# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_DV658_b
_database_code_depnum_ccdc_archive 'CCDC 2482839'
loop_
_audit_author_name
_audit_author_address
'Sonia Mallet-Ladeira'
;Institut de Chimie de Toulouse CNRS
France
;
_audit_update_record             
;
2025-08-26 deposited with the CCDC.	2025-10-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/2
_shelx_SHELXL_version_number     2019/2
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C19 H46 Au B10 F3 N4 P2'
_chemical_formula_sum            'C19 H46 Au B10 F3 N4 P2'
_chemical_formula_weight         754.60

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           1
_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'

_cell_length_a                   10.1568(7)
_cell_length_b                   11.9327(8)
_cell_length_c                   13.4874(9)
_cell_angle_alpha                98.078(2)
_cell_angle_beta                 92.088(2)
_cell_angle_gamma                91.572(2)
_cell_volume                     1616.48(19)
_cell_formula_units_Z            2
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    6470
_cell_measurement_theta_min      2.93
_cell_measurement_theta_max      20.91

_exptl_crystal_description       needle
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.550
_exptl_crystal_F_000             748
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.030
_exptl_absorpt_coefficient_mu    4.685
_shelx_estimated_absorpt_T_min   0.486
_shelx_estimated_absorpt_T_max   0.872
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6548
_exptl_absorpt_correction_T_max  0.7383
_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 detector'
_diffrn_measurement_method       'Phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            59541
_diffrn_reflns_av_unetI/netI     0.1178
_diffrn_reflns_av_R_equivalents  0.1006
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         3.053
_diffrn_reflns_theta_max         28.280
_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 0.974
_diffrn_reflns_point_group_measured_fraction_full 0.983
_reflns_number_total             15618
_reflns_number_gt                11138
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.955
_reflns_Friedel_fraction_max     0.952
_reflns_Friedel_fraction_full    0.971

_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-2019/2 (Sheldrick, 2019)'
_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)+(0.0190P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
; 
 Flack x determined using 3994 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   -0.008(5)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         15618
_refine_ls_number_parameters     773
_refine_ls_number_restraints     171
_refine_ls_R_factor_all          0.0876
_refine_ls_R_factor_gt           0.0497
_refine_ls_wR_factor_ref         0.0850
_refine_ls_wR_factor_gt          0.0734
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_restrained_S_all      1.005
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.78591(3) 0.69937(3) 0.78368(3) 0.02700(18) Uani 1 1 d . . . . .
P1 P 0.5642(3) 0.6681(3) 0.7789(3) 0.0232(8) Uani 1 1 d . . . . .
P2 P 0.6573(4) 0.6340(3) 1.0221(3) 0.0316(8) Uani 1 1 d . . . . .
F1 F 1.0357(7) 0.7694(7) 0.7076(6) 0.059(2) Uani 1 1 d . . . . .
F2 F 1.0567(7) 0.6322(7) 0.7895(7) 0.063(3) Uani 1 1 d . . . . .
F3 F 1.0364(7) 0.7988(8) 0.8664(7) 0.058(2) Uani 1 1 d . . . . .
N1 N 0.4825(9) 0.6595(8) 0.6697(7) 0.026(2) Uani 1 1 d . . . . .
N2 N 0.4722(9) 0.7634(8) 0.8426(7) 0.027(2) Uani 1 1 d . . . . .
N3 N 0.5809(11) 0.6264(9) 1.1297(8) 0.038(3) Uani 1 1 d . . . . .
N4 N 0.7969(13) 0.5851(11) 1.0656(9) 0.036(3) Uani 1 1 d . . . . .
C1 C 0.9846(16) 0.7264(12) 0.7856(12) 0.035(4) Uani 1 1 d . . . . .
C2 C 0.5227(10) 0.5285(10) 0.8227(8) 0.026(3) Uani 1 1 d . . . . .
C3 C 0.5746(12) 0.5049(9) 0.9398(9) 0.028(3) Uani 1 1 d . . . . .
C4 C 0.3686(11) 0.7320(11) 0.6753(9) 0.035(3) Uani 1 1 d . . . . .
H4A H 0.290582 0.691447 0.639559 0.042 Uiso 1 1 calc R U . . .
H4B H 0.387337 0.801468 0.645186 0.042 Uiso 1 1 calc R U . . .
C5 C 0.3445(11) 0.7615(10) 0.7870(9) 0.034(3) Uani 1 1 d . . . . .
H5A H 0.304210 0.836466 0.800191 0.041 Uiso 1 1 calc R U . . .
H5B H 0.283559 0.704275 0.808620 0.041 Uiso 1 1 calc R U . . .
C6 C 0.5435(12) 0.6245(10) 0.5725(8) 0.033(3) Uani 1 1 d . . . . .
H6 H 0.614936 0.571296 0.584242 0.040 Uiso 1 1 calc R U . . .
C7 C 0.4394(14) 0.5589(12) 0.5001(9) 0.051(4) Uani 1 1 d . . . . .
H7A H 0.397331 0.499589 0.532599 0.076 Uiso 1 1 calc R U . . .
H7B H 0.481680 0.524330 0.439652 0.076 Uiso 1 1 calc R U . . .
H7C H 0.372649 0.610960 0.481756 0.076 Uiso 1 1 calc R U . . .
C8 C 0.6048(16) 0.7219(12) 0.5289(11) 0.063(5) Uani 1 1 d . . . . .
H8A H 0.535858 0.772762 0.512149 0.094 Uiso 1 1 calc R U . . .
H8B H 0.650226 0.692893 0.468207 0.094 Uiso 1 1 calc R U . . .
H8C H 0.668288 0.763511 0.578095 0.094 Uiso 1 1 calc R U . . .
C9 C 0.5319(13) 0.8749(10) 0.8873(9) 0.030(3) Uani 1 1 d . . . . .
H9 H 0.617627 0.859584 0.920908 0.035 Uiso 1 1 calc R U . . .
C10 C 0.4462(13) 0.9311(11) 0.9683(10) 0.046(4) Uani 1 1 d . . . . .
H10A H 0.362770 0.951447 0.937779 0.069 Uiso 1 1 calc R U . . .
H10B H 0.491978 0.999673 1.003083 0.069 Uiso 1 1 calc R U . . .
H10C H 0.428564 0.878672 1.016302 0.069 Uiso 1 1 calc R U . . .
C11 C 0.5636(14) 0.9516(10) 0.8092(10) 0.046(4) Uani 1 1 d . . . . .
H11A H 0.617393 0.911001 0.757893 0.070 Uiso 1 1 calc R U . . .
H11B H 0.612361 1.019684 0.841818 0.070 Uiso 1 1 calc R U . . .
H11C H 0.481392 0.973329 0.777882 0.070 Uiso 1 1 calc R U . . .
C12 C 0.6642(13) 0.5797(12) 1.2060(9) 0.047(4) Uani 1 1 d . . . . .
H12A H 0.692216 0.640664 1.260951 0.056 Uiso 1 1 calc R U . . .
H12B H 0.613612 0.520881 1.234914 0.056 Uiso 1 1 calc R U . . .
C13 C 0.7807(14) 0.5302(13) 1.1563(11) 0.053(4) Uani 1 1 d . . . . .
H13A H 0.860124 0.544806 1.201628 0.064 Uiso 1 1 calc R U . . .
H13B H 0.767039 0.447347 1.137837 0.064 Uiso 1 1 calc R U . . .
C14 C 0.4791(14) 0.7055(11) 1.1633(10) 0.045(4) Uani 1 1 d . . . . .
H14 H 0.435656 0.727252 1.101349 0.054 Uiso 1 1 calc R U . . .
C15 C 0.3701(16) 0.6437(15) 1.2166(13) 0.076(6) Uani 1 1 d . . . . .
H15A H 0.338178 0.575175 1.172675 0.115 Uiso 1 1 calc R U . . .
H15B H 0.296688 0.694283 1.231111 0.115 Uiso 1 1 calc R U . . .
H15C H 0.407188 0.623007 1.279355 0.115 Uiso 1 1 calc R U . . .
C16 C 0.5324(18) 0.8136(14) 1.2237(13) 0.089(6) Uani 1 1 d . . . . .
H16A H 0.558979 0.799351 1.291257 0.133 Uiso 1 1 calc R U . . .
H16B H 0.464018 0.870304 1.228070 0.133 Uiso 1 1 calc R U . . .
H16C H 0.608864 0.841728 1.191202 0.133 Uiso 1 1 calc R U . . .
C17 C 0.9247(15) 0.6045(14) 1.0272(12) 0.045(4) Uani 1 1 d . . . . .
H17 H 0.908624 0.638843 0.964575 0.054 Uiso 1 1 calc R U . . .
C18 C 0.9983(16) 0.4985(14) 0.9971(13) 0.077(5) Uani 1 1 d . . . . .
H18A H 1.026014 0.466224 1.057182 0.116 Uiso 1 1 calc R U . . .
H18B H 1.076074 0.516520 0.960752 0.116 Uiso 1 1 calc R U . . .
H18C H 0.940725 0.443432 0.953800 0.116 Uiso 1 1 calc R U . . .
C19 C 1.0128(17) 0.6906(15) 1.0974(14) 0.080(6) Uani 1 1 d . . . . .
H19A H 0.966620 0.761754 1.112218 0.119 Uiso 1 1 calc R U . . .
H19B H 1.095067 0.704706 1.064834 0.119 Uiso 1 1 calc R U . . .
H19C H 1.032639 0.660349 1.159989 0.119 Uiso 1 1 calc R U . . .
B1 B 0.3779(13) 0.4528(11) 0.7830(10) 0.029(3) Uani 1 1 d . . . . .
H1 H 0.298946 0.481201 0.732853 0.034 Uiso 1 1 calc R U . . .
B2 B 0.4205(14) 0.3098(12) 0.7760(11) 0.036(4) Uani 1 1 d . . . . .
H2 H 0.368681 0.243059 0.720374 0.044 Uiso 1 1 calc R U . . .
B3 B 0.4733(17) 0.2823(13) 0.8986(13) 0.049(4) Uani 1 1 d . . . . .
H3 H 0.456089 0.197793 0.923827 0.058 Uiso 1 1 calc R U . . .
B4 B 0.6198(16) 0.3681(12) 0.9363(12) 0.042(4) Uani 1 1 d . . . . .
H4 H 0.699715 0.341139 0.986368 0.051 Uiso 1 1 calc R U . . .
B5 B 0.5339(13) 0.4090(11) 0.7377(11) 0.029(3) Uani 1 1 d . . . . .
H5 H 0.558319 0.409384 0.657455 0.034 Uiso 1 1 calc R U . . .
B6 B 0.3420(16) 0.3774(12) 0.8830(14) 0.048(5) Uani 1 1 d . . . . .
H6A H 0.237640 0.355349 0.898845 0.058 Uiso 1 1 calc R U . . .
B7 B 0.5902(16) 0.3029(13) 0.8095(13) 0.039(4) Uani 1 1 d . . . . .
H7 H 0.650519 0.230971 0.776113 0.046 Uiso 1 1 calc R U . . .
B8 B 0.4641(16) 0.4134(12) 0.9835(13) 0.046(4) Uani 1 1 d . . . . .
H8 H 0.440864 0.415895 1.064300 0.056 Uiso 1 1 calc R U . . .
B9 B 0.6554(14) 0.4444(11) 0.8365(10) 0.031(3) Uani 1 1 d . . . . .
H9A H 0.759107 0.468696 0.820881 0.037 Uiso 1 1 calc R U . . .
B10 B 0.4072(14) 0.5176(13) 0.9107(11) 0.036(4) Uani 1 1 d . . . . .
H10 H 0.348163 0.590271 0.944220 0.043 Uiso 1 1 calc R U . . .
Au2 Au 0.27078(3) 0.09715(3) 0.52278(3) 0.02762(18) Uani 1 1 d . . . . .
P3 P 0.0506(4) 0.1143(3) 0.5396(3) 0.0234(8) Uani 1 1 d . . . . .
P4 P 0.0769(4) 0.1618(3) 0.2919(3) 0.0325(9) Uani 1 1 d . . . . .
N5 N -0.0047(9) 0.1139(8) 0.6531(7) 0.025(2) Uani 1 1 d . . . . .
N6 N -0.0489(10) 0.0109(8) 0.4831(8) 0.033(3) Uani 1 1 d . . . . .
N8 N 0.2034(14) 0.2317(11) 0.2490(10) 0.043(4) Uani 1 1 d . . . . .
C20 C 0.4662(15) 0.0721(15) 0.5124(9) 0.047(3) Uani 1 1 d D U . . .
F4 F 0.513(3) 0.022(3) 0.4253(19) 0.068(6) Uani 0.49(4) 1 d D U P A 1
F5 F 0.541(3) 0.1701(18) 0.525(3) 0.065(6) Uani 0.49(4) 1 d D U P A 1
F6 F 0.524(3) 0.013(3) 0.583(2) 0.062(6) Uani 0.49(4) 1 d D U P A 1
F4' F 0.496(3) -0.025(3) 0.449(2) 0.068(6) Uani 0.51(4) 1 d D U P A 2
F5' F 0.534(3) 0.066(3) 0.5991(17) 0.063(6) Uani 0.51(4) 1 d D U P A 2
F6' F 0.545(2) 0.150(2) 0.475(3) 0.068(6) Uani 0.51(4) 1 d D U P A 2
