U P F 1
H73A H 0.405419 0.931567 0.486867 0.242 Uiso 0.338(6) 1 calc R U P F 1
H73B H 0.345965 0.948275 0.501508 0.242 Uiso 0.338(6) 1 calc R U P F 1
Cl1 Cl 0.3968(7) 0.9405(8) 0.5502(6) 0.259(6) Uani 0.338(6) 1 d D U P F 1
Cl2 Cl 0.3578(7) 0.8524(6) 0.4980(5) 0.188(4) Uani 0.338(6) 1 d D U P F 1
C73' C 0.3527(12) 0.8622(11) 0.5178(9) 0.196(5) Uani 0.662(6) 1 d D U P F 2
H73C H 0.342538 0.827981 0.537074 0.235 Uiso 0.662(6) 1 calc R U P F 2
H73D H 0.375208 0.844047 0.494576 0.235 Uiso 0.662(6) 1 calc R U P F 2
Cl1' Cl 0.3897(2) 0.8958(2) 0.54306(18) 0.157(2) Uani 0.662(6) 1 d D U P F 2
Cl2' Cl 0.2959(2) 0.8796(2) 0.4925(2) 0.192(3) Uani 0.662(6) 1 d D U P F 2
C74 C 0.2317(7) 0.0439(11) 0.5025(8) 0.155(4) Uani 0.812(4) 1 d D U P G 1
H74A H 0.219455 0.020758 0.528324 0.186 Uiso 0.812(4) 1 calc R U P G 1
H74B H 0.210241 0.081736 0.500793 0.186 Uiso 0.812(4) 1 calc R U P G 1
Cl3 Cl 0.30317(10) 0.06326(14) 0.50887(12) 0.1252(12) Uani 0.812(4) 1 d D U P G
1
Cl4 Cl 0.22150(16) 0.00256(18) 0.45743(14) 0.1533(15) Uani 0.812(4) 1 d D U P G
1
C74' C 0.263(2) -0.022(2) 0.466(2) 0.177(5) Uani 0.188(4) 1 d D U P G 3
H74C H 0.260054 -0.003298 0.436552 0.212 Uiso 0.188(4) 1 calc R U P G 3
H74D H 0.300008 -0.037708 0.469432 0.212 Uiso 0.188(4) 1 calc R U P G 3
Cl3' Cl 0.2485(9) 0.0347(14) 0.5080(12) 0.174(5) Uani 0.188(4) 1 d D U P G 3
Cl4' Cl 0.2189(10) -0.0793(11) 0.4701(9) 0.238(7) Uani 0.188(4) 1 d D U P G 3
Cl5 Cl 0.7667(4) 0.0583(3) 0.6707(4) 0.183(4) Uani 0.552(11) 1 d D U P H 1
C75 C 0.7621(10) 0.0043(10) 0.7193(6) 0.125(4) Uani 0.552(11) 1 d D U P H 1
H75A H 0.798303 -0.009887 0.728094 0.150 Uiso 0.552(11) 1 calc R U P H 1
H75B H 0.744896 0.024642 0.744568 0.150 Uiso 0.552(11) 1 calc R U P H 1
Cl6 Cl 0.7241(3) -0.0541(4) 0.7017(4) 0.144(3) Uani 0.552(11) 1 d D U P H 1
Cl5' Cl 0.7943(4) 0.0510(3) 0.7042(4) 0.143(3) Uani 0.448(11) 1 d D U P H 2
C75' C 0.7510(13) -0.0083(11) 0.7262(6) 0.110(4) Uani 0.448(11) 1 d D U P H 2
H75C H 0.772728 -0.039574 0.741433 0.132 Uiso 0.448(11) 1 calc R U P H 2
H75D H 0.724855 0.009013 0.747127 0.132 Uiso 0.448(11) 1 calc R U P H 2
Cl6' Cl 0.7188(5) -0.0389(7) 0.6828(5) 0.189(4) Uani 0.448(11) 1 d D U P H 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 P2 2.2901(10) . ?
Au1 C1 2.318(4) . ?
Au1 C2 2.336(4) . ?
Au1 P1 2.3460(10) . ?
P1 C3 1.830(4) . ?
P1 C9 1.845(4) . ?
P1 C12 1.850(4) . ?
P2 O2 1.593(3) . ?
P2 O1 1.597(3) . ?
P2 O3 1.603(3) . ?
O1 C31 1.419(5) . ?
O2 C45 1.410(5) . ?
O3 C59 1.414(5) . ?
B1 C2 1.620(6) . ?
B1 C23 1.639(6) . ?
B1 C4 1.650(6) . ?
B1 C15 1.666(6) . ?
C1 C2 1.369(6) . ?
C1 H1A 0.9500 . ?
C1 H1B 0.9500 . ?
C2 H2 0.9500 . ?
C3 C8 1.404(6) . ?
C3 C4 1.412(6) . ?
C4 C5 1.414(5) . ?
C5 C6 1.377(6) . ?
C5 H5 0.9500 . ?
C6 C7 1.377(7) . ?
C6 H6 0.9500 . ?
C7 C8 1.378(6) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 C11 1.522(6) . ?
C9 C10 1.528(6) . ?
C9 H9 1.0000 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.524(7) . ?
C12 C14 1.536(6) . ?
C12 H12 1.0000 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C20 1.392(6) . ?
C15 C16 1.394(6) . ?
C16 C17 1.390(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.384(7) . ?
C17 C21' 1.484(13) . ?
C17 C21 1.487(12) . ?
C21 F3 1.331(14) . ?
C21 F1 1.339(13) . ?
C21 F2 1.342(14) . ?
C21' F3' 1.328(17) . ?
C21' F1' 1.331(15) . ?
C21' F2' 1.335(17) . ?
C18 C19 1.370(7) . ?
C18 H18 0.9500 . ?
C19 C20 1.400(6) . ?
C19 C22' 1.476(17) . ?
C19 C22 1.491(8) . ?
C22 F5 1.290(13) . ?
C22 F6 1.323(10) . ?
C22 F4 1.363(10) . ?
C22' F5' 1.27(3) . ?
C22' F6' 1.312(19) . ?
C22' F4' 1.35(2) . ?
C20 H20 0.9500 . ?
C23 C24 1.396(6) . ?
C23 C28 1.405(6) . ?
C24 C25 1.389(6) . ?
C24 H24 0.9500 . ?
C25 C26 1.379(6) . ?
C25 C29 1.489(6) . ?
C26 C27 1.383(7) . ?
C26 H26 0.9500 . ?
C27 C28 1.396(6) . ?
C27 C30 1.491(6) . ?
C28 H28 0.9500 . ?
C29 F7' 1.277(12) . ?
C29 F9 1.289(9) . ?
C29 F7 1.312(12) . ?
C29 F9' 1.319(15) . ?
C29 F8 1.371(9) . ?
C29 F8' 1.391(11) . ?
C30 F11' 1.262(12) . ?
C30 F10 1.273(9) . ?
C30 F10' 1.323(9) . ?
C30 F12' 1.324(10) . ?
C30 F11 1.333(8) . ?
C30 F12 1.333(9) . ?
C31 C36 1.382(6) . ?
C31 C32 1.398(6) . ?
C32 C33 1.403(6) . ?
C32 C37 1.543(6) . ?
C33 C34 1.388(6) . ?
C33 H33 0.9500 . ?
C34 C35 1.389(6) . ?
C34 C41 1.532(6) . ?
C35 C36 1.376(6) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C38 1.529(7) . ?
C37 C40 1.537(7) . ?
C37 C39 1.537(7) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C42 1.505(7) . ?
C41 C43 1.511(7) . ?
C41 C44 1.537(8) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C46 1.381(6) . ?
C45 C50 1.388(6) . ?
C46 C47 1.380(6) . ?
C46 H46 0.9500 . ?
C47 C48 1.387(7) . ?
C47 H47 0.9500 . ?
C48 C49 1.384(7) . ?
C48 C51 1.537(7) . ?
C51 C54' 1.378(14) . ?
C51 C54 1.381(13) . ?
C51 C52' 1.536(14) . ?
C51 C52 1.593(14) . ?
C51 C53 1.617(15) . ?
C51 C53' 1.636(14) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C52' H52D 0.9800 . ?
C52' H52E 0.9800 . ?
C52' H52F 0.9800 . ?
C53' H53D 0.9800 . ?
C53' H53E 0.9800 . ?
C53' H53F 0.9800 . ?
C54' H54D 0.9800 . ?
C54' H54E 0.9800 . ?
C54' H54F 0.9800 . ?
C49 C50 1.395(7) . ?
C49 H49 0.9500 . ?
C50 C55 1.535(7) . ?
C55 C57 1.522(7) . ?
C55 C58 1.534(7) . ?
C55 C56 1.537(7) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 C64 1.379(6) . ?
C59 C60 1.389(5) . ?
C60 C61 1.405(6) . ?
C60 C65 1.543(6) . ?
C61 C62 1.388(6) . ?
C61 H61 0.9500 . ?
C62 C63 1.379(6) . ?
C62 C69 1.538(6) . ?
C63 C64 1.380(6) . ?
C63 H63 0.9500 . ?
C64 H64 0.9500 . ?
C65 C66 1.533(5) . ?
C65 C67 1.533(6) . ?
C65 C68 1.538(6) . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 C70 1.524(8) . ?
C69 C72 1.526(8) . ?
C69 C71 1.531(7) . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 Cl1 1.43(3) . ?
C73 Cl2 1.63(3) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C73' Cl1' 1.41(2) . ?
C73' Cl2' 1.65(2) . ?
C73' H73C 0.9900 . ?
C73' H73D 0.9900 . ?
C74 Cl4 1.67(2) . ?
C74 Cl3 1.836(17) . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C74' Cl4' 1.67(3) . ?
C74' Cl3' 1.83(3) . ?
C74' H74C 0.9900 . ?
C74' H74D 0.9900 . ?
Cl5 C75 1.910(17) . ?
C75 Cl6 1.684(15) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
Cl5' C75' 1.822(17) . ?
C75' Cl6' 1.693(17) . ?
C75' H75C 0.9900 . ?
C75' H75D 0.9900 . ?

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
P2 Au1 C1 103.02(12) . . ?
P2 Au1 C2 136.57(11) . . ?
C1 Au1 C2 34.21(15) . . ?
P2 Au1 P1 132.61(4) . . ?
C1 Au1 P1 123.96(12) . . ?
C2 Au1 P1 89.80(11) . . ?
C3 P1 C9 104.12(19) . . ?
C3 P1 C12 107.46(19) . . ?
C9 P1 C12 107.3(2) . . ?
C3 P1 Au1 117.46(13) . . ?
C9 P1 Au1 112.41(14) . . ?
C12 P1 Au1 107.61(14) . . ?
O2 P2 O1 105.39(15) . . ?
O2 P2 O3 93.93(14) . . ?
O1 P2 O3 107.18(15) . . ?
O2 P2 Au1 123.60(11) . . ?
O1 P2 Au1 111.69(11) . . ?
O3 P2 Au1 112.93(11) . . ?
C31 O1 P2 130.7(2) . . ?
C45 O2 P2 126.2(3) . . ?
C59 O3 P2 121.0(2) . . ?
C2 B1 C23 109.4(4) . . ?
C2 B1 C4 117.2(3) . . ?
C23 B1 C4 110.5(3) . . ?
C2 B1 C15 100.7(3) . . ?
C23 B1 C15 112.4(3) . . ?
C4 B1 C15 106.3(3) . . ?
C2 C1 Au1 73.6(2) . . ?
C2 C1 H1A 120.0 . . ?
Au1 C1 H1A 112.5 . . ?
C2 C1 H1B 120.0 . . ?
Au1 C1 H1B 84.3 . . ?
H1A C1 H1B 120.0 . . ?
C1 C2 B1 128.6(4) . . ?
C1 C2 Au1 72.2(2) . . ?
B1 C2 Au1 114.0(2) . . ?
C1 C2 H2 115.7 . . ?
B1 C2 H2 115.7 . . ?
Au1 C2 H2 83.3 . . ?
C8 C3 C4 120.9(4) . . ?
C8 C3 P1 115.3(3) . . ?
C4 C3 P1 123.8(3) . . ?
C3 C4 C5 114.9(4) . . ?
C3 C4 B1 130.8(3) . . ?
C5 C4 B1 114.3(4) . . ?
C6 C5 C4 123.8(4) . . ?
C6 C5 H5 118.1 . . ?
C4 C5 H5 118.1 . . ?
C7 C6 C5 120.0(4) . . ?
C7 C6 H6 120.0 . . ?
C5 C6 H6 120.0 . . ?
C6 C7 C8 118.7(4) . . ?
C6 C7 H7 120.7 . . ?
C8 C7 H7 120.7 . . ?
C7 C8 C3 121.7(4) . . ?
C7 C8 H8 119.1 . . ?
C3 C8 H8 119.1 . . ?
C11 C9 C10 111.0(4) . . ?
C11 C9 P1 109.1(3) . . ?
C10 C9 P1 111.9(3) . . ?
C11 C9 H9 108.2 . . ?
C10 C9 H9 108.2 . . ?
P1 C9 H9 108.2 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 C14 110.8(4) . . ?
C13 C12 P1 110.7(3) . . ?
C14 C12 P1 116.4(3) . . ?
C13 C12 H12 106.1 . . ?
C14 C12 H12 106.1 . . ?
P1 C12 H12 106.1 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C20 C15 C16 115.9(4) . . ?
C20 C15 B1 125.3(4) . . ?
C16 C15 B1 118.8(4) . . ?
C17 C16 C15 122.5(4) . . ?
C17 C16 H16 118.7 . . ?
C15 C16 H16 118.7 . . ?
C18 C17 C16 120.1(5) . . ?
C18 C17 C21' 119.7(8) . . ?
C16 C17 C21' 120.1(8) . . ?
C18 C17 C21 119.0(7) . . ?
C16 C17 C21 120.8(7) . . ?
F3 C21 F1 111.4(13) . . ?
F3 C21 F2 105.5(12) . . ?
F1 C21 F2 102.7(11) . . ?
F3 C21 C17 110.8(11) . . ?
F1 C21 C17 113.1(10) . . ?
F2 C21 C17 112.9(11) . . ?
F3' C21' F1' 105.6(15) . . ?
F3' C21' F2' 101.0(15) . . ?
F1' C21' F2' 108.5(16) . . ?
F3' C21' C17 114.6(14) . . ?
F1' C21' C17 116.5(12) . . ?
F2' C21' C17 109.4(15) . . ?
C19 C18 C17 119.0(4) . . ?
C19 C18 H18 120.5 . . ?
C17 C18 H18 120.5 . . ?
C18 C19 C20 120.5(4) . . ?
C18 C19 C22' 119.8(10) . . ?
C20 C19 C22' 119.7(10) . . ?
C18 C19 C22 119.4(5) . . ?
C20 C19 C22 120.0(5) . . ?
F5 C22 F6 107.8(8) . . ?
F5 C22 F4 105.4(7) . . ?
F6 C22 F4 102.6(8) . . ?