C21 C -0.0108(10) 0.2511(10) 0.5020(8) 0.024(3) Uani 1 1 d . . . . .
C22 C 0.0020(11) 0.2789(10) 0.3827(8) 0.029(3) Uani 1 1 d . . . . .
C23 C -0.1183(11) 0.0355(10) 0.6537(9) 0.036(3) Uani 1 1 d . . . . .
H23A H -0.190894 0.074234 0.690241 0.043 Uiso 1 1 calc R U . . .
H23B H -0.093389 -0.029904 0.687303 0.043 Uiso 1 1 calc R U . . .
C24 C -0.1613(14) -0.0036(12) 0.5468(10) 0.053(4) Uani 1 1 d . . . . .
H24A H -0.190765 -0.084246 0.538505 0.063 Uiso 1 1 calc R U . . .
H24B H -0.235863 0.041382 0.527175 0.063 Uiso 1 1 calc R U . . .
C25 C 0.0706(11) 0.1546(9) 0.7464(8) 0.027(3) Uani 1 1 d . . . . .
H25 H 0.135458 0.213467 0.730546 0.032 Uiso 1 1 calc R U . . .
C26 C 0.1501(14) 0.0633(11) 0.7861(10) 0.053(4) Uani 1 1 d . . . . .
H26A H 0.090066 0.004930 0.805044 0.080 Uiso 1 1 calc R U . . .
H26B H 0.204364 0.096961 0.844871 0.080 Uiso 1 1 calc R U . . .
H26C H 0.207221 0.029036 0.733911 0.080 Uiso 1 1 calc R U . . .
C27 C -0.0205(13) 0.2146(12) 0.8239(9) 0.051(4) Uani 1 1 d . . . . .
H27A H -0.070916 0.270860 0.793590 0.077 Uiso 1 1 calc R U . . .
H27B H 0.032628 0.252546 0.881716 0.077 Uiso 1 1 calc R U . . .
H27C H -0.081336 0.158783 0.845927 0.077 Uiso 1 1 calc R U . . .
C28 C 0.0020(14) -0.0902(11) 0.4211(9) 0.040(3) Uani 1 1 d . . . . .
H28 H 0.074825 -0.063161 0.381482 0.048 Uiso 1 1 calc R U . . .
C29 C -0.1076(19) -0.1434(14) 0.3457(11) 0.094(7) Uani 1 1 d . . . . .
H29A H -0.169972 -0.187387 0.379864 0.141 Uiso 1 1 calc R U . . .
H29B H -0.068514 -0.193292 0.291380 0.141 Uiso 1 1 calc R U . . .
H29C H -0.154180 -0.083280 0.317790 0.141 Uiso 1 1 calc R U . . .
C30 C 0.0609(18) -0.1743(12) 0.4854(13) 0.080(6) Uani 1 1 d . . . . .
H30A H 0.135683 -0.137732 0.526698 0.119 Uiso 1 1 calc R U . . .
H30B H 0.091131 -0.240456 0.441595 0.119 Uiso 1 1 calc R U . . .
H30C H -0.006382 -0.198565 0.528803 0.119 Uiso 1 1 calc R U . . .
C31 C 0.0309(16) 0.2462(13) 0.1286(11) 0.064(5) Uani 1 1 d . . . . .
H31A H -0.015510 0.318051 0.143993 0.077 Uiso 1 1 calc R U . . .
H31B H 0.014580 0.217535 0.056511 0.077 Uiso 1 1 calc R U . . .
C32 C 0.1758(15) 0.2668(13) 0.1507(10) 0.051(4) Uani 1 1 d . . . . .
H32A H 0.226812 0.221931 0.098847 0.062 Uiso 1 1 calc R U . . .
H32B H 0.199908 0.347975 0.152186 0.062 Uiso 1 1 calc R U . . .
N7 N -0.0194(11) 0.1636(9) 0.1888(8) 0.040(3) Uani 1 1 d D . . . .
C33 C -0.125(2) 0.079(2) 0.151(2) 0.059(6) Uani 0.61(3) 1 d D U P B 1
H33 H -0.147664 0.038023 0.207673 0.070 Uiso 0.61(3) 1 calc R U P B 1
C34 C -0.248(2) 0.136(3) 0.121(3) 0.071(7) Uani 0.61(3) 1 d D U P B 1
H34A H -0.264592 0.199690 0.172760 0.106 Uiso 0.61(3) 1 calc R U P B 1
H34B H -0.322740 0.081069 0.115594 0.106 Uiso 0.61(3) 1 calc R U P B 1
H34C H -0.236740 0.162795 0.056909 0.106 Uiso 0.61(3) 1 calc R U P B 1
C35 C -0.083(4) -0.010(2) 0.067(2) 0.086(8) Uani 0.61(3) 1 d D U P B 1
H35A H -0.052883 0.027552 0.011330 0.129 Uiso 0.61(3) 1 calc R U P B 1
H35B H -0.158137 -0.061215 0.043924 0.129 Uiso 0.61(3) 1 calc R U P B 1
H35C H -0.011264 -0.052514 0.092153 0.129 Uiso 0.61(3) 1 calc R U P B 1
C33' C -0.083(4) 0.056(3) 0.137(3) 0.065(7) Uani 0.39(3) 1 d D U P B 2
H33' H -0.096506 0.003318 0.187346 0.078 Uiso 0.39(3) 1 calc R U P B 2
C34' C -0.216(4) 0.079(4) 0.090(4) 0.075(8) Uani 0.39(3) 1 d D U P B 2
H34D H -0.270713 0.117561 0.141916 0.113 Uiso 0.39(3) 1 calc R U P B 2
H34E H -0.259209 0.007497 0.060329 0.113 Uiso 0.39(3) 1 calc R U P B 2
H34F H -0.202970 0.127684 0.038118 0.113 Uiso 0.39(3) 1 calc R U P B 2
C35' C 0.016(6) 0.005(4) 0.061(3) 0.083(10) Uani 0.39(3) 1 d D U P B 2
H35D H 0.015524 0.046831 0.003630 0.125 Uiso 0.39(3) 1 calc R U P B 2
H35E H -0.009194 -0.074704 0.038139 0.125 Uiso 0.39(3) 1 calc R U P B 2
H35F H 0.104518 0.009694 0.093062 0.125 Uiso 0.39(3) 1 calc R U P B 2
C36 C 0.3364(15) 0.2121(12) 0.2760(11) 0.039(3) Uani 1 1 d . . . . .
H36 H 0.336084 0.193879 0.346121 0.047 Uiso 1 1 calc R U . . .
C37 C 0.3927(17) 0.1084(16) 0.2120(16) 0.097(7) Uani 1 1 d . . . . .
H37A H 0.330134 0.043808 0.208170 0.146 Uiso 1 1 calc R U . . .
H37B H 0.476613 0.089468 0.242719 0.146 Uiso 1 1 calc R U . . .
H37C H 0.407163 0.126026 0.144306 0.146 Uiso 1 1 calc R U . . .
C38 C 0.4276(16) 0.3124(13) 0.2787(11) 0.069(5) Uani 1 1 d . . . . .
H38A H 0.396838 0.375025 0.326269 0.103 Uiso 1 1 calc R U . . .
H38B H 0.429690 0.335295 0.211779 0.103 Uiso 1 1 calc R U . . .
H38C H 0.516437 0.292915 0.299881 0.103 Uiso 1 1 calc R U . . .
B11 B 0.0132(13) 0.3717(11) 0.5861(10) 0.029(3) Uani 1 1 d . . . . .
H11 H 0.059807 0.374826 0.662998 0.035 Uiso 1 1 calc R U . . .
B12 B -0.1190(13) 0.4603(12) 0.5620(11) 0.032(3) Uani 1 1 d . . . . .
H12 H -0.159944 0.522862 0.621921 0.039 Uiso 1 1 calc R U . . .
B13 B -0.1056(15) 0.4875(13) 0.4347(12) 0.043(4) Uani 1 1 d . . . . .
H13 H -0.138628 0.569159 0.411516 0.051 Uiso 1 1 calc R U . . .
B14 B -0.1273(16) 0.3598(12) 0.3524(11) 0.041(4) Uani 1 1 d . . . . .
H14A H -0.173844 0.355808 0.275360 0.049 Uiso 1 1 calc R U . . .
B15 B -0.1478(13) 0.3094(11) 0.5562(10) 0.031(3) Uani 1 1 d . . . . .
H15 H -0.207090 0.272141 0.612671 0.037 Uiso 1 1 calc R U . . .
B16 B 0.0388(14) 0.4814(12) 0.5127(11) 0.036(4) Uani 1 1 d . . . . .
H16 H 0.101924 0.558411 0.541399 0.043 Uiso 1 1 calc R U . . .
B17 B -0.2210(16) 0.3812(13) 0.4609(12) 0.038(4) Uani 1 1 d . . . . .
H17A H -0.330094 0.391731 0.455168 0.046 Uiso 1 1 calc R U . . .
B18 B 0.0346(15) 0.4213(12) 0.3838(11) 0.037(4) Uani 1 1 d . . . . .
H18 H 0.095037 0.457667 0.327464 0.045 Uiso 1 1 calc R U . . .
B19 B -0.1506(14) 0.2477(12) 0.4267(10) 0.034(3) Uani 1 1 d . . . . .
H19 H -0.210193 0.168542 0.398476 0.041 Uiso 1 1 calc R U . . .
B20 B 0.1088(13) 0.3471(11) 0.4767(10) 0.029(3) Uani 1 1 d . . . . .
H20 H 0.217184 0.332568 0.480828 0.034 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 2.034(16) . ?
Au1 P1 2.269(4) . ?
P1 N1 1.653(10) . ?
P1 N2 1.658(10) . ?
P1 C2 1.886(12) . ?
P2 N4 1.667(13) . ?
P2 N3 1.683(11) . ?
P2 C3 1.921(12) . ?
F1 C1 1.348(17) . ?
F2 C1 1.364(14) . ?
F3 C1 1.372(16) . ?
N1 C4 1.462(13) . ?
N1 C6 1.482(14) . ?
N2 C5 1.473(14) . ?
N2 C9 1.485(15) . ?
N3 C14 1.461(15) . ?
N3 C12 1.486(15) . ?
N4 C17 1.440(19) . ?
N4 C13 1.478(17) . ?
C2 B5 1.708(17) . ?
C2 C3 1.709(16) . ?
C2 B10 1.714(18) . ?
C2 B9 1.723(17) . ?
C2 B1 1.732(16) . ?
C3 B4 1.703(18) . ?
C3 B8 1.721(19) . ?
C3 B9 1.723(18) . ?
C3 B10 1.746(18) . ?
C4 C5 1.528(15) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C8 1.505(17) . ?
C6 C7 1.532(16) . ?
C6 H6 1.0000 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.516(16) . ?
C9 C11 1.525(16) . ?
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 1.478(17) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C16 1.501(19) . ?
C14 C15 1.56(2) . ?
C14 H14 1.0000 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.50(2) . ?
C17 C19 1.54(2) . ?
C17 H17 1.0000 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
B1 B2 1.762(19) . ?
B1 B6 1.77(2) . ?
B1 B5 1.784(18) . ?
B1 B10 1.80(2) . ?
B1 H1 1.1200 . ?
B2 B5 1.770(19) . ?
B2 B7 1.77(2) . ?
B2 B6 1.78(2) . ?
B2 B3 1.80(2) . ?
B2 H2 1.1200 . ?
B3 B7 1.76(2) . ?
B3 B4 1.80(2) . ?
B3 B6 1.80(2) . ?
B3 B8 1.81(2) . ?
B3 H3 1.1200 . ?
B4 B9 1.769(19) . ?
B4 B7 1.79(2) . ?
B4 B8 1.79(2) . ?
B4 H4 1.1200 . ?
B5 B9 1.781(18) . ?
B5 B7 1.79(2) . ?
B5 H5 1.1200 . ?
B6 B10 1.77(2) . ?
B6 B8 1.80(2) . ?
B6 H6A 1.1200 . ?
B7 B9 1.78(2) . ?
B7 H7 1.1200 . ?
B8 B10 1.79(2) . ?
B8 H8 1.1200 . ?
B9 H9A 1.1200 . ?
B10 H10 1.1200 . ?
Au2 C20 2.022(15) . ?
Au2 P3 2.268(4) . ?
P3 N5 1.651(10) . ?
P3 N6 1.654(10) . ?
P3 C21 1.891(12) . ?
P4 N7 1.674(11) . ?
P4 N8 1.677(14) . ?
P4 C22 1.917(12) . ?
N5 C25 1.463(13) . ?
N5 C23 1.467(13) . ?
N6 C24 1.474(16) . ?
N6 C28 1.484(15) . ?
N8 C36 1.421(18) . ?
N8 C32 1.465(17) . ?
C20 F5' 1.35(3) . ?
C20 F4 1.35(2) . ?
C20 F5 1.36(2) . ?
C20 F6' 1.37(2) . ?
C20 F4' 1.38(2) . ?
C20 F6 1.39(2) . ?
C21 C22 1.696(15) . ?
C21 B11 1.708(16) . ?
C21 B19 1.711(17) . ?
C21 B15 1.714(17) . ?
C21 B20 1.722(16) . ?
C22 B18 1.721(18) . ?
C22 B14 1.722(17) . ?
C22 B19 1.729(18) . ?
C22 B20 1.734(17) . ?
C23 C24 1.497(16) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.519(15) . ?
C25 C27 1.535(16) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C30 1.536(18) . ?
C28 C29 1.542(18) . ?
C28 H28 1.0000 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 N7 1.456(16) . ?
C31 C32 1.498(19) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
N7 C33 1.48(2) . ?
N7 C33' 1.49(3) . ?
C33 C34 1.50(3) . ?
C33 C35 1.51(3) . ?
C33 H33 1.0000 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C33' C34' 1.52(3) . ?
C33' C35' 1.54(3) . ?
C33' H33' 1.0000 . ?
C34' H34D 0.9800 . ?
C34' H34E 0.9800 . ?
C34' H34F 0.9800 . ?
C35' H35D 0.9800 . ?
C35' H35E 0.9800 . ?
C35' H35F 0.9800 . ?
C36 C38 1.489(18) . ?
C36 C37 1.542(19) . ?
C36 H36 1.0000 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
B11 B16 1.77(2) . ?
B11 B12 1.780(19) . ?
B11 B15 1.786(19) . ?
B11 B20 1.790(18) . ?
B11 H11 1.1200 . ?
B12 B16 1.78(2) . ?
B12 B13 1.80(2) . ?
B12 B15 1.807(19) . ?
B12 B17 1.82(2) . ?
B12 H12 1.1200 . ?
B13 B14 1.76(2) . ?
B13 B18 1.76(2) . ?
B13 B16 1.78(2) . ?
B13 B17 1.78(2) . ?
B13 H13 1.1200 . ?
B14 B17 1.77(2) . ?
B14 B18 1.79(2) . ?
B14 B19 1.80(2) . ?
B14 H14A 1.1200 . ?
B15 B17 1.79(2) . ?
B15 B19 1.796(19) . ?
B15 H15 1.1200 . ?
B16 B20 1.783(19) . ?
B16 B18 1.78(2) . ?
B16 H16 1.1200 . ?
B17 B19 1.77(2) . ?
B17 H17A 1.1200 . ?
B18 B20 1.789(19) . ?
B18 H18 1.1200 . ?
B19 H19 1.1200 . ?
B20 H20 1.1200 . ?