F5 C22 C19 113.3(9) . . ?
F6 C22 C19 114.8(6) . . ?
F4 C22 C19 111.9(7) . . ?
F5' C22' F6' 113(2) . . ?
F5' C22' F4' 101.2(19) . . ?
F6' C22' F4' 104(2) . . ?
F5' C22' C19 110(2) . . ?
F6' C22' C19 115.3(16) . . ?
F4' C22' C19 111.5(16) . . ?
C15 C20 C19 122.0(4) . . ?
C15 C20 H20 119.0 . . ?
C19 C20 H20 119.0 . . ?
C24 C23 C28 115.4(4) . . ?
C24 C23 B1 122.2(4) . . ?
C28 C23 B1 122.4(4) . . ?
C25 C24 C23 122.8(4) . . ?
C25 C24 H24 118.6 . . ?
C23 C24 H24 118.6 . . ?
C26 C25 C24 120.6(4) . . ?
C26 C25 C29 119.9(4) . . ?
C24 C25 C29 119.5(4) . . ?
C25 C26 C27 118.5(4) . . ?
C25 C26 H26 120.7 . . ?
C27 C26 H26 120.7 . . ?
C26 C27 C28 120.6(4) . . ?
C26 C27 C30 119.2(4) . . ?
C28 C27 C30 120.1(4) . . ?
C27 C28 C23 122.0(4) . . ?
C27 C28 H28 119.0 . . ?
C23 C28 H28 119.0 . . ?
F9 C29 F7 110.0(9) . . ?
F7' C29 F9' 107.6(11) . . ?
F9 C29 F8 104.2(7) . . ?
F7 C29 F8 104.8(8) . . ?
F7' C29 F8' 102.6(9) . . ?
F9' C29 F8' 101.0(11) . . ?
F7' C29 C25 115.8(8) . . ?
F9 C29 C25 114.7(6) . . ?
F7 C29 C25 113.5(9) . . ?
F9' C29 C25 116.3(11) . . ?
F8 C29 C25 108.6(6) . . ?
F8' C29 C25 111.7(7) . . ?
F11' C30 F10' 113.6(10) . . ?
F11' C30 F12' 104.6(10) . . ?
F10' C30 F12' 101.1(9) . . ?
F10 C30 F11 108.2(7) . . ?
F10 C30 F12 104.5(8) . . ?
F11 C30 F12 101.4(7) . . ?
F11' C30 C27 113.7(8) . . ?
F10 C30 C27 114.8(6) . . ?
F10' C30 C27 111.9(6) . . ?
F12' C30 C27 110.9(6) . . ?
F11 C30 C27 112.3(5) . . ?
F12 C30 C27 114.5(5) . . ?
C36 C31 C32 122.2(4) . . ?
C36 C31 O1 120.3(3) . . ?
C32 C31 O1 117.4(4) . . ?
C31 C32 C33 115.0(4) . . ?
C31 C32 C37 124.0(4) . . ?
C33 C32 C37 121.0(4) . . ?
C34 C33 C32 124.8(4) . . ?
C34 C33 H33 117.6 . . ?
C32 C33 H33 117.6 . . ?
C33 C34 C35 116.7(4) . . ?
C33 C34 C41 123.0(4) . . ?
C35 C34 C41 120.2(4) . . ?
C36 C35 C34 121.3(4) . . ?
C36 C35 H35 119.3 . . ?
C34 C35 H35 119.3 . . ?
C35 C36 C31 119.9(4) . . ?
C35 C36 H36 120.1 . . ?
C31 C36 H36 120.1 . . ?
C38 C37 C40 107.2(5) . . ?
C38 C37 C39 109.9(4) . . ?
C40 C37 C39 107.5(5) . . ?
C38 C37 C32 109.3(4) . . ?
C40 C37 C32 111.8(4) . . ?
C39 C37 C32 111.1(4) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C42 C41 C43 109.3(5) . . ?
C42 C41 C34 112.8(4) . . ?
C43 C41 C34 110.4(4) . . ?
C42 C41 C44 108.9(5) . . ?
C43 C41 C44 107.6(5) . . ?
C34 C41 C44 107.7(4) . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C41 C44 H44A 109.5 . . ?
C41 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C41 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C46 C45 C50 122.0(4) . . ?
C46 C45 O2 120.1(4) . . ?
C50 C45 O2 117.9(4) . . ?
C47 C46 C45 120.8(4) . . ?
C47 C46 H46 119.6 . . ?
C45 C46 H46 119.6 . . ?
C46 C47 C48 120.0(5) . . ?
C46 C47 H47 120.0 . . ?
C48 C47 H47 120.0 . . ?
C49 C48 C47 117.1(4) . . ?
C49 C48 C51 121.7(5) . . ?
C47 C48 C51 121.2(5) . . ?
C54' C51 C52' 112.5(12) . . ?
C54' C51 C48 113.4(8) . . ?
C54 C51 C48 116.6(8) . . ?
C52' C51 C48 106.4(7) . . ?
C54 C51 C52 107.7(11) . . ?
C48 C51 C52 110.6(7) . . ?
C54 C51 C53 115.0(12) . . ?
C48 C51 C53 105.6(7) . . ?
C52 C51 C53 100.1(10) . . ?
C54' C51 C53' 111.6(11) . . ?
C52' C51 C53' 103.8(9) . . ?
C48 C51 C53' 108.5(7) . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C51 C53 H53A 109.5 . . ?
C51 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C51 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C51 C54 H54A 109.5 . . ?
C51 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C51 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C51 C52' H52D 109.5 . . ?
C51 C52' H52E 109.5 . . ?
H52D C52' H52E 109.5 . . ?
C51 C52' H52F 109.5 . . ?
H52D C52' H52F 109.5 . . ?
H52E C52' H52F 109.5 . . ?
C51 C53' H53D 109.5 . . ?
C51 C53' H53E 109.5 . . ?
H53D C53' H53E 109.5 . . ?
C51 C53' H53F 109.5 . . ?
H53D C53' H53F 109.5 . . ?
H53E C53' H53F 109.5 . . ?
C51 C54' H54D 109.5 . . ?
C51 C54' H54E 109.5 . . ?
H54D C54' H54E 109.5 . . ?
C51 C54' H54F 109.5 . . ?
H54D C54' H54F 109.5 . . ?
H54E C54' H54F 109.5 . . ?
C48 C49 C50 125.2(5) . . ?
C48 C49 H49 117.4 . . ?
C50 C49 H49 117.4 . . ?
C45 C50 C49 114.9(4) . . ?
C45 C50 C55 123.5(4) . . ?
C49 C50 C55 121.6(4) . . ?
C57 C55 C58 109.8(5) . . ?
C57 C55 C50 110.4(4) . . ?
C58 C55 C50 110.3(4) . . ?
C57 C55 C56 107.5(5) . . ?
C58 C55 C56 106.8(5) . . ?
C50 C55 C56 111.9(4) . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C55 C57 H57A 109.5 . . ?
C55 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C55 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C55 C58 H58A 109.5 . . ?
C55 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C55 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C64 C59 C60 122.2(4) . . ?
C64 C59 O3 118.5(3) . . ?
C60 C59 O3 119.3(3) . . ?
C59 C60 C61 115.3(4) . . ?
C59 C60 C65 123.1(4) . . ?
C61 C60 C65 121.6(4) . . ?
C62 C61 C60 123.9(4) . . ?
C62 C61 H61 118.1 . . ?
C60 C61 H61 118.1 . . ?
C63 C62 C61 117.6(4) . . ?
C63 C62 C69 120.7(4) . . ?