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 P1 179.1(5) . . ?
N1 P1 N2 97.6(5) . . ?
N1 P1 C2 103.5(5) . . ?
N2 P1 C2 106.4(5) . . ?
N1 P1 Au1 118.4(4) . . ?
N2 P1 Au1 118.7(4) . . ?
C2 P1 Au1 110.4(4) . . ?
N4 P2 N3 92.8(6) . . ?
N4 P2 C3 104.2(6) . . ?
N3 P2 C3 99.6(6) . . ?
C4 N1 C6 120.5(9) . . ?
C4 N1 P1 111.8(7) . . ?
C6 N1 P1 123.2(8) . . ?
C5 N2 C9 118.2(9) . . ?
C5 N2 P1 107.1(7) . . ?
C9 N2 P1 119.8(8) . . ?
C14 N3 C12 118.9(10) . . ?
C14 N3 P2 121.2(8) . . ?
C12 N3 P2 113.3(8) . . ?
C17 N4 C13 121.8(12) . . ?
C17 N4 P2 124.3(11) . . ?
C13 N4 P2 113.6(10) . . ?
F1 C1 F2 102.2(12) . . ?
F1 C1 F3 102.5(12) . . ?
F2 C1 F3 102.2(12) . . ?
F1 C1 Au1 117.7(11) . . ?
F2 C1 Au1 115.0(10) . . ?
F3 C1 Au1 115.1(10) . . ?
B5 C2 C3 110.9(8) . . ?
B5 C2 B10 114.0(9) . . ?
C3 C2 B10 61.3(7) . . ?
B5 C2 B9 62.5(7) . . ?
C3 C2 B9 60.3(7) . . ?
B10 C2 B9 112.6(9) . . ?
B5 C2 B1 62.5(7) . . ?
C3 C2 B1 111.6(9) . . ?
B10 C2 B1 62.9(8) . . ?
B9 C2 B1 113.7(9) . . ?
B5 C2 P1 117.1(8) . . ?
C3 C2 P1 119.9(7) . . ?
B10 C2 P1 121.5(8) . . ?
B9 C2 P1 114.9(7) . . ?
B1 C2 P1 121.4(8) . . ?
B4 C3 C2 109.8(9) . . ?
B4 C3 B8 63.2(8) . . ?
C2 C3 B8 109.3(10) . . ?
B4 C3 B9 62.2(8) . . ?
C2 C3 B9 60.3(7) . . ?
B8 C3 B9 113.4(9) . . ?
B4 C3 B10 113.2(10) . . ?
C2 C3 B10 59.5(7) . . ?
B8 C3 B10 62.0(8) . . ?
B9 C3 B10 111.0(9) . . ?
B4 C3 P2 125.8(9) . . ?
C2 C3 P2 114.8(7) . . ?
B8 C3 P2 123.6(9) . . ?
B9 C3 P2 118.2(8) . . ?
B10 C3 P2 115.1(8) . . ?
N1 C4 C5 105.5(9) . . ?
N1 C4 H4A 110.6 . . ?
C5 C4 H4A 110.6 . . ?
N1 C4 H4B 110.6 . . ?
C5 C4 H4B 110.6 . . ?
H4A C4 H4B 108.8 . . ?
N2 C5 C4 108.2(9) . . ?
N2 C5 H5A 110.1 . . ?
C4 C5 H5A 110.1 . . ?
N2 C5 H5B 110.1 . . ?
C4 C5 H5B 110.1 . . ?
H5A C5 H5B 108.4 . . ?
N1 C6 C8 113.3(10) . . ?
N1 C6 C7 108.6(10) . . ?
C8 C6 C7 111.7(11) . . ?
N1 C6 H6 107.7 . . ?
C8 C6 H6 107.7 . . ?
C7 C6 H6 107.7 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N2 C9 C10 110.2(10) . . ?
N2 C9 C11 113.1(10) . . ?
C10 C9 C11 112.6(10) . . ?
N2 C9 H9 106.9 . . ?
C10 C9 H9 106.9 . . ?
C11 C9 H9 106.9 . . ?
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 N3 108.1(10) . . ?
C13 C12 H12A 110.1 . . ?
N3 C12 H12A 110.1 . . ?
C13 C12 H12B 110.1 . . ?
N3 C12 H12B 110.1 . . ?
H12A C12 H12B 108.4 . . ?
N4 C13 C12 106.6(11) . . ?
N4 C13 H13A 110.4 . . ?
C12 C13 H13A 110.4 . . ?
N4 C13 H13B 110.4 . . ?
C12 C13 H13B 110.4 . . ?
H13A C13 H13B 108.6 . . ?
N3 C14 C16 113.7(12) . . ?
N3 C14 C15 109.9(11) . . ?
C16 C14 C15 113.6(13) . . ?
N3 C14 H14 106.3 . . ?
C16 C14 H14 106.3 . . ?
C15 C14 H14 106.3 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N4 C17 C18 114.1(14) . . ?
N4 C17 C19 113.4(14) . . ?
C18 C17 C19 110.1(14) . . ?
N4 C17 H17 106.2 . . ?
C18 C17 H17 106.2 . . ?
C19 C17 H17 106.2 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C2 B1 B2 104.4(9) . . ?
C2 B1 B6 104.2(10) . . ?
B2 B1 B6 60.5(8) . . ?
C2 B1 B5 58.1(7) . . ?
B2 B1 B5 59.9(7) . . ?
B6 B1 B5 107.8(10) . . ?
C2 B1 B10 58.1(7) . . ?
B2 B1 B10 107.5(11) . . ?
B6 B1 B10 59.4(8) . . ?
B5 B1 B10 106.5(9) . . ?
C2 B1 H1 125.2 . . ?
B2 B1 H1 122.2 . . ?
B6 B1 H1 122.4 . . ?
B5 B1 H1 122.1 . . ?
B10 B1 H1 122.4 . . ?
B1 B2 B5 60.7(7) . . ?
B1 B2 B7 109.3(10) . . ?
B5 B2 B7 60.8(8) . . ?
B1 B2 B6 59.9(8) . . ?
B5 B2 B6 107.9(10) . . ?
B7 B2 B6 107.3(12) . . ?
B1 B2 B3 109.1(11) . . ?
B5 B2 B3 108.1(11) . . ?
B7 B2 B3 58.9(9) . . ?
B6 B2 B3 60.5(9) . . ?
B1 B2 H2 120.7 . . ?
B5 B2 H2 121.4 . . ?
B7 B2 H2 121.8 . . ?
B6 B2 H2 122.1 . . ?
B3 B2 H2 121.7 . . ?
B7 B3 B2 59.9(9) . . ?
B7 B3 B4 60.3(9) . . ?
B2 B3 B4 107.8(11) . . ?
B7 B3 B6 107.1(11) . . ?
B2 B3 B6 59.3(9) . . ?
B4 B3 B6 107.1(10) . . ?
B7 B3 B8 108.0(11) . . ?
B2 B3 B8 107.5(11) . . ?
B4 B3 B8 59.6(9) . . ?
B6 B3 B8 59.9(9) . . ?
B7 B3 H3 121.7 . . ?
B2 B3 H3 122.1 . . ?
B4 B3 H3 121.9 . . ?
B6 B3 H3 122.5 . . ?
B8 B3 H3 121.8 . . ?
C3 B4 B9 59.5(7) . . ?
C3 B4 B7 106.0(10) . . ?
B9 B4 B7 60.1(8) . . ?
C3 B4 B8 58.9(8) . . ?
B9 B4 B8 107.8(10) . . ?
B7 B4 B8 107.3(12) . . ?
C3 B4 B3 105.9(11) . . ?
B9 B4 B3 107.1(11) . . ?
B7 B4 B3 58.6(9) . . ?
B8 B4 B3 60.5(9) . . ?
C3 B4 H4 123.4 . . ?
B9 B4 H4 121.7 . . ?
B7 B4 H4 122.6 . . ?
B8 B4 H4 121.7 . . ?
B3 B4 H4 122.6 . . ?
C2 B5 B2 105.1(10) . . ?
C2 B5 B9 59.1(7) . . ?
B2 B5 B9 107.7(10) . . ?
C2 B5 B1 59.4(7) . . ?
B2 B5 B1 59.4(7) . . ?
B9 B5 B1 108.5(10) . . ?
C2 B5 B7 105.1(10) . . ?
B2 B5 B7 59.7(8) . . ?
B9 B5 B7 59.8(8) . . ?
B1 B5 B7 107.5(10) . . ?
C2 B5 H5 124.0 . . ?
B2 B5 H5 122.7 . . ?
B9 B5 H5 121.4 . . ?
B1 B5 H5 121.5 . . ?
B7 B5 H5 122.7 . . ?
B10 B6 B1 61.1(8) . . ?
B10 B6 B2 108.1(10) . . ?
B1 B6 B2 59.6(8) . . ?
B10 B6 B3 108.1(11) . . ?
B1 B6 B3 108.7(11) . . ?
B2 B6 B3 60.3(9) . . ?
B10 B6 B8 60.0(8) . . ?
B1 B6 B8 109.7(10) . . ?
B2 B6 B8 108.7(11) . . ?
B3 B6 B8 60.4(9) . . ?
B10 B6 H6A 121.6 . . ?
B1 B6 H6A 120.8 . . ?
B2 B6 H6A 121.8 . . ?
B3 B6 H6A 121.5 . . ?
B8 B6 H6A 120.9 . . ?
B3 B7 B2 61.2(9) . . ?
B3 B7 B9 108.4(11) . . ?
B2 B7 B9 107.5(10) . . ?
B3 B7 B4 61.0(9) . . ?
B2 B7 B4 109.3(11) . . ?
B9 B7 B4 59.4(8) . . ?
B3 B7 B5 108.9(11) . . ?
B2 B7 B5 59.5(8) . . ?
B9 B7 B5 59.8(8) . . ?
B4 B7 B5 108.0(10) . . ?
B3 B7 H7 120.5 . . ?
B2 B7 H7 121.3 . . ?
B9 B7 H7 122.3 . . ?
B4 B7 H7 121.2 . . ?
B5 B7 H7 121.9 . . ?
C3 B8 B10 59.7(7) . . ?
C3 B8 B4 57.9(8) . . ?
B10 B8 B4 107.1(10) . . ?
C3 B8 B6 105.2(11) . . ?
B10 B8 B6 59.0(9) . . ?
B4 B8 B6 107.2(12) . . ?
C3 B8 B3 104.7(11) . . ?
B10 B8 B3 106.9(11) . . ?
B4 B8 B3 59.9(9) . . ?
B6 B8 B3 59.8(9) . . ?
C3 B8 H8 124.2 . . ?
B10 B8 H8 122.0 . . ?
B4 B8 H8 122.2 . . ?
B6 B8 H8 122.7 . . ?
B3 B8 H8 122.7 . . ?
C2 B9 C3 59.5(7) . . ?
C2 B9 B4 106.2(10) . . ?
C3 B9 B4 58.4(8) . . ?
C2 B9 B5 58.3(7) . . ?
C3 B9 B5 106.9(10) . . ?
B4 B9 B5 109.4(10) . . ?
C2 B9 B7 105.0(10) . . ?
C3 B9 B7 105.5(10) . . ?
B4 B9 B7 60.5(9) . . ?
B5 B9 B7 60.4(8) . . ?
C2 B9 H9A 123.8 . . ?
C3 B9 H9A 123.3 . . ?
B4 B9 H9A 121.5 . . ?
B5 B9 H9A 121.3 . . ?
B7 B9 H9A 122.9 . . ?
C2 B10 C3 59.2(7) . . ?
C2 B10 B6 104.9(10) . . ?
C3 B10 B6 105.6(10) . . ?
C2 B10 B8 106.2(10) . . ?
C3 B10 B8 58.3(8) . . ?
B6 B10 B8 60.9(9) . . ?
C2 B10 B1 59.1(7) . . ?
C3 B10 B1 106.9(10) . . ?
B6 B10 B1 59.5(9) . . ?
B8 B10 B1 109.1(11) . . ?
C2 B10 H10 123.6 . . ?
C3 B10 H10 123.3 . . ?
B6 B10 H10 123.0 . . ?
B8 B10 H10 121.5 . . ?
B1 B10 H10 121.5 . . ?
C20 Au2 P3 176.1(5) . . ?
N5 P3 N6 96.4(5) . . ?
N5 P3 C21 103.6(5) . . ?
N6 P3 C21 107.2(5) . . ?
N5 P3 Au2 116.8(4) . . ?
N6 P3 Au2 118.2(4) . . ?
C21 P3 Au2 112.6(4) . . ?
N7 P4 N8 94.1(7) . . ?
N7 P4 C22 101.0(5) . . ?
N8 P4 C22 101.8(6) . . ?
C25 N5 C23 120.0(9) . . ?
C25 N5 P3 124.9(7) . . ?
C23 N5 P3 112.3(8) . . ?
C24 N6 C28 119.0(10) . . ?
C24 N6 P3 109.1(8) . . ?
C28 N6 P3 121.8(9) . . ?
C36 N8 C32 117.8(13) . . ?
C36 N8 P4 121.8(11) . . ?
C32 N8 P4 113.9(11) . . ?
F4 C20 F5 99.4(17) . . ?
F5' C20 F6' 99.3(19) . . ?
F5' C20 F4' 105.4(19) . . ?
F6' C20 F4' 99.9(16) . . ?
F4 C20 F6 102.8(19) . . ?
F5 C20 F6 101.9(18) . . ?
F5' C20 Au2 116.1(16) . . ?
F4 C20 Au2 119.8(16) . . ?
F5 C20 Au2 113.5(16) . . ?
F6' C20 Au2 119.8(15) . . ?
F4' C20 Au2 113.9(16) . . ?
F6 C20 Au2 116.6(16) . . ?
C22 C21 B11 111.1(9) . . ?
C22 C21 B19 61.0(7) . . ?
B11 C21 B19 114.7(9) . . ?
C22 C21 B15 111.8(9) . . ?
B11 C21 B15 62.9(7) . . ?
B19 C21 B15 63.2(7) . . ?
C22 C21 B20 61.0(7) . . ?
B11 C21 B20 62.9(7) . . ?
B19 C21 B20 113.8(9) . . ?
B15 C21 B20 115.2(9) . . ?
C22 C21 P3 120.6(7) . . ?
B11 C21 P3 117.9(8) . . ?
B19 C21 P3 119.1(8) . . ?
B15 C21 P3 119.2(8) . . ?
B20 C21 P3 115.9(8) . . ?
C21 C22 B18 109.5(9) . . ?
C21 C22 B14 109.6(9) . . ?
B18 C22 B14 62.8(8) . . ?
C21 C22 B19 60.0(7) . . ?
B18 C22 B19 114.0(9) . . ?
B14 C22 B19 62.8(8) . . ?
C21 C22 B20 60.3(7) . . ?
B18 C22 B20 62.4(8) . . ?
B14 C22 B20 113.8(9) . . ?
B19 C22 B20 112.4(9) . . ?
C21 C22 P4 115.4(7) . . ?
B18 C22 P4 124.2(8) . . ?
B14 C22 P4 124.7(8) . . ?
B19 C22 P4 116.3(8) . . ?
B20 C22 P4 115.6(8) . . ?
N5 C23 C24 107.3(10) . . ?
N5 C23 H23A 110.3 . . ?
C24 C23 H23A 110.3 . . ?
N5 C23 H23B 110.3 . . ?
C24 C23 H23B 110.3 . . ?
H23A C23 H23B 108.5 . . ?
N6 C24 C23 108.6(10) . . ?
N6 C24 H24A 110.0 . . ?
C23 C24 H24A 110.0 . . ?
N6 C24 H24B 110.0 . . ?
C23 C24 H24B 110.0 . . ?
H24A C24 H24B 108.4 . . ?
N5 C25 C26 113.3(10) . . ?
N5 C25 C27 110.0(9) . . ?
C26 C25 C27 113.2(10) . . ?
N5 C25 H25 106.6 . . ?
C26 C25 H25 106.6 . . ?
C27 C25 H25 106.6 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N6 C28 C30 112.2(11) . . ?
N6 C28 C29 109.1(12) . . ?
C30 C28 C29 113.4(13) . . ?
N6 C28 H28 107.3 . . ?
C30 C28 H28 107.3 . . ?
C29 C28 H28 107.3 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N7 C31 C32 109.6(11) . . ?
N7 C31 H31A 109.7 . . ?
C32 C31 H31A 109.7 . . ?
N7 C31 H31B 109.7 . . ?
C32 C31 H31B 109.7 . . ?
H31A C31 H31B 108.2 . . ?
N8 C32 C31 106.3(11) . . ?
N8 C32 H32A 110.5 . . ?
C31 C32 H32A 110.5 . . ?
N8 C32 H32B 110.5 . . ?
C31 C32 H32B 110.5 . . ?
H32A C32 H32B 108.7 . . ?
C31 N7 C33 122.1(15) . . ?
C31 N7 C33' 119(2) . . ?
C31 N7 P4 110.9(9) . . ?
C33 N7 P4 125.9(14) . . ?
C33' N7 P4 120(2) . . ?
N7 C33 C34 111(2) . . ?
N7 C33 C35 114(2) . . ?
C34 C33 C35 112(2) . . ?
N7 C33 H33 106.5 . . ?
C34 C33 H33 106.5 . . ?
C35 C33 H33 106.5 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
N7 C33' C34' 110(3) . . ?
N7 C33' C35' 106(3) . . ?
C34' C33' C35' 114(3) . . ?
N7 C33' H33' 108.8 . . ?
C34' C33' H33' 108.8 . . ?
C35' C33' H33' 108.8 . . ?
C33' C34' H34D 109.5 . . ?
C33' C34' H34E 109.5 . . ?
H34D C34' H34E 109.5 . . ?
C33' C34' H34F 109.5 . . ?
H34D C34' H34F 109.5 . . ?
H34E C34' H34F 109.5 . . ?
C33' C35' H35D 109.5 . . ?
C33' C35' H35E 109.5 . . ?
H35D C35' H35E 109.5 . . ?
C33' C35' H35F 109.5 . . ?
H35D C35' H35F 109.5 . . ?
H35E C35' H35F 109.5 . . ?
N8 C36 C38 114.4(14) . . ?
N8 C36 C37 113.3(13) . . ?
C38 C36 C37 110.1(14) . . ?
N8 C36 H36 106.1 . . ?
C38 C36 H36 106.1 . . ?
C37 C36 H36 106.1 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C36 C38 H38A 109.5 . . ?
C36 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C36 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C21 B11 B16 105.3(9) . . ?
C21 B11 B12 105.8(9) . . ?
B16 B11 B12 60.3(8) . . ?
C21 B11 B15 58.7(7) . . ?
B16 B11 B15 108.9(10) . . ?
B12 B11 B15 60.9(7) . . ?
C21 B11 B20 58.9(7) . . ?
B16 B11 B20 60.1(7) . . ?
B12 B11 B20 108.8(10) . . ?
B15 B11 B20 108.5(9) . . ?
C21 B11 H11 124.4 . . ?
B16 B11 H11 122.0 . . ?
B12 B11 H11 121.5 . . ?
B15 B11 H11 121.0 . . ?
B20 B11 H11 121.2 . . ?
B11 B12 B16 59.5(8) . . ?
B11 B12 B13 106.6(10) . . ?
B16 B12 B13 59.7(8) . . ?
B11 B12 B15 59.7(7) . . ?
B16 B12 B15 107.3(10) . . ?
B13 B12 B15 106.6(10) . . ?
B11 B12 B17 106.3(10) . . ?
B16 B12 B17 106.6(11) . . ?
B13 B12 B17 59.0(8) . . ?
B15 B12 B17 59.3(8) . . ?
B11 B12 H12 122.6 . . ?
B16 B12 H12 122.2 . . ?
B13 B12 H12 122.6 . . ?
B15 B12 H12 122.2 . . ?
B17 B12 H12 122.9 . . ?
B14 B13 B18 61.2(9) . . ?
B14 B13 B16 109.3(10) . . ?
B18 B13 B16 60.4(8) . . ?
B14 B13 B17 59.9(9) . . ?
B18 B13 B17 108.8(11) . . ?
B16 B13 B17 108.1(10) . . ?
B14 B13 B12 109.6(10) . . ?
B18 B13 B12 109.1(10) . . ?
B16 B13 B12 59.7(8) . . ?
B17 B13 B12 60.9(8) . . ?
B14 B13 H13 120.6 . . ?
B18 B13 H13 120.8 . . ?
B16 B13 H13 121.7 . . ?
B17 B13 H13 121.6 . . ?
B12 B13 H13 120.9 . . ?
C22 B14 B13 104.8(10) . . ?
C22 B14 B17 105.3(10) . . ?
B13 B14 B17 60.8(9) . . ?
C22 B14 B18 58.6(8) . . ?
B13 B14 B18 59.5(8) . . ?
B17 B14 B18 108.2(11) . . ?
C22 B14 B19 58.8(7) . . ?
B13 B14 B19 107.8(10) . . ?
B17 B14 B19 59.7(8) . . ?
B18 B14 B19 107.4(10) . . ?
C22 B14 H14A 124.5 . . ?
B13 B14 H14A 122.3 . . ?
B17 B14 H14A 121.9 . . ?
B18 B14 H14A 121.9 . . ?
B19 B14 H14A 121.9 . . ?
C21 B15 B11 58.4(7) . . ?
C21 B15 B17 103.7(10) . . ?
B11 B15 B17 107.2(10) . . ?
C21 B15 B19 58.3(7) . . ?
B11 B15 B19 107.0(10) . . ?
B17 B15 B19 59.2(8) . . ?
C21 B15 B12 104.4(9) . . ?
B11 B15 B12 59.4(7) . . ?
B17 B15 B12 60.6(8) . . ?
B19 B15 B12 107.9(10) . . ?
C21 B15 H15 125.2 . . ?
B11 B15 H15 122.2 . . ?
B17 B15 H15 122.8 . . ?
B19 B15 H15 122.0 . . ?
B12 B15 H15 122.2 . . ?
B11 B16 B12 60.2(8) . . ?
B11 B16 B13 107.9(10) . . ?
B12 B16 B13 60.7(8) . . ?
B11 B16 B20 60.5(7) . . ?
B12 B16 B20 109.0(10) . . ?
B13 B16 B20 107.3(10) . . ?
B11 B16 B18 108.7(10) . . ?
B12 B16 B18 109.0(11) . . ?
B13 B16 B18 59.2(8) . . ?
B20 B16 B18 60.2(8) . . ?
B11 B16 H16 121.4 . . ?
B12 B16 H16 120.8 . . ?
B13 B16 H16 122.3 . . ?
B20 B16 H16 121.5 . . ?
B18 B16 H16 121.4 . . ?
B14 B17 B19 61.0(8) . . ?
B14 B17 B13 59.4(9) . . ?
B19 B17 B13 107.7(11) . . ?
B14 B17 B15 109.6(10) . . ?
B19 B17 B15 60.5(8) . . ?
B13 B17 B15 108.0(11) . . ?
B14 B17 B12 108.5(11) . . ?
B19 B17 B12 108.4(10) . . ?
B13 B17 B12 60.0(8) . . ?
B15 B17 B12 60.1(8) . . ?
B14 B17 H17A 121.0 . . ?
B19 B17 H17A 121.3 . . ?
B13 B17 H17A 122.4 . . ?
B15 B17 H17A 121.1 . . ?
B12 B17 H17A 121.6 . . ?
C22 B18 B13 104.7(10) . . ?
C22 B18 B16 105.3(10) . . ?
B13 B18 B16 60.4(8) . . ?
C22 B18 B20 59.2(7) . . ?
B13 B18 B20 107.9(10) . . ?
B16 B18 B20 59.9(8) . . ?
C22 B18 B14 58.7(7) . . ?
B13 B18 B14 59.3(8) . . ?
B16 B18 B14 107.7(11) . . ?
B20 B18 B14 107.8(10) . . ?
C22 B18 H18 124.4 . . ?
B13 B18 H18 122.5 . . ?
B16 B18 H18 122.1 . . ?
B20 B18 H18 121.4 . . ?
B14 B18 H18 122.0 . . ?
C21 B19 C22 59.1(7) . . ?
C21 B19 B17 104.7(10) . . ?
C22 B19 B17 104.8(10) . . ?
C21 B19 B15 58.4(7) . . ?
C22 B19 B15 106.4(10) . . ?
B17 B19 B15 60.3(8) . . ?
C21 B19 B14 105.5(10) . . ?
C22 B19 B14 58.4(8) . . ?
B17 B19 B14 59.3(8) . . ?
B15 B19 B14 108.1(10) . . ?
C21 B19 H19 123.9 . . ?
C22 B19 H19 123.5 . . ?
B17 B19 H19 123.4 . . ?
B15 B19 H19 121.6 . . ?
B14 B19 H19 122.4 . . ?
C21 B20 C22 58.8(7) . . ?
C21 B20 B16 104.0(9) . . ?
C22 B20 B16 104.8(9) . . ?
C21 B20 B18 105.3(9) . . ?
C22 B20 B18 58.4(7) . . ?
B16 B20 B18 59.9(8) . . ?
C21 B20 B11 58.2(7) . . ?
C22 B20 B11 105.6(9) . . ?
B16 B20 B11 59.3(8) . . ?
B18 B20 B11 107.5(10) . . ?
C21 B20 H20 124.2 . . ?
C22 B20 H20 123.7 . . ?
B16 B20 H20 123.5 . . ?
B18 B20 H20 122.2 . . ?
B11 B20 H20 122.4 . . ?