C61 C62 C69 121.7(4) . . ?
C62 C63 C64 120.7(4) . . ?
C62 C63 H63 119.6 . . ?
C64 C63 H63 119.6 . . ?
C59 C64 C63 120.0(4) . . ?
C59 C64 H64 120.0 . . ?
C63 C64 H64 120.0 . . ?
C66 C65 C67 109.5(4) . . ?
C66 C65 C68 107.4(4) . . ?
C67 C65 C68 106.5(4) . . ?
C66 C65 C60 110.4(3) . . ?
C67 C65 C60 111.0(3) . . ?
C68 C65 C60 112.0(4) . . ?
C65 C66 H66A 109.5 . . ?
C65 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C65 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C65 C67 H67A 109.5 . . ?
C65 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
C65 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C65 C68 H68A 109.5 . . ?
C65 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C65 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C70 C69 C72 109.7(5) . . ?
C70 C69 C71 107.9(5) . . ?
C72 C69 C71 109.3(5) . . ?
C70 C69 C62 112.5(4) . . ?
C72 C69 C62 107.8(4) . . ?
C71 C69 C62 109.6(4) . . ?
C69 C70 H70A 109.5 . . ?
C69 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
C69 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C69 C71 H71A 109.5 . . ?
C69 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C69 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C69 C72 H72A 109.5 . . ?
C69 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C69 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
Cl1 C73 Cl2 123(2) . . ?
Cl1 C73 H73A 106.6 . . ?
Cl2 C73 H73A 106.6 . . ?
Cl1 C73 H73B 106.6 . . ?
Cl2 C73 H73B 106.6 . . ?
H73A C73 H73B 106.5 . . ?
Cl1' C73' Cl2' 133.7(17) . . ?
Cl1' C73' H73C 103.8 . . ?
Cl2' C73' H73C 103.8 . . ?
Cl1' C73' H73D 103.8 . . ?
Cl2' C73' H73D 103.8 . . ?
H73C C73' H73D 105.4 . . ?
Cl4 C74 Cl3 111.1(12) . . ?
Cl4 C74 H74A 109.4 . . ?
Cl3 C74 H74A 109.4 . . ?
Cl4 C74 H74B 109.4 . . ?
Cl3 C74 H74B 109.4 . . ?
H74A C74 H74B 108.0 . . ?
Cl4' C74' Cl3' 109(2) . . ?
Cl4' C74' H74C 109.8 . . ?
Cl3' C74' H74C 109.8 . . ?
Cl4' C74' H74D 109.8 . . ?
Cl3' C74' H74D 109.8 . . ?
H74C C74' H74D 108.3 . . ?
Cl6 C75 Cl5 104.9(10) . . ?
Cl6 C75 H75A 110.8 . . ?
Cl5 C75 H75A 110.8 . . ?
Cl6 C75 H75B 110.8 . . ?
Cl5 C75 H75B 110.8 . . ?
H75A C75 H75B 108.8 . . ?
Cl6' C75' Cl5' 105.8(11) . . ?
Cl6' C75' H75C 110.6 . . ?
Cl5' C75' H75C 110.6 . . ?
Cl6' C75' H75D 110.6 . . ?
Cl5' C75' H75D 110.6 . . ?
H75C C75' H75D 108.7 . . ?

_refine_diff_density_max         1.207
_refine_diff_density_min         -0.759
_refine_diff_density_rms         0.094

####################################################################### 
# 
# 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_4
_database_code_depnum_ccdc_archive 'CCDC 2035741'
loop_
_audit_author_name
_audit_author_address
'Nathalie Saffon'
;Institut de Chimie de Toulouse
France
;
_audit_update_record             
;
2020-10-06 deposited with the CCDC.	2020-12-02 downloaded from the CCDC.
;


#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_formula_moiety         'C45 H38 Au B F12 N P, C H Cl3'
_chemical_formula_sum            'C46 H39 Au B Cl3 F12 N P'
_chemical_formula_weight         1178.88

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_Int_Tables_number      61
loop_
_symmetry_equiv_pos_as_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'
'-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                   18.4404(10)
_cell_length_b                   22.2609(11)
_cell_length_c                   23.8142(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     9775.7(8)
_cell_formula_units_Z            8
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9507
_cell_measurement_theta_min      2.54
_cell_measurement_theta_max      28.62

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_exptl_crystal_density_diffrn    1.602
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4640



#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    3.285
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_absorpt_correction_T_min  0.6101
_exptl_absorpt_correction_T_max  0.7461

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine focus sealed tube'
_diffrn_radiation_monochromator  triumph
_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON3'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_av_R_equivalents  0.0625
_diffrn_reflns_av_unetI/netI     0.0157
_diffrn_reflns_number            292862
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.539
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_reflns_Friedel_coverage         0
_reflns_number_total             8931
_reflns_number_gt                7121
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       APEX2
_computing_cell_refinement       'APEX2 and SAINT'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_hydrogens   geom

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0319P)²+17.2017P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         8931
_refine_ls_number_parameters     802
_refine_ls_number_restraints     750
_refine_ls_R_factor_all          0.0419
_refine_ls_R_factor_gt           0.0281
_refine_ls_wR_factor_ref         0.0763
_refine_ls_wR_factor_gt          0.0676
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.1
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0
_refine_diff_density_max         0.8
_refine_diff_density_min         -0.561
_refine_diff_density_rms         0.07

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 '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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 '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'

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
C1 C 0.49172(18) 0.34613(15) 0.61125(14) 0.0337(7) Uani 1 1 d . . . . .
C2 C 0.4921(2) 0.34941(18) 0.55225(15) 0.0432(9) Uani 1 1 d . . . . .
H2 H 0.448192 0.341041 0.532936 0.052 Uiso 1 1 calc R U . . .
C3 C 0.5521(2) 0.36396(18) 0.52084(16) 0.0504(10) Uani 1 1 d . . . . .
H3 H 0.54928 0.36458 0.481009 0.06 Uiso 1 1 calc R U . . .
C4 C 0.6159(2) 0.37755(18) 0.54728(17) 0.0491(10) Uani 1 1 d . . . . .
H4 H 0.657564 0.388151 0.525976 0.059 Uiso 1 1 calc R U . . .
C5 C 0.6193(2) 0.37573(17) 0.60543(16) 0.0439(9) Uani 1 1 d . . . . .
H5 H 0.663482 0.38554 0.623794 0.053 Uiso 1 1 calc R U . . .
C6 C 0.55883(18) 0.35969(15) 0.63749(14) 0.0347(7) Uani 1 1 d . . . . .
C7 C 0.6680(2) 0.3433(2) 0.72683(17) 0.0495(10) Uani 1 1 d . . . . .
H7 H 0.696406 0.375841 0.708016 0.059 Uiso 1 1 calc R U . . .
C8 C 0.6909(2) 0.2831(2) 0.7019(2) 0.0644(12) Uani 1 1 d . . . . .
H8A H 0.743006 0.277184 0.707963 0.097 Uiso 1 1 calc R U . . .
H8B H 0.680624 0.282849 0.661546 0.097 Uiso 1 1 calc R U . . .
H8C H 0.663909 0.250674 0.72023 0.097 Uiso 1 1 calc R U . . .
C9 C 0.6840(2) 0.3453(2) 0.78977(18) 0.0656(13) Uani 1 1 d . . . . .
H9A H 0.654447 0.315178 0.809126 0.098 Uiso 1 1 calc R U . . .
H9B H 0.672472 0.38532 0.804413 0.098 Uiso 1 1 calc R U . . .
H9C H 0.73552 0.336722 0.796117 0.098 Uiso 1 1 calc R U . . .