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
N2 P1 N1 C4 -1.7(9) . . . . ?
C2 P1 N1 C4 107.3(8) . . . . ?
Au1 P1 N1 C4 -130.2(7) . . . . ?
N2 P1 N1 C6 154.4(9) . . . . ?
C2 P1 N1 C6 -96.6(9) . . . . ?
Au1 P1 N1 C6 25.8(10) . . . . ?
N1 P1 N2 C5 20.1(8) . . . . ?
C2 P1 N2 C5 -86.5(8) . . . . ?
Au1 P1 N2 C5 148.4(6) . . . . ?
N1 P1 N2 C9 -118.2(9) . . . . ?
C2 P1 N2 C9 135.2(9) . . . . ?
Au1 P1 N2 C9 10.1(10) . . . . ?
N4 P2 N3 C14 149.1(11) . . . . ?
C3 P2 N3 C14 -105.9(11) . . . . ?
N4 P2 N3 C12 -1.9(10) . . . . ?
C3 P2 N3 C12 103.0(10) . . . . ?
N3 P2 N4 C17 -157.1(13) . . . . ?
C3 P2 N4 C17 102.2(13) . . . . ?
N3 P2 N4 C13 16.1(11) . . . . ?
C3 P2 N4 C13 -84.6(11) . . . . ?
N1 P1 C2 B5 46.9(9) . . . . ?
N2 P1 C2 B5 149.1(8) . . . . ?
Au1 P1 C2 B5 -80.8(8) . . . . ?
N1 P1 C2 C3 -174.0(8) . . . . ?
N2 P1 C2 C3 -71.7(9) . . . . ?
Au1 P1 C2 C3 58.3(8) . . . . ?
N1 P1 C2 B10 -101.2(9) . . . . ?
N2 P1 C2 B10 1.0(10) . . . . ?
Au1 P1 C2 B10 131.1(8) . . . . ?
N1 P1 C2 B9 117.4(8) . . . . ?
N2 P1 C2 B9 -140.4(8) . . . . ?
Au1 P1 C2 B9 -10.3(9) . . . . ?
N1 P1 C2 B1 -25.9(9) . . . . ?
N2 P1 C2 B1 76.3(9) . . . . ?
Au1 P1 C2 B1 -153.6(7) . . . . ?
B5 C2 C3 B4 -0.8(12) . . . . ?
B10 C2 C3 B4 105.9(11) . . . . ?
B9 C2 C3 B4 -38.9(9) . . . . ?
B1 C2 C3 B4 66.8(11) . . . . ?
P1 C2 C3 B4 -142.3(9) . . . . ?
B5 C2 C3 B8 -68.4(11) . . . . ?
B10 C2 C3 B8 38.3(9) . . . . ?
B9 C2 C3 B8 -106.5(10) . . . . ?
B1 C2 C3 B8 -0.8(12) . . . . ?
P1 C2 C3 B8 150.1(8) . . . . ?
B5 C2 C3 B9 38.1(9) . . . . ?
B10 C2 C3 B9 144.8(10) . . . . ?
B1 C2 C3 B9 105.7(10) . . . . ?
P1 C2 C3 B9 -103.3(9) . . . . ?
B5 C2 C3 B10 -106.7(10) . . . . ?
B9 C2 C3 B10 -144.8(10) . . . . ?
B1 C2 C3 B10 -39.1(9) . . . . ?
P1 C2 C3 B10 111.9(9) . . . . ?
B5 C2 C3 P2 147.7(8) . . . . ?
B10 C2 C3 P2 -105.6(9) . . . . ?
B9 C2 C3 P2 109.6(9) . . . . ?
B1 C2 C3 P2 -144.7(8) . . . . ?
P1 C2 C3 P2 6.3(11) . . . . ?
C6 N1 C4 C5 -173.3(10) . . . . ?
P1 N1 C4 C5 -16.5(12) . . . . ?
C9 N2 C5 C4 107.0(11) . . . . ?
P1 N2 C5 C4 -32.1(11) . . . . ?
N1 C4 C5 N2 30.6(13) . . . . ?
C4 N1 C6 C8 65.0(14) . . . . ?
P1 N1 C6 C8 -89.0(12) . . . . ?
C4 N1 C6 C7 -59.7(14) . . . . ?
P1 N1 C6 C7 146.3(9) . . . . ?
C5 N2 C9 C10 64.9(13) . . . . ?
P1 N2 C9 C10 -161.3(9) . . . . ?
C5 N2 C9 C11 -62.0(14) . . . . ?
P1 N2 C9 C11 71.8(12) . . . . ?
C14 N3 C12 C13 -164.0(12) . . . . ?
P2 N3 C12 C13 -12.2(15) . . . . ?
C17 N4 C13 C12 148.2(14) . . . . ?
P2 N4 C13 C12 -25.2(16) . . . . ?
N3 C12 C13 N4 22.3(16) . . . . ?
C12 N3 C14 C16 62.7(16) . . . . ?
P2 N3 C14 C16 -86.8(14) . . . . ?
C12 N3 C14 C15 -66.0(16) . . . . ?
P2 N3 C14 C15 144.5(11) . . . . ?
C13 N4 C17 C18 61(2) . . . . ?
P2 N4 C17 C18 -126.5(13) . . . . ?
C13 N4 C17 C19 -66.3(19) . . . . ?
P2 N4 C17 C19 106.4(15) . . . . ?
B5 C2 B1 B2 39.7(9) . . . . ?
C3 C2 B1 B2 -63.4(11) . . . . ?
B10 C2 B1 B2 -101.8(11) . . . . ?
B9 C2 B1 B2 2.5(12) . . . . ?
P1 C2 B1 B2 146.2(8) . . . . ?
B5 C2 B1 B6 102.3(10) . . . . ?
C3 C2 B1 B6 -0.7(11) . . . . ?
B10 C2 B1 B6 -39.2(9) . . . . ?
B9 C2 B1 B6 65.1(11) . . . . ?
P1 C2 B1 B6 -151.2(8) . . . . ?
C3 C2 B1 B5 -103.1(9) . . . . ?
B10 C2 B1 B5 -141.5(10) . . . . ?
B9 C2 B1 B5 -37.2(9) . . . . ?
P1 C2 B1 B5 106.5(9) . . . . ?
B5 C2 B1 B10 141.5(10) . . . . ?
C3 C2 B1 B10 38.4(9) . . . . ?
B9 C2 B1 B10 104.3(11) . . . . ?
P1 C2 B1 B10 -112.0(10) . . . . ?
C2 B1 B2 B5 -38.8(9) . . . . ?
B6 B1 B2 B5 -137.1(11) . . . . ?
B10 B1 B2 B5 -99.4(10) . . . . ?
C2 B1 B2 B7 -1.0(13) . . . . ?
B6 B1 B2 B7 -99.3(12) . . . . ?
B5 B1 B2 B7 37.8(10) . . . . ?
B10 B1 B2 B7 -61.6(12) . . . . ?
C2 B1 B2 B6 98.3(10) . . . . ?
B5 B1 B2 B6 137.1(11) . . . . ?
B10 B1 B2 B6 37.8(10) . . . . ?
C2 B1 B2 B3 61.8(12) . . . . ?
B6 B1 B2 B3 -36.6(10) . . . . ?
B5 B1 B2 B3 100.6(11) . . . . ?
B10 B1 B2 B3 1.2(13) . . . . ?
B1 B2 B3 B7 -101.5(11) . . . . ?
B5 B2 B3 B7 -37.2(10) . . . . ?
B6 B2 B3 B7 -137.9(11) . . . . ?
B1 B2 B3 B4 -63.4(13) . . . . ?
B5 B2 B3 B4 1.0(14) . . . . ?
B7 B2 B3 B4 38.1(10) . . . . ?
B6 B2 B3 B4 -99.7(11) . . . . ?
B1 B2 B3 B6 36.3(9) . . . . ?
B5 B2 B3 B6 100.7(11) . . . . ?
B7 B2 B3 B6 137.9(11) . . . . ?
B1 B2 B3 B8 -0.5(14) . . . . ?
B5 B2 B3 B8 63.9(13) . . . . ?
B7 B2 B3 B8 101.0(12) . . . . ?
B6 B2 B3 B8 -36.9(10) . . . . ?
C2 C3 B4 B9 38.1(9) . . . . ?
B8 C3 B4 B9 140.3(11) . . . . ?
B10 C3 B4 B9 102.4(11) . . . . ?
P2 C3 B4 B9 -106.1(10) . . . . ?
C2 C3 B4 B7 -1.4(13) . . . . ?
B8 C3 B4 B7 100.9(12) . . . . ?
B9 C3 B4 B7 -39.5(9) . . . . ?
B10 C3 B4 B7 63.0(13) . . . . ?
P2 C3 B4 B7 -145.6(9) . . . . ?
C2 C3 B4 B8 -102.2(11) . . . . ?
B9 C3 B4 B8 -140.3(11) . . . . ?
B10 C3 B4 B8 -37.9(10) . . . . ?
P2 C3 B4 B8 113.5(11) . . . . ?
C2 C3 B4 B3 -62.6(12) . . . . ?
B8 C3 B4 B3 39.6(10) . . . . ?
B9 C3 B4 B3 -100.7(11) . . . . ?
B10 C3 B4 B3 1.7(13) . . . . ?
P2 C3 B4 B3 153.1(9) . . . . ?
B7 B3 B4 C3 99.4(11) . . . . ?
B2 B3 B4 C3 61.4(13) . . . . ?
B6 B3 B4 C3 -1.0(14) . . . . ?
B8 B3 B4 C3 -38.8(10) . . . . ?
B7 B3 B4 B9 37.1(10) . . . . ?
B2 B3 B4 B9 -0.9(14) . . . . ?
B6 B3 B4 B9 -63.3(14) . . . . ?
B8 B3 B4 B9 -101.1(11) . . . . ?
B2 B3 B4 B7 -37.9(10) . . . . ?
B6 B3 B4 B7 -100.4(13) . . . . ?
B8 B3 B4 B7 -138.2(11) . . . . ?
B7 B3 B4 B8 138.2(11) . . . . ?
B2 B3 B4 B8 100.3(11) . . . . ?
B6 B3 B4 B8 37.8(11) . . . . ?
C3 C2 B5 B2 64.7(11) . . . . ?
B10 C2 B5 B2 -2.3(12) . . . . ?
B9 C2 B5 B2 101.8(10) . . . . ?
B1 C2 B5 B2 -39.6(9) . . . . ?
P1 C2 B5 B2 -152.7(8) . . . . ?
C3 C2 B5 B9 -37.2(9) . . . . ?
B10 C2 B5 B9 -104.1(11) . . . . ?
B1 C2 B5 B9 -141.4(10) . . . . ?
P1 C2 B5 B9 105.4(9) . . . . ?
C3 C2 B5 B1 104.3(9) . . . . ?
B10 C2 B5 B1 37.3(10) . . . . ?
B9 C2 B5 B1 141.4(10) . . . . ?
P1 C2 B5 B1 -113.2(9) . . . . ?
C3 C2 B5 B7 2.6(12) . . . . ?
B10 C2 B5 B7 -64.3(12) . . . . ?
B9 C2 B5 B7 39.8(9) . . . . ?
B1 C2 B5 B7 -101.6(10) . . . . ?
P1 C2 B5 B7 145.2(8) . . . . ?
B1 B2 B5 C2 39.6(9) . . . . ?
B7 B2 B5 C2 -98.9(10) . . . . ?
B6 B2 B5 C2 1.4(13) . . . . ?
B3 B2 B5 C2 -62.6(11) . . . . ?
B1 B2 B5 B9 101.4(10) . . . . ?
B7 B2 B5 B9 -37.1(10) . . . . ?
B6 B2 B5 B9 63.2(13) . . . . ?
B3 B2 B5 B9 -0.7(13) . . . . ?
B7 B2 B5 B1 -138.5(11) . . . . ?
B6 B2 B5 B1 -38.2(10) . . . . ?
B3 B2 B5 B1 -102.1(11) . . . . ?
B1 B2 B5 B7 138.5(11) . . . . ?
B6 B2 B5 B7 100.3(12) . . . . ?
B3 B2 B5 B7 36.4(10) . . . . ?
B2 B1 B5 C2 -134.4(10) . . . . ?
B6 B1 B5 C2 -96.0(10) . . . . ?
B10 B1 B5 C2 -33.5(9) . . . . ?
C2 B1 B5 B2 134.4(10) . . . . ?
B6 B1 B5 B2 38.4(10) . . . . ?
B10 B1 B5 B2 100.9(11) . . . . ?
C2 B1 B5 B9 34.3(8) . . . . ?
B2 B1 B5 B9 -100.0(11) . . . . ?
B6 B1 B5 B9 -61.6(12) . . . . ?
B10 B1 B5 B9 0.9(12) . . . . ?
C2 B1 B5 B7 97.5(10) . . . . ?
B2 B1 B5 B7 -36.9(10) . . . . ?
B6 B1 B5 B7 1.6(12) . . . . ?
B10 B1 B5 B7 64.1(12) . . . . ?
C2 B1 B6 B10 38.5(9) . . . . ?
B2 B1 B6 B10 137.3(11) . . . . ?
B5 B1 B6 B10 99.1(10) . . . . ?
C2 B1 B6 B2 -98.8(10) . . . . ?
B5 B1 B6 B2 -38.2(9) . . . . ?
B10 B1 B6 B2 -137.3(11) . . . . ?
C2 B1 B6 B3 -62.4(12) . . . . ?
B2 B1 B6 B3 36.4(10) . . . . ?
B5 B1 B6 B3 -1.8(13) . . . . ?
B10 B1 B6 B3 -100.9(12) . . . . ?
C2 B1 B6 B8 2.0(13) . . . . ?
B2 B1 B6 B8 100.7(12) . . . . ?
B5 B1 B6 B8 62.5(12) . . . . ?
B10 B1 B6 B8 -36.6(10) . . . . ?
B1 B2 B6 B10 -38.7(10) . . . . ?
B5 B2 B6 B10 -0.1(15) . . . . ?
B7 B2 B6 B10 64.0(14) . . . . ?
B3 B2 B6 B10 101.0(13) . . . . ?
B5 B2 B6 B1 38.5(10) . . . . ?
B7 B2 B6 B1 102.7(11) . . . . ?
B3 B2 B6 B1 139.7(11) . . . . ?
B1 B2 B6 B3 -139.7(11) . . . . ?
B5 B2 B6 B3 -101.1(11) . . . . ?
B7 B2 B6 B3 -37.0(10) . . . . ?
B1 B2 B6 B8 -102.3(11) . . . . ?
B5 B2 B6 B8 -63.7(13) . . . . ?
B7 B2 B6 B8 0.4(14) . . . . ?
B3 B2 B6 B8 37.4(10) . . . . ?
B7 B3 B6 B10 -63.5(14) . . . . ?
B2 B3 B6 B10 -100.9(12) . . . . ?
B4 B3 B6 B10 0.0(15) . . . . ?
B8 B3 B6 B10 37.7(10) . . . . ?
B7 B3 B6 B1 1.3(14) . . . . ?
B2 B3 B6 B1 -36.1(10) . . . . ?
B4 B3 B6 B1 64.8(14) . . . . ?
B8 B3 B6 B1 102.5(11) . . . . ?
B7 B3 B6 B2 37.4(10) . . . . ?
B4 B3 B6 B2 100.9(12) . . . . ?
B8 B3 B6 B2 138.6(11) . . . . ?
B7 B3 B6 B8 -101.2(12) . . . . ?
B2 B3 B6 B8 -138.6(11) . . . . ?
B4 B3 B6 B8 -37.7(10) . . . . ?
B4 B3 B7 B2 -137.4(11) . . . . ?
B6 B3 B7 B2 -37.1(10) . . . . ?
B8 B3 B7 B2 -100.2(12) . . . . ?
B2 B3 B7 B9 100.3(11) . . . . ?
B4 B3 B7 B9 -37.1(10) . . . . ?
B6 B3 B7 B9 63.2(14) . . . . ?
B8 B3 B7 B9 0.1(15) . . . . ?
B2 B3 B7 B4 137.4(11) . . . . ?
B6 B3 B7 B4 100.3(11) . . . . ?
B8 B3 B7 B4 37.2(10) . . . . ?
B2 B3 B7 B5 36.8(10) . . . . ?
B4 B3 B7 B5 -100.6(11) . . . . ?
B6 B3 B7 B5 -0.3(14) . . . . ?
B8 B3 B7 B5 -63.4(14) . . . . ?
B1 B2 B7 B3 101.1(11) . . . . ?
B5 B2 B7 B3 138.9(11) . . . . ?
B6 B2 B7 B3 37.7(10) . . . . ?
B1 B2 B7 B9 -0.7(14) . . . . ?
B5 B2 B7 B9 37.0(10) . . . . ?
B6 B2 B7 B9 -64.1(13) . . . . ?
B3 B2 B7 B9 -101.8(12) . . . . ?
B1 B2 B7 B4 62.3(13) . . . . ?
B5 B2 B7 B4 100.0(11) . . . . ?
B6 B2 B7 B4 -1.2(14) . . . . ?
B3 B2 B7 B4 -38.8(10) . . . . ?