C10 C 0.5478(2) 0.43320(17) 0.73773(15) 0.0414(8) Uani 1 1 d . . . . .
H10 H 0.501595 0.444171 0.718256 0.05 Uiso 1 1 calc R U . . .
C11 C 0.5318(2) 0.4372(2) 0.80065(17) 0.0544(11) Uani 1 1 d . . . . .
H11A H 0.577482 0.436659 0.821648 0.082 Uiso 1 1 calc R U . . .
H11B H 0.501937 0.402816 0.811997 0.082 Uiso 1 1 calc R U . . .
H11C H 0.505675 0.474548 0.808617 0.082 Uiso 1 1 calc R U . . .
C12 C 0.6038(2) 0.47955(18) 0.71907(19) 0.0527(10) Uani 1 1 d . . . . .
H12A H 0.585048 0.520045 0.726131 0.079 Uiso 1 1 calc R U . . .
H12B H 0.613482 0.474691 0.678869 0.079 Uiso 1 1 calc R U . . .
H12C H 0.648809 0.473671 0.740243 0.079 Uiso 1 1 calc R U . . .
C13 C 0.4746(2) 0.21201(19) 0.80388(17) 0.0515(10) Uani 1 1 d . . . . .
C22 C 0.34586(18) 0.33784(16) 0.60179(14) 0.0367(8) Uani 1 1 d . . . . .
C23 C 0.32037(19) 0.39677(17) 0.59794(15) 0.0394(8) Uani 1 1 d . . . . .
H23 H 0.345846 0.427602 0.617227 0.047 Uiso 1 1 calc R U . . .
C24 C 0.2592(2) 0.41208(19) 0.56702(16) 0.0465(9) Uani 1 1 d D . . . .
C28 C 0.2328(8) 0.4741(5) 0.5638(6) 0.067(3) Uani 0.453(11) 1 d D U P A 1
F1 F 0.2829(5) 0.5103(4) 0.5457(7) 0.098(3) Uani 0.453(11) 1 d D U P A 1
F2 F 0.2125(9) 0.4941(5) 0.6124(4) 0.106(3) Uani 0.453(11) 1 d D U P A 1
F3 F 0.1787(6) 0.4823(5) 0.5285(6) 0.100(3) Uani 0.453(11) 1 d D U P A 1
C28' C 0.2351(6) 0.4760(4) 0.5670(5) 0.063(2) Uani 0.547(11) 1 d D U P A 2
F1' F 0.2815(4) 0.5158(3) 0.5872(5) 0.098(3) Uani 0.547(11) 1 d D U P A 2
F2' F 0.1750(5) 0.4847(4) 0.5965(5) 0.096(3) Uani 0.547(11) 1 d D U P A 2
F3' F 0.2206(8) 0.4958(4) 0.5161(3) 0.108(3) Uani 0.547(11) 1 d D U P A 2
C25 C 0.2206(2) 0.3680(2) 0.53908(18) 0.0557(11) Uani 1 1 d . . . . .
H25 H 0.178095 0.377798 0.51854 0.067 Uiso 1 1 calc R U . . .
C26 C 0.2450(2) 0.3096(2) 0.54157(18) 0.0537(11) Uani 1 1 d . . . . .
C27 C 0.3068(2) 0.29492(18) 0.57211(17) 0.0467(9) Uani 1 1 d . . . . .
H27 H 0.322871 0.254364 0.572677 0.056 Uiso 1 1 calc R U . . .
C29 C 0.2035(3) 0.2601(3) 0.5132(3) 0.0802(16) Uani 1 1 d . . . . .
C30 C 0.42171(18) 0.25000(16) 0.65322(14) 0.0352(7) Uani 1 1 d . . . . .
C31 C 0.3623(2) 0.21975(16) 0.67659(15) 0.0416(8) Uani 1 1 d . . . . .
H31 H 0.320249 0.24216 0.686311 0.05 Uiso 1 1 calc R U . . .
C32 C 0.3626(2) 0.15842(18) 0.68600(17) 0.0480(9) Uani 1 1 d D . . . .
C37 C 0.2988(4) 0.1287(4) 0.7133(4) 0.0653(19) Uani 0.680(9) 1 d D U P B 1
F7 F 0.2382(3) 0.1597(3) 0.7073(4) 0.096(2) Uani 0.680(9) 1 d D U P B 1
F8 F 0.2888(7) 0.0736(4) 0.6955(4) 0.090(3) Uani 0.680(9) 1 d D U P B 1
F9 F 0.3074(4) 0.1228(4) 0.7689(2) 0.103(2) Uani 0.680(9) 1 d D U P B 1
C37' C 0.2921(9) 0.1306(9) 0.7033(8) 0.075(3) Uani 0.320(9) 1 d D U P B 2
F7' F 0.2673(9) 0.1532(6) 0.7505(7) 0.099(4) Uani 0.320(9) 1 d D U P B 2
F8' F 0.2403(6) 0.1348(7) 0.6652(7) 0.101(3) Uani 0.320(9) 1 d D U P B 2
F9' F 0.2960(14) 0.0721(8) 0.7134(9) 0.082(4) Uani 0.320(9) 1 d D U P B 2
C33 C 0.4236(2) 0.12439(18) 0.67395(17) 0.0527(10) Uani 1 1 d . . . . .
H33 H 0.424146 0.082286 0.680427 0.063 Uiso 1 1 calc R U . . .
C34 C 0.4838(2) 0.15359(18) 0.65216(17) 0.0482(9) Uani 1 1 d D . . . .
C36 C 0.5485(8) 0.1151(7) 0.6400(7) 0.077(3) Uani 0.417(14) 1 d D U P C 1
F10 F 0.6020(7) 0.1446(6) 0.6168(8) 0.105(4) Uani 0.417(14) 1 d D U P C 1
F11 F 0.5305(8) 0.0646(5) 0.6130(6) 0.097(3) Uani 0.417(14) 1 d D U P C 1
F12 F 0.5742(7) 0.0923(8) 0.6865(5) 0.100(3) Uani 0.417(14) 1 d D U P C 1
C36' C 0.5545(6) 0.1206(5) 0.6433(5) 0.068(2) Uani 0.583(14) 1 d D U P C 2
F10' F 0.5842(6) 0.1345(5) 0.5942(3) 0.085(2) Uani 0.583(14) 1 d D U P C 2
F11' F 0.5482(5) 0.0615(3) 0.6415(6) 0.103(3) Uani 0.583(14) 1 d D U P C 2
F12' F 0.6028(5) 0.1302(6) 0.6833(4) 0.111(3) Uani 0.583(14) 1 d D U P C 2
C35 C 0.4825(2) 0.21502(16) 0.64094(16) 0.0407(8) Uani 1 1 d . . . . .
H35 H 0.523823 0.233487 0.624573 0.049 Uiso 1 1 calc R U . . .
C38 C 0.39769(17) 0.35512(15) 0.70003(15) 0.0340(7) Uani 1 1 d . . . . .
C39 C 0.37361(18) 0.37920(16) 0.74114(15) 0.0372(8) Uani 1 1 d . . . . .
C40 C 0.34491(17) 0.41103(17) 0.78894(15) 0.0391(8) Uani 1 1 d . . . . .
C41 C 0.3180(2) 0.46872(18) 0.78303(18) 0.0494(10) Uani 1 1 d . . . . .
H41 H 0.318411 0.487486 0.747207 0.059 Uiso 1 1 calc R U . . .
C42 C 0.2905(2) 0.4992(2) 0.8288(2) 0.0654(13) Uani 1 1 d . . . . .