B1 B2 B7 B5 -37.8(10) . . . . ?
B6 B2 B7 B5 -101.2(11) . . . . ?
B3 B2 B7 B5 -138.9(11) . . . . ?
C3 B4 B7 B3 -99.2(12) . . . . ?
B9 B4 B7 B3 -138.3(11) . . . . ?
B8 B4 B7 B3 -37.4(10) . . . . ?
C3 B4 B7 B2 -60.2(13) . . . . ?
B9 B4 B7 B2 -99.4(11) . . . . ?
B8 B4 B7 B2 1.5(14) . . . . ?
B3 B4 B7 B2 38.9(10) . . . . ?
C3 B4 B7 B9 39.2(9) . . . . ?
B8 B4 B7 B9 100.9(10) . . . . ?
B3 B4 B7 B9 138.3(11) . . . . ?
C3 B4 B7 B5 2.9(14) . . . . ?
B9 B4 B7 B5 -36.2(10) . . . . ?
B8 B4 B7 B5 64.7(12) . . . . ?
B3 B4 B7 B5 102.1(12) . . . . ?
C2 B5 B7 B3 61.3(12) . . . . ?
B2 B5 B7 B3 -37.5(10) . . . . ?
B9 B5 B7 B3 100.8(12) . . . . ?
B1 B5 B7 B3 -0.8(14) . . . . ?
C2 B5 B7 B2 98.9(10) . . . . ?
B9 B5 B7 B2 138.3(11) . . . . ?
B1 B5 B7 B2 36.8(9) . . . . ?
C2 B5 B7 B9 -39.5(9) . . . . ?
B2 B5 B7 B9 -138.3(11) . . . . ?
B1 B5 B7 B9 -101.6(10) . . . . ?
C2 B5 B7 B4 -3.4(13) . . . . ?
B2 B5 B7 B4 -102.3(12) . . . . ?
B9 B5 B7 B4 36.1(10) . . . . ?
B1 B5 B7 B4 -65.5(12) . . . . ?
B4 C3 B8 B10 -140.2(11) . . . . ?
C2 C3 B8 B10 -37.2(9) . . . . ?
B9 C3 B8 B10 -102.3(11) . . . . ?
P2 C3 B8 B10 102.9(10) . . . . ?
C2 C3 B8 B4 103.1(10) . . . . ?
B9 C3 B8 B4 38.0(10) . . . . ?
B10 C3 B8 B4 140.2(11) . . . . ?
P2 C3 B8 B4 -116.9(11) . . . . ?
B4 C3 B8 B6 -101.1(12) . . . . ?
C2 C3 B8 B6 2.0(12) . . . . ?
B9 C3 B8 B6 -63.1(12) . . . . ?
B10 C3 B8 B6 39.1(10) . . . . ?
P2 C3 B8 B6 142.0(9) . . . . ?
B4 C3 B8 B3 -39.0(10) . . . . ?
C2 C3 B8 B3 64.0(12) . . . . ?
B9 C3 B8 B3 -1.1(14) . . . . ?
B10 C3 B8 B3 101.2(12) . . . . ?
P2 C3 B8 B3 -155.9(9) . . . . ?
B9 B4 B8 C3 -35.3(9) . . . . ?
B7 B4 B8 C3 -98.6(11) . . . . ?
B3 B4 B8 C3 -135.2(11) . . . . ?
C3 B4 B8 B10 35.3(10) . . . . ?
B9 B4 B8 B10 0.0(14) . . . . ?
B7 B4 B8 B10 -63.3(13) . . . . ?
B3 B4 B8 B10 -99.9(12) . . . . ?
C3 B4 B8 B6 97.4(11) . . . . ?
B9 B4 B8 B6 62.1(13) . . . . ?
B7 B4 B8 B6 -1.2(13) . . . . ?
B3 B4 B8 B6 -37.8(10) . . . . ?
C3 B4 B8 B3 135.2(11) . . . . ?
B9 B4 B8 B3 100.0(12) . . . . ?
B7 B4 B8 B3 36.6(10) . . . . ?
B10 B6 B8 C3 -39.5(9) . . . . ?
B1 B6 B8 C3 -2.4(13) . . . . ?
B2 B6 B8 C3 61.0(12) . . . . ?
B3 B6 B8 C3 98.4(11) . . . . ?
B1 B6 B8 B10 37.0(10) . . . . ?
B2 B6 B8 B10 100.5(11) . . . . ?
B3 B6 B8 B10 137.9(11) . . . . ?
B10 B6 B8 B4 -100.0(11) . . . . ?
B1 B6 B8 B4 -63.0(12) . . . . ?
B2 B6 B8 B4 0.5(13) . . . . ?
B3 B6 B8 B4 37.9(10) . . . . ?
B10 B6 B8 B3 -137.9(11) . . . . ?
B1 B6 B8 B3 -100.8(12) . . . . ?
B2 B6 B8 B3 -37.3(10) . . . . ?
B7 B3 B8 C3 0.6(15) . . . . ?
B2 B3 B8 C3 -62.6(13) . . . . ?
B4 B3 B8 C3 38.1(10) . . . . ?
B6 B3 B8 C3 -99.2(11) . . . . ?
B7 B3 B8 B10 62.8(14) . . . . ?
B2 B3 B8 B10 -0.4(14) . . . . ?
B4 B3 B8 B10 100.3(11) . . . . ?
B6 B3 B8 B10 -37.0(10) . . . . ?
B7 B3 B8 B4 -37.5(11) . . . . ?
B2 B3 B8 B4 -100.7(11) . . . . ?
B6 B3 B8 B4 -137.3(11) . . . . ?
B7 B3 B8 B6 99.8(13) . . . . ?
B2 B3 B8 B6 36.6(10) . . . . ?
B4 B3 B8 B6 137.3(11) . . . . ?
B5 C2 B9 C3 -139.5(9) . . . . ?
B10 C2 B9 C3 -33.2(9) . . . . ?
B1 C2 B9 C3 -102.3(10) . . . . ?
P1 C2 B9 C3 111.6(9) . . . . ?
B5 C2 B9 B4 -103.1(10) . . . . ?
C3 C2 B9 B4 36.4(9) . . . . ?
B10 C2 B9 B4 3.1(13) . . . . ?
B1 C2 B9 B4 -66.0(12) . . . . ?
P1 C2 B9 B4 147.9(8) . . . . ?
C3 C2 B9 B5 139.5(9) . . . . ?
B10 C2 B9 B5 106.2(10) . . . . ?
B1 C2 B9 B5 37.1(9) . . . . ?
P1 C2 B9 B5 -109.0(9) . . . . ?
B5 C2 B9 B7 -40.1(9) . . . . ?
C3 C2 B9 B7 99.4(10) . . . . ?
B10 C2 B9 B7 66.2(12) . . . . ?
B1 C2 B9 B7 -2.9(13) . . . . ?
P1 C2 B9 B7 -149.1(9) . . . . ?
B4 C3 B9 C2 138.0(10) . . . . ?
B8 C3 B9 C2 99.7(11) . . . . ?
B10 C3 B9 C2 32.1(9) . . . . ?
P2 C3 B9 C2 -104.0(8) . . . . ?
C2 C3 B9 B4 -138.0(10) . . . . ?
B8 C3 B9 B4 -38.4(11) . . . . ?
B10 C3 B9 B4 -105.9(11) . . . . ?
P2 C3 B9 B4 117.9(10) . . . . ?
B4 C3 B9 B5 102.7(11) . . . . ?
C2 C3 B9 B5 -35.3(8) . . . . ?
B8 C3 B9 B5 64.3(12) . . . . ?
B10 C3 B9 B5 -3.2(12) . . . . ?
P2 C3 B9 B5 -139.4(8) . . . . ?
B4 C3 B9 B7 39.5(10) . . . . ?
C2 C3 B9 B7 -98.5(10) . . . . ?
B8 C3 B9 B7 1.1(13) . . . . ?
B10 C3 B9 B7 -66.4(11) . . . . ?
P2 C3 B9 B7 157.4(8) . . . . ?
C3 B4 B9 C2 -36.9(9) . . . . ?
B7 B4 B9 C2 98.3(10) . . . . ?
B8 B4 B9 C2 -1.8(13) . . . . ?
B3 B4 B9 C2 61.9(12) . . . . ?
B7 B4 B9 C3 135.2(11) . . . . ?
B8 B4 B9 C3 35.0(10) . . . . ?
B3 B4 B9 C3 98.8(11) . . . . ?
C3 B4 B9 B5 -98.4(10) . . . . ?
B7 B4 B9 B5 36.8(10) . . . . ?
B8 B4 B9 B5 -63.3(13) . . . . ?
B3 B4 B9 B5 0.4(13) . . . . ?
C3 B4 B9 B7 -135.2(11) . . . . ?
B8 B4 B9 B7 -100.2(12) . . . . ?
B3 B4 B9 B7 -36.4(10) . . . . ?
B2 B5 B9 C2 -97.3(10) . . . . ?
B1 B5 B9 C2 -34.5(8) . . . . ?
B7 B5 B9 C2 -134.4(10) . . . . ?
C2 B5 B9 C3 35.8(8) . . . . ?
B2 B5 B9 C3 -61.5(11) . . . . ?
B1 B5 B9 C3 1.4(12) . . . . ?
B7 B5 B9 C3 -98.5(10) . . . . ?
C2 B5 B9 B4 97.5(10) . . . . ?
B2 B5 B9 B4 0.2(13) . . . . ?
B1 B5 B9 B4 63.0(12) . . . . ?
B7 B5 B9 B4 -36.8(10) . . . . ?
C2 B5 B9 B7 134.4(10) . . . . ?
B2 B5 B9 B7 37.0(10) . . . . ?
B1 B5 B9 B7 99.9(11) . . . . ?
B3 B7 B9 C2 -62.6(13) . . . . ?
B2 B7 B9 C2 2.1(13) . . . . ?
B4 B7 B9 C2 -100.4(11) . . . . ?
B5 B7 B9 C2 39.0(9) . . . . ?
B3 B7 B9 C3 -0.7(14) . . . . ?
B2 B7 B9 C3 64.0(12) . . . . ?
B4 B7 B9 C3 -38.5(9) . . . . ?
B5 B7 B9 C3 100.9(10) . . . . ?
B3 B7 B9 B4 37.8(11) . . . . ?
B2 B7 B9 B4 102.5(12) . . . . ?
B5 B7 B9 B4 139.4(11) . . . . ?
B3 B7 B9 B5 -101.6(12) . . . . ?
B2 B7 B9 B5 -36.9(10) . . . . ?
B4 B7 B9 B5 -139.4(11) . . . . ?
B5 C2 B10 C3 101.6(10) . . . . ?
B9 C2 B10 C3 32.8(9) . . . . ?
B1 C2 B10 C3 138.8(9) . . . . ?
P1 C2 B10 C3 -109.3(9) . . . . ?
B5 C2 B10 B6 2.2(13) . . . . ?
C3 C2 B10 B6 -99.5(11) . . . . ?
B9 C2 B10 B6 -66.6(12) . . . . ?
B1 C2 B10 B6 39.4(10) . . . . ?
P1 C2 B10 B6 151.2(9) . . . . ?
B5 C2 B10 B8 65.7(12) . . . . ?
C3 C2 B10 B8 -35.9(9) . . . . ?
B9 C2 B10 B8 -3.1(13) . . . . ?
B1 C2 B10 B8 102.9(11) . . . . ?
P1 C2 B10 B8 -145.3(9) . . . . ?
B5 C2 B10 B1 -37.2(9) . . . . ?
C3 C2 B10 B1 -138.8(9) . . . . ?
B9 C2 B10 B1 -106.0(10) . . . . ?
P1 C2 B10 B1 111.9(10) . . . . ?
B4 C3 B10 C2 -100.1(10) . . . . ?
B8 C3 B10 C2 -138.5(10) . . . . ?
B9 C3 B10 C2 -32.4(9) . . . . ?
P2 C3 B10 C2 105.2(8) . . . . ?
B4 C3 B10 B6 -1.8(13) . . . . ?
C2 C3 B10 B6 98.4(11) . . . . ?
B8 C3 B10 B6 -40.2(10) . . . . ?
B9 C3 B10 B6 66.0(12) . . . . ?
P2 C3 B10 B6 -156.4(9) . . . . ?
B4 C3 B10 B8 38.4(10) . . . . ?
C2 C3 B10 B8 138.5(10) . . . . ?
B9 C3 B10 B8 106.1(10) . . . . ?
P2 C3 B10 B8 -116.2(10) . . . . ?
B4 C3 B10 B1 -63.9(12) . . . . ?
C2 C3 B10 B1 36.2(8) . . . . ?
B8 C3 B10 B1 -102.3(11) . . . . ?
B9 C3 B10 B1 3.8(12) . . . . ?
P2 C3 B10 B1 141.4(8) . . . . ?
B1 B6 B10 C2 -39.2(9) . . . . ?
B2 B6 B10 C2 -1.2(14) . . . . ?
B3 B6 B10 C2 62.6(13) . . . . ?
B8 B6 B10 C2 100.5(11) . . . . ?
B1 B6 B10 C3 -100.7(10) . . . . ?
B2 B6 B10 C3 -62.7(14) . . . . ?
B3 B6 B10 C3 1.0(14) . . . . ?
B8 B6 B10 C3 38.9(10) . . . . ?
B1 B6 B10 B8 -139.6(11) . . . . ?
B2 B6 B10 B8 -101.6(13) . . . . ?
B3 B6 B10 B8 -37.9(11) . . . . ?
B2 B6 B10 B1 38.0(10) . . . . ?
B3 B6 B10 B1 101.8(12) . . . . ?
B8 B6 B10 B1 139.6(11) . . . . ?
C3 B8 B10 C2 36.3(9) . . . . ?
B4 B8 B10 C2 1.8(14) . . . . ?
B6 B8 B10 C2 -98.4(11) . . . . ?
B3 B8 B10 C2 -61.1(13) . . . . ?
B4 B8 B10 C3 -34.5(10) . . . . ?
B6 B8 B10 C3 -134.7(11) . . . . ?
B3 B8 B10 C3 -97.4(11) . . . . ?
C3 B8 B10 B6 134.7(11) . . . . ?
B4 B8 B10 B6 100.2(12) . . . . ?
B3 B8 B10 B6 37.3(10) . . . . ?
C3 B8 B10 B1 98.5(10) . . . . ?
B4 B8 B10 B1 64.0(13) . . . . ?
B6 B8 B10 B1 -36.2(10) . . . . ?
B3 B8 B10 B1 1.1(14) . . . . ?
B2 B1 B10 C2 96.4(10) . . . . ?
B6 B1 B10 C2 134.7(11) . . . . ?
B5 B1 B10 C2 33.5(8) . . . . ?
C2 B1 B10 C3 -36.2(8) . . . . ?
B2 B1 B10 C3 60.2(11) . . . . ?
B6 B1 B10 C3 98.4(11) . . . . ?
B5 B1 B10 C3 -2.8(12) . . . . ?
C2 B1 B10 B6 -134.7(11) . . . . ?
B2 B1 B10 B6 -38.3(10) . . . . ?
B5 B1 B10 B6 -101.2(11) . . . . ?
C2 B1 B10 B8 -97.8(11) . . . . ?
B2 B1 B10 B8 -1.4(13) . . . . ?
B6 B1 B10 B8 36.8(10) . . . . ?
B5 B1 B10 B8 -64.4(12) . . . . ?
N6 P3 N5 C25 155.7(9) . . . . ?
C21 P3 N5 C25 -94.8(9) . . . . ?
Au2 P3 N5 C25 29.6(10) . . . . ?
N6 P3 N5 C23 -5.1(9) . . . . ?
C21 P3 N5 C23 104.4(8) . . . . ?
Au2 P3 N5 C23 -131.2(7) . . . . ?
N5 P3 N6 C24 18.7(10) . . . . ?
C21 P3 N6 C24 -87.7(10) . . . . ?
Au2 P3 N6 C24 143.9(8) . . . . ?
N5 P3 N6 C28 -126.3(10) . . . . ?
C21 P3 N6 C28 127.2(9) . . . . ?
Au2 P3 N6 C28 -1.2(11) . . . . ?
N7 P4 N8 C36 -148.4(12) . . . . ?
C22 P4 N8 C36 109.4(12) . . . . ?
N7 P4 N8 C32 2.8(11) . . . . ?
C22 P4 N8 C32 -99.4(11) . . . . ?
N5 P3 C21 C22 -170.4(8) . . . . ?
N6 P3 C21 C22 -69.1(9) . . . . ?
Au2 P3 C21 C22 62.5(8) . . . . ?
N5 P3 C21 B11 47.8(9) . . . . ?
N6 P3 C21 B11 149.1(8) . . . . ?
Au2 P3 C21 B11 -79.3(8) . . . . ?
N5 P3 C21 B19 -98.8(9) . . . . ?
N6 P3 C21 B19 2.5(10) . . . . ?
Au2 P3 C21 B19 134.1(8) . . . . ?
N5 P3 C21 B15 -25.0(9) . . . . ?
N6 P3 C21 B15 76.3(9) . . . . ?
Au2 P3 C21 B15 -152.2(7) . . . . ?
N5 P3 C21 B20 119.4(8) . . . . ?
N6 P3 C21 B20 -139.3(8) . . . . ?
Au2 P3 C21 B20 -7.7(9) . . . . ?
B11 C21 C22 B18 -0.3(12) . . . . ?
B19 C21 C22 B18 107.0(10) . . . . ?
B15 C21 C22 B18 67.9(11) . . . . ?
B20 C21 C22 B18 -39.7(9) . . . . ?
P3 C21 C22 B18 -144.4(8) . . . . ?
B11 C21 C22 B14 -67.4(11) . . . . ?
B19 C21 C22 B14 39.9(9) . . . . ?
B15 C21 C22 B14 0.8(12) . . . . ?
B20 C21 C22 B14 -106.8(10) . . . . ?
P3 C21 C22 B14 148.5(8) . . . . ?
B11 C21 C22 B19 -107.3(10) . . . . ?
B15 C21 C22 B19 -39.1(9) . . . . ?
B20 C21 C22 B19 -146.7(10) . . . . ?
P3 C21 C22 B19 108.6(9) . . . . ?
B11 C21 C22 B20 39.4(9) . . . . ?
B19 C21 C22 B20 146.7(10) . . . . ?
B15 C21 C22 B20 107.6(10) . . . . ?
P3 C21 C22 B20 -104.7(9) . . . . ?
B11 C21 C22 P4 145.7(8) . . . . ?
B19 C21 C22 P4 -107.0(9) . . . . ?
B15 C21 C22 P4 -146.1(8) . . . . ?
B20 C21 C22 P4 106.2(9) . . . . ?
P3 C21 C22 P4 1.6(11) . . . . ?
C25 N5 C23 C24 -171.7(10) . . . . ?
P3 N5 C23 C24 -9.8(12) . . . . ?
C28 N6 C24 C23 119.5(12) . . . . ?
P3 N6 C24 C23 -26.7(13) . . . . ?
N5 C23 C24 N6 22.7(14) . . . . ?
C23 N5 C25 C26 69.8(14) . . . . ?
P3 N5 C25 C26 -89.7(12) . . . . ?
C23 N5 C25 C27 -58.0(13) . . . . ?
P3 N5 C25 C27 142.6(9) . . . . ?
C24 N6 C28 C30 -64.7(16) . . . . ?
P3 N6 C28 C30 77.0(14) . . . . ?
C24 N6 C28 C29 61.8(14) . . . . ?
P3 N6 C28 C29 -156.4(9) . . . . ?
C36 N8 C32 C31 162.7(13) . . . . ?
P4 N8 C32 C31 10.2(15) . . . . ?
N7 C31 C32 N8 -21.1(17) . . . . ?
C32 C31 N7 C33 -144.4(17) . . . . ?
C32 C31 N7 C33' -120(2) . . . . ?
C32 C31 N7 P4 24.1(15) . . . . ?
N8 P4 N7 C31 -15.7(11) . . . . ?
C22 P4 N7 C31 87.1(11) . . . . ?
N8 P4 N7 C33 152.3(17) . . . . ?
C22 P4 N7 C33 -104.8(17) . . . . ?
N8 P4 N7 C33' 128(2) . . . . ?
C22 P4 N7 C33' -129(2) . . . . ?
C31 N7 C33 C34 -59(3) . . . . ?
P4 N7 C33 C34 134.3(19) . . . . ?
C31 N7 C33 C35 68(3) . . . . ?
P4 N7 C33 C35 -98(2) . . . . ?
C31 N7 C33' C34' -71(4) . . . . ?
P4 N7 C33' C34' 147(3) . . . . ?
C31 N7 C33' C35' 53(3) . . . . ?
P4 N7 C33' C35' -89(3) . . . . ?
C32 N8 C36 C38 60.0(18) . . . . ?
P4 N8 C36 C38 -149.9(12) . . . . ?
C32 N8 C36 C37 -67.4(19) . . . . ?
P4 N8 C36 C37 82.8(17) . . . . ?
C22 C21 B11 B16 1.3(12) . . . . ?
B19 C21 B11 B16 -65.4(12) . . . . ?
B15 C21 B11 B16 -103.1(10) . . . . ?
B20 C21 B11 B16 39.9(9) . . . . ?
P3 C21 B11 B16 146.5(8) . . . . ?
C22 C21 B11 B12 64.2(11) . . . . ?
B19 C21 B11 B12 -2.5(13) . . . . ?
B15 C21 B11 B12 -40.2(9) . . . . ?
B20 C21 B11 B12 102.8(10) . . . . ?
P3 C21 B11 B12 -150.6(8) . . . . ?
C22 C21 B11 B15 104.4(9) . . . . ?
B19 C21 B11 B15 37.7(10) . . . . ?
B20 C21 B11 B15 143.0(10) . . . . ?
P3 C21 B11 B15 -110.4(9) . . . . ?
C22 C21 B11 B20 -38.6(8) . . . . ?
B19 C21 B11 B20 -105.3(11) . . . . ?
B15 C21 B11 B20 -143.0(10) . . . . ?
P3 C21 B11 B20 106.6(9) . . . . ?
C21 B11 B12 B16 -98.8(10) . . . . ?
B15 B11 B12 B16 -138.0(10) . . . . ?
B20 B11 B12 B16 -36.9(9) . . . . ?
C21 B11 B12 B13 -60.7(12) . . . . ?
B16 B11 B12 B13 38.1(9) . . . . ?
B15 B11 B12 B13 -99.8(10) . . . . ?
B20 B11 B12 B13 1.3(13) . . . . ?
C21 B11 B12 B15 39.2(9) . . . . ?
B16 B11 B12 B15 138.0(10) . . . . ?
B20 B11 B12 B15 101.1(10) . . . . ?
C21 B11 B12 B17 1.2(13) . . . . ?
B16 B11 B12 B17 100.0(11) . . . . ?
B15 B11 B12 B17 -38.0(9) . . . . ?
B20 B11 B12 B17 63.1(12) . . . . ?
B11 B12 B13 B14 63.4(12) . . . . ?
B16 B12 B13 B14 101.4(11) . . . . ?
B15 B12 B13 B14 0.8(13) . . . . ?
B17 B12 B13 B14 -36.1(10) . . . . ?
B11 B12 B13 B18 -2.0(13) . . . . ?
B16 B12 B13 B18 36.1(10) . . . . ?
B15 B12 B13 B18 -64.6(12) . . . . ?
B17 B12 B13 B18 -101.4(12) . . . . ?
B11 B12 B13 B16 -38.1(9) . . . . ?
B15 B12 B13 B16 -100.6(10) . . . . ?
B17 B12 B13 B16 -137.5(11) . . . . ?
B11 B12 B13 B17 99.4(10) . . . . ?
B16 B12 B13 B17 137.5(11) . . . . ?
B15 B12 B13 B17 36.9(9) . . . . ?
C21 C22 B14 B13 63.4(12) . . . . ?
B18 C22 B14 B13 -39.1(10) . . . . ?
B19 C22 B14 B13 102.1(11) . . . . ?
B20 C22 B14 B13 -1.8(13) . . . . ?
P4 C22 B14 B13 -153.4(9) . . . . ?
C21 C22 B14 B17 0.3(13) . . . . ?
B18 C22 B14 B17 -102.2(11) . . . . ?
B19 C22 B14 B17 38.9(10) . . . . ?
B20 C22 B14 B17 -65.0(12) . . . . ?
P4 C22 B14 B17 143.4(9) . . . . ?
C21 C22 B14 B18 102.5(10) . . . . ?
B19 C22 B14 B18 141.2(10) . . . . ?
B20 C22 B14 B18 37.2(10) . . . . ?
P4 C22 B14 B18 -114.3(11) . . . . ?
C21 C22 B14 B19 -38.7(9) . . . . ?
B18 C22 B14 B19 -141.2(10) . . . . ?
B20 C22 B14 B19 -103.9(10) . . . . ?
P4 C22 B14 B19 104.5(10) . . . . ?
B18 B13 B14 C22 38.6(9) . . . . ?
B16 B13 B14 C22 0.7(14) . . . . ?
B17 B13 B14 C22 -99.5(11) . . . . ?
B12 B13 B14 C22 -63.0(13) . . . . ?
B18 B13 B14 B17 138.1(11) . . . . ?
B16 B13 B14 B17 100.2(12) . . . . ?
B12 B13 B14 B17 36.5(10) . . . . ?
B16 B13 B14 B18 -37.9(10) . . . . ?
B17 B13 B14 B18 -138.1(11) . . . . ?
B12 B13 B14 B18 -101.6(11) . . . . ?
B18 B13 B14 B19 100.0(11) . . . . ?
B16 B13 B14 B19 62.1(13) . . . . ?
B17 B13 B14 B19 -38.1(10) . . . . ?
B12 B13 B14 B19 -1.5(14) . . . . ?
C22 C21 B15 B11 -103.4(10) . . . . ?
B19 C21 B15 B11 -141.5(10) . . . . ?
B20 C21 B15 B11 -36.3(9) . . . . ?
P3 C21 B15 B11 108.4(9) . . . . ?
C22 C21 B15 B17 -1.5(12) . . . . ?
B11 C21 B15 B17 101.9(10) . . . . ?
B19 C21 B15 B17 -39.6(9) . . . . ?
B20 C21 B15 B17 65.6(12) . . . . ?
P3 C21 B15 B17 -149.7(8) . . . . ?
C22 C21 B15 B19 38.2(9) . . . . ?
B11 C21 B15 B19 141.5(10) . . . . ?
B20 C21 B15 B19 105.2(11) . . . . ?
P3 C21 B15 B19 -110.1(9) . . . . ?
C22 C21 B15 B12 -64.2(11) . . . . ?
B11 C21 B15 B12 39.2(9) . . . . ?
B19 C21 B15 B12 -102.3(10) . . . . ?
B20 C21 B15 B12 2.9(12) . . . . ?
P3 C21 B15 B12 147.6(8) . . . . ?
B16 B11 B15 C21 96.8(10) . . . . ?
B12 B11 B15 C21 134.7(10) . . . . ?
B20 B11 B15 C21 32.9(8) . . . . ?
C21 B11 B15 B17 -95.8(10) . . . . ?
B16 B11 B15 B17 0.9(12) . . . . ?
B12 B11 B15 B17 38.8(9) . . . . ?
B20 B11 B15 B17 -62.9(12) . . . . ?
C21 B11 B15 B19 -33.6(9) . . . . ?
B16 B11 B15 B19 63.2(11) . . . . ?
B12 B11 B15 B19 101.1(10) . . . . ?
B20 B11 B15 B19 -0.7(12) . . . . ?
C21 B11 B15 B12 -134.7(10) . . . . ?
B16 B11 B15 B12 -37.9(9) . . . . ?
B20 B11 B15 B12 -101.8(11) . . . . ?
B11 B12 B15 C21 -38.7(8) . . . . ?
B16 B12 B15 C21 -1.5(12) . . . . ?
B13 B12 B15 C21 61.1(11) . . . . ?
B17 B12 B15 C21 97.9(10) . . . . ?
B16 B12 B15 B11 37.2(9) . . . . ?
B13 B12 B15 B11 99.8(10) . . . . ?
B17 B12 B15 B11 136.6(10) . . . . ?
B11 B12 B15 B17 -136.6(10) . . . . ?
B16 B12 B15 B17 -99.4(11) . . . . ?
B13 B12 B15 B17 -36.8(9) . . . . ?
B11 B12 B15 B19 -99.5(10) . . . . ?
B16 B12 B15 B19 -62.4(12) . . . . ?
B13 B12 B15 B19 0.3(12) . . . . ?
B17 B12 B15 B19 37.1(9) . . . . ?
C21 B11 B16 B12 99.8(10) . . . . ?
B15 B11 B16 B12 38.2(9) . . . . ?
B20 B11 B16 B12 139.1(10) . . . . ?
C21 B11 B16 B13 60.8(12) . . . . ?
B12 B11 B16 B13 -38.9(9) . . . . ?
B15 B11 B16 B13 -0.8(13) . . . . ?
B20 B11 B16 B13 100.2(11) . . . . ?
C21 B11 B16 B20 -39.3(8) . . . . ?
B12 B11 B16 B20 -139.1(10) . . . . ?
B15 B11 B16 B20 -100.9(10) . . . . ?
C21 B11 B16 B18 -1.9(13) . . . . ?
B12 B11 B16 B18 -101.6(11) . . . . ?
B15 B11 B16 B18 -63.5(12) . . . . ?
B20 B11 B16 B18 37.5(9) . . . . ?
B13 B12 B16 B11 -136.7(10) . . . . ?
B15 B12 B16 B11 -37.2(9) . . . . ?
B17 B12 B16 B11 -99.5(10) . . . . ?
B11 B12 B16 B13 136.7(10) . . . . ?
B15 B12 B16 B13 99.5(11) . . . . ?
B17 B12 B16 B13 37.2(10) . . . . ?
B11 B12 B16 B20 37.1(9) . . . . ?
B13 B12 B16 B20 -99.6(11) . . . . ?
B15 B12 B16 B20 -0.2(13) . . . . ?
B17 B12 B16 B20 -62.4(12) . . . . ?
B11 B12 B16 B18 101.2(10) . . . . ?
B13 B12 B16 B18 -35.5(9) . . . . ?
B15 B12 B16 B18 63.9(12) . . . . ?
B17 B12 B16 B18 1.7(13) . . . . ?
B14 B13 B16 B11 -63.3(13) . . . . ?
B18 B13 B16 B11 -101.6(11) . . . . ?
B17 B13 B16 B11 0.3(14) . . . . ?
B12 B13 B16 B11 38.7(9) . . . . ?
B14 B13 B16 B12 -102.0(11) . . . . ?
B18 B13 B16 B12 -140.2(11) . . . . ?
B17 B13 B16 B12 -38.4(10) . . . . ?
B14 B13 B16 B20 0.6(14) . . . . ?
B18 B13 B16 B20 -37.7(9) . . . . ?
B17 B13 B16 B20 64.1(13) . . . . ?
B12 B13 B16 B20 102.5(11) . . . . ?
B14 B13 B16 B18 38.3(10) . . . . ?
B17 B13 B16 B18 101.8(12) . . . . ?
B12 B13 B16 B18 140.2(11) . . . . ?
C22 B14 B17 B19 -38.5(9) . . . . ?
B13 B14 B17 B19 -137.1(10) . . . . ?
B18 B14 B17 B19 -99.9(10) . . . . ?
C22 B14 B17 B13 98.6(11) . . . . ?
B18 B14 B17 B13 37.2(9) . . . . ?
B19 B14 B17 B13 137.1(10) . . . . ?
C22 B14 B17 B15 -1.2(14) . . . . ?
B13 B14 B17 B15 -99.8(11) . . . . ?
B18 B14 B17 B15 -62.6(12) . . . . ?
B19 B14 B17 B15 37.3(10) . . . . ?
C22 B14 B17 B12 62.8(12) . . . . ?
B13 B14 B17 B12 -35.9(9) . . . . ?
B18 B14 B17 B12 1.4(13) . . . . ?
B19 B14 B17 B12 101.3(11) . . . . ?
B18 B13 B17 B14 -38.2(10) . . . . ?
B16 B13 B17 B14 -102.3(11) . . . . ?
B12 B13 B17 B14 -140.1(10) . . . . ?
B14 B13 B17 B19 38.7(9) . . . . ?
B18 B13 B17 B19 0.5(14) . . . . ?
B16 B13 B17 B19 -63.6(13) . . . . ?
B12 B13 B17 B19 -101.4(11) . . . . ?
B14 B13 B17 B15 102.6(11) . . . . ?