H42 H 0.272033 0.53868 0.824133 0.078 Uiso 1 1 calc R U . . .
C43 C 0.2897(2) 0.4733(3) 0.8803(2) 0.0768(17) Uani 1 1 d . . . . .
H43 H 0.271073 0.494736 0.911665 0.092 Uiso 1 1 calc R U . . .
C44 C 0.3157(2) 0.4161(3) 0.88711(18) 0.0764(16) Uani 1 1 d . . . . .
H44 H 0.314774 0.398007 0.923212 0.092 Uiso 1 1 calc R U . . .
C45 C 0.3433(2) 0.3845(2) 0.84170(17) 0.0561(11) Uani 1 1 d . . . . .
H45 H 0.361111 0.344763 0.846683 0.067 Uiso 1 1 calc R U . . .
Au1 Au 0.50786(2) 0.28155(2) 0.75812(2) 0.04125(6) Uani 1 1 d . . . . .
B1 B 0.4165(2) 0.32227(18) 0.64183(16) 0.0339(8) Uani 1 1 d . . . . .
N1 N 0.4628(2) 0.17106(16) 0.83155(14) 0.0527(8) Uani 1 1 d D . . . .
C14 C 0.4520(3) 0.12228(19) 0.86742(16) 0.0574(12) Uani 1 1 d D . . . .
C15 C 0.3862(7) 0.1275(6) 0.8976(7) 0.074(2) Uani 0.608(16) 1 d D U P D 1
C16 C 0.3698(8) 0.0824(6) 0.9356(5) 0.081(2) Uani 0.608(16) 1 d D U P D 1
H16 H 0.326311 0.084138 0.957018 0.097 Uiso 0.608(16) 1 calc R U P D 1
C17 C 0.4161(10) 0.0358(5) 0.9421(5) 0.078(2) Uani 0.608(16) 1 d D U P D 1
H17 H 0.403959 0.005422 0.968461 0.093 Uiso 0.608(16) 1 calc R U P D 1
C18 C 0.4799(9) 0.0298(5) 0.9126(5) 0.079(2) Uani 0.608(16) 1 d D U P D 1
H18 H 0.510698 -0.003684 0.919046 0.094 Uiso 0.608(16) 1 calc R U P D 1
C19 C 0.4994(7) 0.0746(5) 0.8722(7) 0.072(2) Uani 0.608(16) 1 d D U P D 1
C20 C 0.3349(7) 0.1792(6) 0.8909(6) 0.096(3) Uani 0.608(16) 1 d D U P D 1
H20A H 0.294669 0.174898 0.917423 0.145 Uiso 0.608(16) 1 calc R U P D 1
H20B H 0.315946 0.179646 0.852424 0.145 Uiso 0.608(16) 1 calc R U P D 1
H20C H 0.360614 0.216922 0.89831 0.145 Uiso 0.608(16) 1 calc R U P D 1
C21 C 0.5650(7) 0.0730(6) 0.8366(6) 0.087(3) Uani 0.608(16) 1 d D U P D 1
H21A H 0.552106 0.084286 0.798045 0.131 Uiso 0.608(16) 1 calc R U P D 1
H21B H 0.585356 0.032368 0.836745 0.131 Uiso 0.608(16) 1 calc R U P D 1
H21C H 0.600963 0.101364 0.851241 0.131 Uiso 0.608(16) 1 calc R U P D 1
C15' C 0.3935(11) 0.1124(10) 0.9012(12) 0.074(3) Uani 0.392(16) 1 d D U P D 2
C16' C 0.3935(11) 0.0621(9) 0.9359(8) 0.077(2) Uani 0.392(16) 1 d D U P D 2
H16' H 0.353861 0.054349 0.960291 0.092 Uiso 0.392(16) 1 calc R U P D 2
C17' C 0.4507(13) 0.0244(8) 0.9342(8) 0.077(3) Uani 0.392(16) 1 d D U P D 2
H17' H 0.449353 -0.01002 0.957723 0.092 Uiso 0.392(16) 1 calc R U P D 2
C18' C 0.5117(12) 0.0326(7) 0.9004(8) 0.077(3) Uani 0.392(16) 1 d D U P D 2
H18' H 0.55006 0.004112 0.90038 0.092 Uiso 0.392(16) 1 calc R U P D 2
C19' C 0.5145(10) 0.0847(9) 0.8661(12) 0.075(3) Uani 0.392(16) 1 d D U P D 2
C20' C 0.3317(10) 0.1536(9) 0.8994(10) 0.091(4) Uani 0.392(16) 1 d D U P D 2
H20D H 0.292166 0.13745 0.922398 0.137 Uiso 0.392(16) 1 calc R U P D 2
H20E H 0.315165 0.158006 0.860515 0.137 Uiso 0.392(16) 1 calc R U P D 2
H20F H 0.346392 0.192869 0.914079 0.137 Uiso 0.392(16) 1 calc R U P D 2
C21' C 0.5798(10) 0.1002(10) 0.8326(9) 0.092(4) Uani 0.392(16) 1 d D U P D 2
H21D H 0.565048 0.111644 0.794511 0.137 Uiso 0.392(16) 1 calc R U P D 2
H21E H 0.61209 0.065289 0.830725 0.137 Uiso 0.392(16) 1 calc R U P D 2
H21F H 0.605235 0.13381 0.850353 0.137 Uiso 0.392(16) 1 calc R U P D 2
P1 P 0.57081(5) 0.35655(4) 0.71350(4) 0.0345(2) Uani 1 1 d . . . . .
F4 F 0.2459(2) 0.22536(19) 0.4828(2) 0.1315(17) Uani 1 1 d . . . . .
F5 F 0.1525(2) 0.27847(16) 0.47983(18) 0.1236(15) Uani 1 1 d . . . . .
F6 F 0.1738(3) 0.2230(2) 0.54943(19) 0.152(2) Uani 1 1 d . . . . .
C46 C 0.4927(8) 0.3382(7) 0.9760(6) 0.153(3) Uani 0.629(5) 1 d D U P E 1
H46 H 0.526828 0.323879 1.005789 0.184 Uiso 0.629(5) 1 calc R U P E 1
Cl1 Cl 0.4078(3) 0.3173(3) 0.9950(2) 0.198(3) Uani 0.629(5) 1 d D U P E 1
Cl2 Cl 0.5169(3) 0.3040(3) 0.91376(18) 0.183(2) Uani 0.629(5) 1 d D U P E 1
Cl3 Cl 0.5018(5) 0.4163(4) 0.9708(3) 0.192(3) Uani 0.629(5) 1 d D U P E 1
C46' C 0.4745(12) 0.3392(9) 0.9894(10) 0.157(4) Uani 0.371(5) 1 d D U P E 2
H46A H 0.510912 0.325567 1.017838 0.189 Uiso 0.371(5) 1 calc R U P E 2
Cl1' Cl 0.3992(4) 0.3704(4) 1.0238(3) 0.151(3) Uani 0.371(5) 1 d D U P E 2
Cl2' Cl 0.4471(6) 0.2782(4) 0.9487(4) 0.193(3) Uani 0.371(5) 1 d D U P E 2
Cl3' Cl 0.5121(7) 0.3933(7) 0.9478(5) 0.210(4) Uani 0.371(5) 1 d D U P E 2



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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
C1 C2 1.407(5) . ?
C1 C6 1.419(5) . ?
C1 B1 1.654(5) . ?
C2 C3 1.374(5) . ?
C2 H2 0.95 . ?
C3 C4 1.369(6) . ?
C3 H3 0.95 . ?
C4 C5 1.387(5) . ?
C4 H4 0.95 . ?