B18 B13 B17 B15 64.4(13) . . . . ?
B16 B13 B17 B15 0.3(14) . . . . ?
B12 B13 B17 B15 -37.5(9) . . . . ?
B14 B13 B17 B12 140.1(10) . . . . ?
B18 B13 B17 B12 101.9(11) . . . . ?
B16 B13 B17 B12 37.8(10) . . . . ?
C21 B15 B17 B14 1.6(13) . . . . ?
B11 B15 B17 B14 62.3(12) . . . . ?
B19 B15 B17 B14 -37.6(10) . . . . ?
B12 B15 B17 B14 100.6(12) . . . . ?
C21 B15 B17 B19 39.2(9) . . . . ?
B11 B15 B17 B19 99.9(10) . . . . ?
B12 B15 B17 B19 138.1(11) . . . . ?
C21 B15 B17 B13 -61.4(12) . . . . ?
B11 B15 B17 B13 -0.7(13) . . . . ?
B19 B15 B17 B13 -100.6(11) . . . . ?
B12 B15 B17 B13 37.5(10) . . . . ?
C21 B15 B17 B12 -99.0(10) . . . . ?
B11 B15 B17 B12 -38.3(9) . . . . ?
B19 B15 B17 B12 -138.1(11) . . . . ?
B11 B12 B17 B14 -64.2(12) . . . . ?
B16 B12 B17 B14 -1.9(13) . . . . ?
B13 B12 B17 B14 35.6(9) . . . . ?
B15 B12 B17 B14 -102.4(11) . . . . ?
B11 B12 B17 B19 0.5(14) . . . . ?
B16 B12 B17 B19 62.8(13) . . . . ?
B13 B12 B17 B19 100.3(11) . . . . ?
B15 B12 B17 B19 -37.8(10) . . . . ?
B11 B12 B17 B13 -99.8(11) . . . . ?
B16 B12 B17 B13 -37.5(9) . . . . ?
B15 B12 B17 B13 -138.0(10) . . . . ?
B11 B12 B17 B15 38.2(9) . . . . ?
B16 B12 B17 B15 100.5(10) . . . . ?
B13 B12 B17 B15 138.0(10) . . . . ?
C21 C22 B18 B13 -63.6(11) . . . . ?
B14 C22 B18 B13 38.9(9) . . . . ?
B19 C22 B18 B13 1.3(13) . . . . ?
B20 C22 B18 B13 -102.4(10) . . . . ?
P4 C22 B18 B13 154.0(8) . . . . ?
C21 C22 B18 B16 -0.9(12) . . . . ?
B14 C22 B18 B16 101.7(11) . . . . ?
B19 C22 B18 B16 64.1(12) . . . . ?
B20 C22 B18 B16 -39.7(9) . . . . ?
P4 C22 B18 B16 -143.2(9) . . . . ?
C21 C22 B18 B20 38.8(9) . . . . ?
B14 C22 B18 B20 141.3(10) . . . . ?
B19 C22 B18 B20 103.7(10) . . . . ?
P4 C22 B18 B20 -103.6(10) . . . . ?
C21 C22 B18 B14 -102.5(10) . . . . ?
B19 C22 B18 B14 -37.6(10) . . . . ?
B20 C22 B18 B14 -141.3(10) . . . . ?
P4 C22 B18 B14 115.1(11) . . . . ?
B14 B13 B18 C22 -38.6(9) . . . . ?
B16 B13 B18 C22 99.5(10) . . . . ?
B17 B13 B18 C22 -1.1(13) . . . . ?
B12 B13 B18 C22 63.8(12) . . . . ?
B14 B13 B18 B16 -138.2(10) . . . . ?
B17 B13 B18 B16 -100.6(11) . . . . ?
B12 B13 B18 B16 -35.7(10) . . . . ?
B14 B13 B18 B20 -100.5(10) . . . . ?
B16 B13 B18 B20 37.7(10) . . . . ?
B17 B13 B18 B20 -62.9(13) . . . . ?
B12 B13 B18 B20 2.0(14) . . . . ?
B16 B13 B18 B14 138.2(10) . . . . ?
B17 B13 B18 B14 37.6(10) . . . . ?
B12 B13 B18 B14 102.4(11) . . . . ?
B11 B16 B18 C22 1.7(13) . . . . ?
B12 B16 B18 C22 -62.3(12) . . . . ?
B13 B16 B18 C22 -98.4(11) . . . . ?
B20 B16 B18 C22 39.3(9) . . . . ?
B11 B16 B18 B13 100.1(11) . . . . ?
B12 B16 B18 B13 36.1(10) . . . . ?
B20 B16 B18 B13 137.7(11) . . . . ?
B11 B16 B18 B20 -37.6(9) . . . . ?
B12 B16 B18 B20 -101.6(11) . . . . ?
B13 B16 B18 B20 -137.7(11) . . . . ?
B11 B16 B18 B14 63.1(12) . . . . ?
B12 B16 B18 B14 -0.9(13) . . . . ?
B13 B16 B18 B14 -37.0(9) . . . . ?
B20 B16 B18 B14 100.7(10) . . . . ?
B13 B14 B18 C22 135.0(10) . . . . ?
B17 B14 B18 C22 97.2(11) . . . . ?
B19 B14 B18 C22 34.2(9) . . . . ?
C22 B14 B18 B13 -135.0(10) . . . . ?
B17 B14 B18 B13 -37.8(9) . . . . ?
B19 B14 B18 B13 -100.8(11) . . . . ?
C22 B14 B18 B16 -97.5(10) . . . . ?
B13 B14 B18 B16 37.5(9) . . . . ?
B17 B14 B18 B16 -0.3(13) . . . . ?
B19 B14 B18 B16 -63.3(12) . . . . ?
C22 B14 B18 B20 -34.3(9) . . . . ?
B13 B14 B18 B20 100.7(11) . . . . ?
B17 B14 B18 B20 62.9(12) . . . . ?
B19 B14 B18 B20 -0.1(13) . . . . ?
B11 C21 B19 C22 101.4(10) . . . . ?
B15 C21 B19 C22 139.0(9) . . . . ?
B20 C21 B19 C22 31.6(9) . . . . ?
P3 C21 B19 C22 -110.9(9) . . . . ?
C22 C21 B19 B17 -98.6(10) . . . . ?
B11 C21 B19 B17 2.8(13) . . . . ?
B15 C21 B19 B17 40.4(9) . . . . ?
B20 C21 B19 B17 -67.0(12) . . . . ?
P3 C21 B19 B17 150.4(9) . . . . ?
C22 C21 B19 B15 -139.0(9) . . . . ?
B11 C21 B19 B15 -37.6(10) . . . . ?
B20 C21 B19 B15 -107.4(10) . . . . ?
P3 C21 B19 B15 110.1(9) . . . . ?
C22 C21 B19 B14 -37.0(8) . . . . ?
B11 C21 B19 B14 64.5(12) . . . . ?
B15 C21 B19 B14 102.0(10) . . . . ?
B20 C21 B19 B14 -5.4(12) . . . . ?
P3 C21 B19 B14 -147.9(8) . . . . ?
B18 C22 B19 C21 -99.5(10) . . . . ?
B14 C22 B19 C21 -137.2(10) . . . . ?
B20 C22 B19 C21 -31.0(9) . . . . ?
P4 C22 B19 C21 105.5(8) . . . . ?
C21 C22 B19 B17 98.5(10) . . . . ?
B18 C22 B19 B17 -1.0(13) . . . . ?
B14 C22 B19 B17 -38.7(10) . . . . ?
B20 C22 B19 B17 67.5(11) . . . . ?
P4 C22 B19 B17 -156.0(8) . . . . ?
C21 C22 B19 B15 35.7(8) . . . . ?
B18 C22 B19 B15 -63.9(12) . . . . ?
B14 C22 B19 B15 -101.5(11) . . . . ?
B20 C22 B19 B15 4.7(12) . . . . ?
P4 C22 B19 B15 141.2(8) . . . . ?
C21 C22 B19 B14 137.2(10) . . . . ?
B18 C22 B19 B14 37.6(10) . . . . ?
B20 C22 B19 B14 106.2(10) . . . . ?
P4 C22 B19 B14 -117.3(9) . . . . ?
B14 B17 B19 C21 99.5(11) . . . . ?
B13 B17 B19 C21 61.6(12) . . . . ?
B15 B17 B19 C21 -39.4(9) . . . . ?
B12 B17 B19 C21 -1.9(13) . . . . ?
B14 B17 B19 C22 38.2(9) . . . . ?
B13 B17 B19 C22 0.3(13) . . . . ?
B15 B17 B19 C22 -100.7(10) . . . . ?
B12 B17 B19 C22 -63.2(12) . . . . ?
B14 B17 B19 B15 139.0(11) . . . . ?
B13 B17 B19 B15 101.0(11) . . . . ?
B12 B17 B19 B15 37.6(10) . . . . ?
B13 B17 B19 B14 -37.9(10) . . . . ?
B15 B17 B19 B14 -139.0(11) . . . . ?
B12 B17 B19 B14 -101.4(12) . . . . ?
B11 B15 B19 C21 33.6(9) . . . . ?
B17 B15 B19 C21 133.9(11) . . . . ?
B12 B15 B19 C21 96.2(10) . . . . ?
C21 B15 B19 C22 -35.9(8) . . . . ?
B11 B15 B19 C22 -2.3(12) . . . . ?
B17 B15 B19 C22 97.9(11) . . . . ?
B12 B15 B19 C22 60.2(11) . . . . ?
C21 B15 B19 B17 -133.9(11) . . . . ?
B11 B15 B19 B17 -100.2(11) . . . . ?
B12 B15 B19 B17 -37.7(10) . . . . ?
C21 B15 B19 B14 -97.4(11) . . . . ?
B11 B15 B19 B14 -63.8(12) . . . . ?
B17 B15 B19 B14 36.5(10) . . . . ?
B12 B15 B19 B14 -1.2(13) . . . . ?
C22 B14 B19 C21 37.2(8) . . . . ?
B13 B14 B19 C21 -59.6(12) . . . . ?
B17 B14 B19 C21 -98.1(10) . . . . ?
B18 B14 B19 C21 3.1(12) . . . . ?
B13 B14 B19 C22 -96.8(11) . . . . ?
B17 B14 B19 C22 -135.4(11) . . . . ?
B18 B14 B19 C22 -34.1(9) . . . . ?
C22 B14 B19 B17 135.4(11) . . . . ?
B13 B14 B19 B17 38.6(10) . . . . ?
B18 B14 B19 B17 101.3(11) . . . . ?
C22 B14 B19 B15 98.5(10) . . . . ?
B13 B14 B19 B15 1.7(13) . . . . ?
B17 B14 B19 B15 -36.9(10) . . . . ?
B18 B14 B19 B15 64.4(12) . . . . ?
B11 C21 B20 C22 -138.3(9) . . . . ?
B19 C21 B20 C22 -31.6(9) . . . . ?
B15 C21 B20 C22 -102.0(10) . . . . ?
P3 C21 B20 C22 112.2(8) . . . . ?
C22 C21 B20 B16 99.0(9) . . . . ?
B11 C21 B20 B16 -39.3(9) . . . . ?
B19 C21 B20 B16 67.4(11) . . . . ?
B15 C21 B20 B16 -3.0(12) . . . . ?
P3 C21 B20 B16 -148.8(8) . . . . ?
C22 C21 B20 B18 36.9(8) . . . . ?
B11 C21 B20 B18 -101.4(10) . . . . ?
B19 C21 B20 B18 5.3(13) . . . . ?
B15 C21 B20 B18 -65.1(12) . . . . ?
P3 C21 B20 B18 149.1(8) . . . . ?
C22 C21 B20 B11 138.3(9) . . . . ?
B19 C21 B20 B11 106.7(10) . . . . ?
B15 C21 B20 B11 36.3(9) . . . . ?
P3 C21 B20 B11 -109.6(9) . . . . ?
B18 C22 B20 C21 137.2(10) . . . . ?
B14 C22 B20 C21 99.8(10) . . . . ?
B19 C22 B20 C21 30.9(9) . . . . ?
P4 C22 B20 C21 -105.9(8) . . . . ?
C21 C22 B20 B16 -97.6(9) . . . . ?
B18 C22 B20 B16 39.5(9) . . . . ?
B14 C22 B20 B16 2.2(13) . . . . ?
B19 C22 B20 B16 -66.8(11) . . . . ?
P4 C22 B20 B16 156.4(8) . . . . ?
C21 C22 B20 B18 -137.2(10) . . . . ?
B14 C22 B20 B18 -37.4(10) . . . . ?
B19 C22 B20 B18 -106.3(10) . . . . ?
P4 C22 B20 B18 116.9(9) . . . . ?
C21 C22 B20 B11 -35.9(8) . . . . ?
B18 C22 B20 B11 101.2(10) . . . . ?
B14 C22 B20 B11 63.9(12) . . . . ?
B19 C22 B20 B11 -5.1(12) . . . . ?
P4 C22 B20 B11 -141.9(8) . . . . ?
B11 B16 B20 C21 38.7(8) . . . . ?
B12 B16 B20 C21 1.8(12) . . . . ?
B13 B16 B20 C21 -62.4(11) . . . . ?
B18 B16 B20 C21 -99.7(10) . . . . ?
B11 B16 B20 C22 99.6(9) . . . . ?
B12 B16 B20 C22 62.6(11) . . . . ?
B13 B16 B20 C22 -1.6(12) . . . . ?
B18 B16 B20 C22 -38.8(9) . . . . ?
B11 B16 B20 B18 138.4(10) . . . . ?
B12 B16 B20 B18 101.5(11) . . . . ?
B13 B16 B20 B18 37.3(10) . . . . ?
B12 B16 B20 B11 -36.9(9) . . . . ?
B13 B16 B20 B11 -101.1(11) . . . . ?
B18 B16 B20 B11 -138.4(10) . . . . ?
C22 B18 B20 C21 -37.0(8) . . . . ?
B13 B18 B20 C21 59.7(12) . . . . ?
B16 B18 B20 C21 97.6(10) . . . . ?
B14 B18 B20 C21 -2.9(12) . . . . ?
B13 B18 B20 C22 96.7(11) . . . . ?
B16 B18 B20 C22 134.6(10) . . . . ?
B14 B18 B20 C22 34.1(9) . . . . ?
C22 B18 B20 B16 -134.6(10) . . . . ?
B13 B18 B20 B16 -37.9(10) . . . . ?
B14 B18 B20 B16 -100.5(11) . . . . ?
C22 B18 B20 B11 -97.9(10) . . . . ?
B13 B18 B20 B11 -1.2(13) . . . . ?
B16 B18 B20 B11 36.8(9) . . . . ?
B14 B18 B20 B11 -63.8(12) . . . . ?
B16 B11 B20 C21 -134.4(10) . . . . ?
B12 B11 B20 C21 -97.5(10) . . . . ?
B15 B11 B20 C21 -32.8(8) . . . . ?
C21 B11 B20 C22 36.2(8) . . . . ?
B16 B11 B20 C22 -98.2(10) . . . . ?
B12 B11 B20 C22 -61.3(11) . . . . ?
B15 B11 B20 C22 3.4(12) . . . . ?
C21 B11 B20 B16 134.4(10) . . . . ?
B12 B11 B20 B16 36.9(9) . . . . ?
B15 B11 B20 B16 101.6(10) . . . . ?
C21 B11 B20 B18 97.4(10) . . . . ?
B16 B11 B20 B18 -37.0(9) . . . . ?
B12 B11 B20 B18 -0.1(12) . . . . ?
B15 B11 B20 B18 64.6(11) . . . . ?