C5 C6 1.398(5) . ?
C5 H5 0.95 . ?
C6 P1 1.825(3) . ?
C7 C8 1.525(6) . ?
C7 C9 1.529(6) . ?
C7 P1 1.843(4) . ?
C7 H7 1 . ?
C8 H8A 0.98 . ?
C8 H8B 0.98 . ?
C8 H8C 0.98 . ?
C9 H9A 0.98 . ?
C9 H9B 0.98 . ?
C9 H9C 0.98 . ?
C10 C12 1.526(5) . ?
C10 C11 1.530(5) . ?
C10 P1 1.851(4) . ?
C10 H10 1 . ?
C11 H11A 0.98 . ?
C11 H11B 0.98 . ?
C11 H11C 0.98 . ?
C12 H12A 0.98 . ?
C12 H12B 0.98 . ?
C12 H12C 0.98 . ?
C13 N1 1.146(5) . ?
C13 Au1 1.990(4) . ?
C22 C27 1.389(5) . ?
C22 C23 1.397(5) . ?
C22 B1 1.651(5) . ?
C23 C24 1.389(5) . ?
C23 H23 0.95 . ?
C24 C25 1.383(6) . ?
C24 C28 1.466(12) . ?
C24 C28' 1.490(10) . ?
C28 F2 1.297(13) . ?
C28 F1 1.299(13) . ?
C28 F3 1.319(13) . ?
C28' F3' 1.318(11) . ?
C28' F1' 1.324(11) . ?
C28' F2' 1.327(11) . ?
C25 C26 1.376(6) . ?
C25 H25 0.95 . ?
C26 C27 1.392(5) . ?
C26 C29 1.502(7) . ?
C27 H27 0.95 . ?
C29 F5 1.297(6) . ?
C29 F6 1.314(7) . ?
C29 F4 1.317(8) . ?
C30 C35 1.395(5) . ?
C30 C31 1.402(5) . ?
C30 B1 1.634(5) . ?
C31 C32 1.384(5) . ?
C31 H31 0.95 . ?
C32 C33 1.386(6) . ?
C32 C37' 1.497(14) . ?
C32 C37 1.498(8) . ?
C37 F8 1.311(11) . ?
C37 F7 1.320(9) . ?
C37 F9 1.341(10) . ?
C37' F7' 1.314(16) . ?
C37' F8' 1.320(18) . ?
C37' F9' 1.327(19) . ?
C33 C34 1.387(6) . ?
C33 H33 0.95 . ?
C34 C35 1.394(5) . ?
C34 C36 1.497(13) . ?
C34 C36' 1.512(9) . ?
C36 F12 1.307(14) . ?
C36 F10 1.307(14) . ?
C36 F11 1.337(14) . ?
C36' F11' 1.322(11) . ?
C36' F12' 1.322(11) . ?
C36' F10' 1.327(10) . ?
C35 H35 0.95 . ?
C38 C39 1.201(5) . ?
C38 B1 1.605(5) . ?
C39 C40 1.441(5) . ?
C40 C41 1.384(5) . ?
C40 C45 1.389(5) . ?
C41 C42 1.379(6) . ?
C41 H41 0.95 . ?
C42 C43 1.356(7) . ?
C42 H42 0.95 . ?
C43 C44 1.369(8) . ?
C43 H43 0.95 . ?
C44 C45 1.388(6) . ?
C44 H44 0.95 . ?
C45 H45 0.95 . ?
Au1 P1 2.2944(9) . ?
N1 C14 1.396(5) . ?
C14 C15' 1.363(13) . ?
C14 C19 1.380(10) . ?
C14 C15 1.415(10) . ?
C14 C19' 1.426(13) . ?
C15 C16 1.387(10) . ?
C15 C20 1.497(11) . ?
C16 C17 1.353(13) . ?
C16 H16 0.95 . ?
C17 C18 1.375(13) . ?
C17 H17 0.95 . ?
C18 C19 1.432(12) . ?
C18 H18 0.95 . ?
C19 C21 1.477(12) . ?
C20 H20A 0.98 . ?
C20 H20B 0.98 . ?
C20 H20C 0.98 . ?
C21 H21A 0.98 . ?
C21 H21B 0.98 . ?
C21 H21C 0.98 . ?
C15' C16' 1.392(14) . ?
C15' C20' 1.463(15) . ?
C16' C17' 1.346(17) . ?
C16' H16' 0.95 . ?
C17' C18' 1.395(17) . ?
C17' H17' 0.95 . ?
C18' C19' 1.421(15) . ?
C18' H18' 0.95 . ?
C19' C21' 1.484(15) . ?
C20' H20D 0.98 . ?
C20' H20E 0.98 . ?
C20' H20F 0.98 . ?
C21' H21D 0.98 . ?
C21' H21E 0.98 . ?
C21' H21F 0.98 . ?
C46 Cl1 1.694(14) . ?
C46 Cl2 1.725(15) . ?
C46 Cl3 1.752(15) . ?
C46 H46 1 . ?
C46' Cl3' 1.706(18) . ?
C46' Cl2' 1.744(19) . ?
C46' Cl1' 1.757(19) . ?
C46' H46A 1 . ?

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
C2 C1 C6 115.1(3) . . ?
C2 C1 B1 117.4(3) . . ?
C6 C1 B1 127.3(3) . . ?
C3 C2 C1 124.1(4) . . ?
C3 C2 H2 118 . . ?
C1 C2 H2 118 . . ?
C4 C3 C2 119.6(4) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C5 119.4(4) . . ?
C3 C4 H4 120.3 . . ?
C5 C4 H4 120.3 . . ?
C4 C5 C6 121.1(4) . . ?
C4 C5 H5 119.4 . . ?
C6 C5 H5 119.4 . . ?
C5 C6 C1 120.6(3) . . ?
C5 C6 P1 117.1(3) . . ?
C1 C6 P1 122.3(3) . . ?
C8 C7 C9 110.7(4) . . ?
C8 C7 P1 110.1(3) . . ?
C9 C7 P1 110.6(3) . . ?
C8 C7 H7 108.5 . . ?
C9 C7 H7 108.5 . . ?
P1 C7 H7 108.5 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C12 C10 C11 112.1(3) . . ?
C12 C10 P1 112.2(3) . . ?
C11 C10 P1 113.8(3) . . ?
C12 C10 H10 106 . . ?
C11 C10 H10 106 . . ?
P1 C10 H10 106 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N1 C13 Au1 173.0(4) . . ?
C27 C22 C23 116.0(3) . . ?
C27 C22 B1 123.9(3) . . ?
C23 C22 B1 120.0(3) . . ?
C24 C23 C22 122.6(4) . . ?
C24 C23 H23 118.7 . . ?
C22 C23 H23 118.7 . . ?
C25 C24 C23 119.9(4) . . ?
C25 C24 C28 118.2(6) . . ?
C23 C24 C28 121.9(7) . . ?
C25 C24 C28' 121.6(6) . . ?
C23 C24 C28' 118.4(6) . . ?
F2 C28 F1 106.8(12) . . ?
F2 C28 F3 107.7(12) . . ?
F1 C28 F3 104.0(11) . . ?
F2 C28 C24 111.8(10) . . ?
F1 C28 C24 111.5(10) . . ?
F3 C28 C24 114.5(11) . . ?
F3' C28' F1' 104.0(9) . . ?
F3' C28' F2' 105.5(9) . . ?
F1' C28' F2' 104.4(9) . . ?
F3' C28' C24 112.3(8) . . ?
F1' C28' C24 116.6(8) . . ?
F2' C28' C24 112.9(9) . . ?
C26 C25 C24 118.8(4) . . ?
C26 C25 H25 120.6 . . ?
C24 C25 H25 120.6 . . ?
C25 C26 C27 120.8(4) . . ?
C25 C26 C29 120.5(4) . . ?
C27 C26 C29 118.7(4) . . ?
C22 C27 C26 121.9(4) . . ?
C22 C27 H27 119 . . ?
C26 C27 H27 119 . . ?
F5 C29 F6 107.4(5) . . ?
F5 C29 F4 106.2(5) . . ?
F6 C29 F4 103.8(5) . . ?
F5 C29 C26 114.4(5) . . ?
F6 C29 C26 112.2(5) . . ?
F4 C29 C26 112.1(5) . . ?
C35 C30 C31 116.3(3) . . ?
C35 C30 B1 124.2(3) . . ?
C31 C30 B1 119.5(3) . . ?
C32 C31 C30 122.3(4) . . ?
C32 C31 H31 118.8 . . ?
C30 C31 H31 118.8 . . ?
C31 C32 C33 120.6(4) . . ?
C31 C32 C37' 116.6(9) . . ?
C33 C32 C37' 122.4(9) . . ?
C31 C32 C37 120.1(5) . . ?
C33 C32 C37 119.1(5) . . ?
F8 C37 F7 109.5(9) . . ?
F8 C37 F9 104.1(7) . . ?
F7 C37 F9 105.0(8) . . ?
F8 C37 C32 112.5(9) . . ?
F7 C37 C32 112.8(6) . . ?
F9 C37 C32 112.3(7) . . ?
F7' C37' F8' 108.0(17) . . ?
F7' C37' F9' 103.8(17) . . ?
F8' C37' F9' 103.4(16) . . ?
F7' C37' C32 112.3(13) . . ?
F8' C37' C32 114.3(13) . . ?
F9' C37' C32 114.1(18) . . ?
C32 C33 C34 118.1(4) . . ?
C32 C33 H33 121 . . ?
C34 C33 H33 121 . . ?
C33 C34 C35 121.2(4) . . ?
C33 C34 C36 116.2(7) . . ?
C35 C34 C36 122.6(7) . . ?
C33 C34 C36' 121.1(5) . . ?
C35 C34 C36' 117.7(5) . . ?
F12 C36 F10 106.2(13) . . ?
F12 C36 F11 99.9(12) . . ?
F10 C36 F11 113.9(14) . . ?
F12 C36 C34 110.3(11) . . ?
F10 C36 C34 113.3(12) . . ?
F11 C36 C34 112.1(11) . . ?
F11' C36' F12' 104.0(9) . . ?
F11' C36' F10' 103.9(9) . . ?
F12' C36' F10' 108.7(9) . . ?
F11' C36' C34 114.3(8) . . ?
F12' C36' C34 113.7(8) . . ?
F10' C36' C34 111.5(8) . . ?
C34 C35 C30 121.4(4) . . ?
C34 C35 H35 119.3 . . ?
C30 C35 H35 119.3 . . ?
C39 C38 B1 170.8(3) . . ?
C38 C39 C40 177.0(4) . . ?
C41 C40 C45 118.7(4) . . ?
C41 C40 C39 120.5(3) . . ?
C45 C40 C39 120.8(4) . . ?
C42 C41 C40 120.5(4) . . ?
C42 C41 H41 119.8 . . ?
C40 C41 H41 119.8 . . ?
C43 C42 C41 120.7(5) . . ?
C43 C42 H42 119.7 . . ?
C41 C42 H42 119.7 . . ?
C42 C43 C44 119.8(4) . . ?
C42 C43 H43 120.1 . . ?
C44 C43 H43 120.1 . . ?
C43 C44 C45 120.6(5) . . ?
C43 C44 H44 119.7 . . ?
C45 C44 H44 119.7 . . ?
C44 C45 C40 119.7(5) . . ?
C44 C45 H45 120.1 . . ?
C40 C45 H45 120.1 . . ?
C13 Au1 P1 167.31(13) . . ?
C38 B1 C30 108.5(3) . . ?
C38 B1 C22 103.4(3) . . ?
C30 B1 C22 110.4(3) . . ?
C38 B1 C1 114.5(3) . . ?
C30 B1 C1 109.9(3) . . ?
C22 B1 C1 109.9(3) . . ?
C13 N1 C14 176.4(4) . . ?
C15' C14 N1 126.9(8) . . ?
C19 C14 N1 123.9(6) . . ?
C19 C14 C15 124.4(7) . . ?
N1 C14 C15 111.7(6) . . ?
C15' C14 C19' 124.0(10) . . ?
N1 C14 C19' 109.1(8) . . ?
C16 C15 C14 117.3(9) . . ?
C16 C15 C20 119.3(9) . . ?
C14 C15 C20 123.4(8) . . ?
C17 C16 C15 119.4(10) . . ?
C17 C16 H16 120.3 . . ?
C15 C16 H16 120.3 . . ?
C16 C17 C18 123.8(9) . . ?
C16 C17 H17 118.1 . . ?
C18 C17 H17 118.1 . . ?
C17 C18 C19 119.4(10) . . ?
C17 C18 H18 120.3 . . ?
C19 C18 H18 120.3 . . ?
C14 C19 C18 115.5(9) . . ?
C14 C19 C21 119.3(8) . . ?
C18 C19 C21 125.1(9) . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C14 C15' C16' 118.7(13) . . ?
C14 C15' C20' 119.8(12) . . ?
C16' C15' C20' 121.5(12) . . ?
C17' C16' C15' 118.9(14) . . ?
C17' C16' H16' 120.5 . . ?
C15' C16' H16' 120.5 . . ?
C16' C17' C18' 124.6(14) . . ?
C16' C17' H17' 117.7 . . ?
C18' C17' H17' 117.7 . . ?
C17' C18' C19' 117.9(14) . . ?
C17' C18' H18' 121 . . ?
C19' C18' H18' 121 . . ?
C18' C19' C14 115.8(12) . . ?
C18' C19' C21' 122.0(13) . . ?
C14 C19' C21' 122.2(12) . . ?
C15' C20' H20D 109.5 . . ?
C15' C20' H20E 109.5 . . ?
H20D C20' H20E 109.5 . . ?
C15' C20' H20F 109.5 . . ?
H20D C20' H20F 109.5 . . ?
H20E C20' H20F 109.5 . . ?
C19' C21' H21D 109.5 . . ?
C19' C21' H21E 109.5 . . ?
H21D C21' H21E 109.5 . . ?
C19' C21' H21F 109.5 . . ?
H21D C21' H21F 109.5 . . ?
H21E C21' H21F 109.5 . . ?
C6 P1 C7 107.13(17) . . ?
C6 P1 C10 104.25(16) . . ?
C7 P1 C10 108.48(18) . . ?
C6 P1 Au1 115.21(12) . . ?
C7 P1 Au1 107.20(14) . . ?
C10 P1 Au1 114.22(12) . . ?
Cl1 C46 Cl2 110.4(8) . . ?
Cl1 C46 Cl3 112.3(10) . . ?
Cl2 C46 Cl3 110.6(8) . . ?
Cl1 C46 H46 107.8 . . ?
Cl2 C46 H46 107.8 . . ?
Cl3 C46 H46 107.8 . . ?
Cl3' C46' Cl2' 110.2(14) . . ?
Cl3' C46' Cl1' 108.2(13) . . ?
Cl2' C46' Cl1' 109.7(12) . . ?
Cl3' C46' H46A 109.6 . . ?
Cl2' C46' H46A 109.6 . . ?
Cl1' C46' H46A 109.6 . . ?