_refine_diff_density_max         0.954
_refine_diff_density_min         -1.158
_refine_diff_density_rms         0.159


# start Validation Reply Form
_vrf_PLAT910_DV658_b             
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         11 Note  
RESPONSE: Theta min = 3.05 deg. The theta value of missing reflections is 
below 2.93 deg. These reflections are therefore excluded.
;
####################################################################### 
# 
# 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_DV825
_database_code_depnum_ccdc_archive 'CCDC 2492890'
loop_
_audit_author_name
_audit_author_address
'Sonia Mallet-Ladeira'
;Institut de Chimie de Toulouse CNRS
France
;
_audit_update_record             
;
2025-10-02 deposited with the CCDC.	2025-10-23 downloaded from the CCDC.
;


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

_chemical_formula_moiety         'C31 H24 Au F3 P2'
_chemical_formula_sum            'C31 H24 Au F3 P2'
_chemical_formula_weight         712.41

#----------------------------------------------------------------------------#
#                   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                   15.0808(10)
_cell_length_b                   18.4456(10)
_cell_length_c                   19.4861(12)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5420.5(6)
_cell_formula_units_Z            8
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9719
_cell_measurement_theta_min      3.42
_cell_measurement_theta_max      32.56

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

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_crystal_density_diffrn    1.746
_exptl_crystal_F_000             2768

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

_exptl_absorpt_coefficient_mu    5.586
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.5770
_exptl_absorpt_correction_T_max  0.7464

#----------------------------------------------------------------------------#
#                   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  0.0407
_diffrn_reflns_av_unetI/netI     0.0165
_diffrn_reflns_number            166657
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         3.1
_diffrn_reflns_theta_max         32.631
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_point_group_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.983
_reflns_Friedel_coverage         0
_reflns_number_total             9756
_reflns_number_gt                8138
_reflns_threshold_expression     'I > 2σ(I)'

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

_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-2019/3 (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
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap

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

_shelx_SHELXL_version_number     2019/3
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0196P)²+3.8321P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         9756
_refine_ls_number_parameters     334
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0294
_refine_ls_R_factor_gt           0.0205
_refine_ls_wR_factor_ref         0.0509
_refine_ls_wR_factor_gt          0.0473
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.041
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0
_refine_diff_density_max         0.661
_refine_diff_density_min         -0.59
_refine_diff_density_rms         0.066

#----------------------------------------------------------------------------#
#                   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'
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'

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 0.38227(2) 0.68815(2) 1.06751(2) 0.03008(2) Uani 1 1 d . . . . .
C1 C 0.50552(11) 0.82948(9) 0.98438(8) 0.0265(3) Uani 1 1 d . . . . .
C2 C 0.48148(11) 0.77650(9) 0.93514(8) 0.0265(3) Uani 1 1 d . . . . .
C3 C 0.52839(13) 0.77245(11) 0.87347(9) 0.0356(4) Uani 1 1 d . . . . .
H3 H 0.512315 0.737054 0.840315 0.043 Uiso 1 1 calc R U . . .
C4 C 0.59834(14) 0.81952(12) 0.85989(11) 0.0411(4) Uani 1 1 d . . . . .
H4 H 0.629696 0.816165 0.817726 0.049 Uiso 1 1 calc R U . . .
C5 C 0.62211(13) 0.87119(12) 0.90793(11) 0.0382(4) Uani 1 1 d . . . . .
H5 H 0.669763 0.903456 0.898782 0.046 Uiso 1 1 calc R U . . .
C6 C 0.57624(12) 0.87583(10) 0.96948(10) 0.0328(3) Uani 1 1 d . . . . .
H6 H 0.593301 0.911322 1.002247 0.039 Uiso 1 1 calc R U . . .
C7 C 0.35337(12) 0.88937(10) 1.05347(9) 0.0313(3) Uani 1 1 d . . . . .
C8 C 0.34234(13) 0.93362(10) 0.99648(10) 0.0359(4) Uani 1 1 d . . . . .
H8 H 0.386736 0.934597 0.96191 0.043 Uiso 1 1 calc R U . . .
C9 C 0.26721(14) 0.97649(12) 0.98940(12) 0.0426(4) Uani 1 1 d . . . . .
H9 H 0.25997 1.006226 0.949996 0.051 Uiso 1 1 calc R U . . .
C10 C 0.20296(15) 0.97564(14) 1.04006(13) 0.0514(6) Uani 1 1 d . . . . .
H10 H 0.15218 1.005807 1.035931 0.062 Uiso 1 1 calc R U . . .
C11 C 0.21227(16) 0.93123(16) 1.09652(12) 0.0562(6) Uani 1 1 d . . . . .
H11 H 0.167523 0.930454 1.130831 0.067 Uiso 1 1 calc R U . . .
C12 C 0.28668(14) 0.88771(14) 1.10342(10) 0.0440(5) Uani 1 1 d . . . . .
H12 H 0.292426 0.856709 1.142095 0.053 Uiso 1 1 calc R U . . .
C13 C 0.52100(13) 0.88559(10) 1.12271(9) 0.0335(4) Uani 1 1 d . . . . .
C14 C 0.51821(14) 0.96113(11) 1.12564(10) 0.0382(4) Uani 1 1 d . . . . .
H14 H 0.477676 0.986981 1.097459 0.046 Uiso 1 1 calc R U . . .
C15 C 0.57438(17) 0.99880(13) 1.16953(11) 0.0501(6) Uani 1 1 d . . . . .
H15 H 0.572484 1.050256 1.170935 0.06 Uiso 1 1 calc R U . . .
C16 C 0.63281(18) 0.96169(18) 1.21102(14) 0.0622(7) Uani 1 1 d . . . . .
H16 H 0.671625 0.987554 1.240602 0.075 Uiso 1 1 calc R U . . .
C17 C 0.63489(19) 0.88726(19) 1.20956(15) 0.0689(8) Uani 1 1 d . . . . .
H17 H 0.674771 0.861882 1.23866 0.083 Uiso 1 1 calc R U . . .
C18 C 0.57928(18) 0.84869(14) 1.16597(13) 0.0532(6) Uani 1 1 d . . . . .
H18 H 0.580944 0.797203 1.165628 0.064 Uiso 1 1 calc R U . . .
C19 C 0.29242(11) 0.76509(9) 0.92383(8) 0.0272(3) Uani 1 1 d . . . . .
C20 C 0.29357(13) 0.80539(10) 0.86298(9) 0.0342(4) Uani 1 1 d . . . . .
H20 H 0.345304 0.805885 0.835166 0.041 Uiso 1 1 calc R U . . .
C21 C 0.21937(14) 0.84462(11) 0.84318(10) 0.0393(4) Uani 1 1 d . . . . .
H21 H 0.220042 0.871283 0.801472 0.047 Uiso 1 1 calc R U . . .
C22 C 0.14407(14) 0.84495(11) 0.88428(12) 0.0404(4) Uani 1 1 d . . . . .
H22 H 0.093041 0.871491 0.870632 0.048 Uiso 1 1 calc R U . . .
C23 C 0.14383(14) 0.80647(11) 0.94511(12) 0.0404(4) Uani 1 1 d . . . . .
H23 H 0.092858 0.807705 0.97373 0.048 Uiso 1 1 calc R U . . .
C24 C 0.21669(12) 0.76624(10) 0.96486(9) 0.0327(3) Uani 1 1 d . . . . .
H24 H 0.215218 0.739326 1.006415 0.039 Uiso 1 1 calc R U . . .
C25 C 0.40537(12) 0.63838(10) 0.89548(8) 0.0290(3) Uani 1 1 d . . . . .
C26 C 0.36856(17) 0.63388(13) 0.83035(11) 0.0495(6) Uani 1 1 d . . . . .
H26 H 0.332506 0.672192 0.813531 0.059 Uiso 1 1 calc R U . . .
C27 C 0.38452(18) 0.57302(14) 0.78952(11) 0.0557(6) Uani 1 1 d . . . . .
H27 H 0.358686 0.569998 0.745151 0.067 Uiso 1 1 calc R U . . .
C28 C 0.43699(15) 0.51771(11) 0.81278(11) 0.0416(4) Uani 1 1 d . . . . .
H28 H 0.447352 0.476506 0.784649 0.05 Uiso 1 1 calc R U . . .
C29 C 0.47476(15) 0.52183(11) 0.87704(12) 0.0436(5) Uani 1 1 d . . . . .
H29 H 0.511865 0.483757 0.89297 0.052 Uiso 1 1 calc R U . . .
C30 C 0.45863(14) 0.58161(11) 0.91856(10) 0.0388(4) Uani 1 1 d . . . . .
H30 H 0.484131 0.583837 0.963091 0.047 Uiso 1 1 calc R U . . .
C31 C 0.36696(14) 0.65818(12) 1.16858(9) 0.0376(4) Uani 1 1 d . . . . .
F1 F 0.32423(15) 0.71024(10) 1.20552(8) 0.0827(6) Uani 1 1 d . . . . .
F2 F 0.44031(11) 0.64437(13) 1.20431(8) 0.0859(6) Uani 1 1 d . . . . .
F3 F 0.31353(14) 0.60036(10) 1.18282(8) 0.0797(5) Uani 1 1 d . . . . .
P1 P 0.44936(3) 0.83072(3) 1.06805(2) 0.02978(9) Uani 1 1 d . . . . .
P2 P 0.38903(3) 0.71495(3) 0.95274(2) 0.02593(8) Uani 1 1 d . . . . .



#----------------------------------------------------------------------------#
#                   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
Au1 C31 2.0586(18) . ?
Au1 P2 2.2926(4) . ?
Au1 P1 2.8177(5) . ?
C1 C6 1.397(2) . ?
C1 C2 1.417(2) . ?
C1 P1 1.8375(17) . ?
C2 C3 1.396(2) . ?
C2 P2 1.8303(17) . ?
C3 C4 1.392(3) . ?
C3 H3 0.95 . ?
C4 C5 1.383(3) . ?
C4 H4 0.95 . ?
C5 C6 1.387(3) . ?
C5 H5 0.95 . ?
C6 H6 0.95 . ?
C7 C8 1.388(3) . ?
C7 C12 1.400(3) . ?
C7 P1 1.829(2) . ?
C8 C9 1.389(3) . ?
C8 H8 0.95 . ?
C9 C10 1.383(3) . ?
C9 H9 0.95 . ?
C10 C11 1.379(4) . ?
C10 H10 0.95 . ?
C11 C12 1.386(3) . ?
C11 H11 0.95 . ?
C12 H12 0.95 . ?
C13 C18 1.395(3) . ?
C13 C14 1.395(3) . ?
C13 P1 1.8238(19) . ?
C14 C15 1.390(3) . ?
C14 H14 0.95 . ?
C15 C16 1.378(4) . ?
C15 H15 0.95 . ?
C16 C17 1.373(5) . ?
C16 H16 0.95 . ?
C17 C18 1.390(3) . ?
C17 H17 0.95 . ?
C18 H18 0.95 . ?
C19 C24 1.394(2) . ?
C19 C20 1.400(2) . ?
C19 P2 1.8153(18) . ?
C20 C21 1.387(3) . ?
C20 H20 0.95 . ?
C21 C22 1.390(3) . ?
C21 H21 0.95 . ?
C22 C23 1.382(3) . ?
C22 H22 0.95 . ?
C23 C24 1.381(3) . ?
C23 H23 0.95 . ?
C24 H24 0.95 . ?
C25 C26 1.388(3) . ?
C25 C30 1.394(3) . ?
C25 P2 1.8167(17) . ?
C26 C27 1.397(3) . ?
C26 H26 0.95 . ?
C27 C28 1.368(3) . ?
C27 H27 0.95 . ?
C28 C29 1.378(3) . ?
C28 H28 0.95 . ?
C29 C30 1.389(3) . ?
C29 H29 0.95 . ?
C30 H30 0.95 . ?
C31 F2 1.332(2) . ?
C31 F1 1.362(3) . ?
C31 F3 1.365(3) . ?

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
C31 Au1 P2 174.96(6) . . ?
C31 Au1 P1 106.70(6) . . ?
P2 Au1 P1 77.670(15) . . ?
C6 C1 C2 118.47(15) . . ?
C6 C1 P1 121.91(13) . . ?
C2 C1 P1 119.44(12) . . ?
C3 C2 C1 119.34(16) . . ?
C3 C2 P2 120.93(13) . . ?
C1 C2 P2 119.73(12) . . ?
C4 C3 C2 120.95(18) . . ?
C4 C3 H3 119.5 . . ?
C2 C3 H3 119.5 . . ?
C5 C4 C3 119.84(18) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C4 C5 C6 119.90(18) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
C5 C6 C1 121.50(17) . . ?
C5 C6 H6 119.3 . . ?
C1 C6 H6 119.3 . . ?
C8 C7 C12 118.87(19) . . ?
C8 C7 P1 124.53(14) . . ?
C12 C7 P1 116.59(15) . . ?
C7 C8 C9 120.81(19) . . ?
C7 C8 H8 119.6 . . ?
C9 C8 H8 119.6 . . ?
C10 C9 C8 119.6(2) . . ?
C10 C9 H9 120.2 . . ?
C8 C9 H9 120.2 . . ?
C11 C10 C9 120.3(2) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C10 C11 C12 120.2(2) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C11 C12 C7 120.1(2) . . ?
C11 C12 H12 119.9 . . ?
C7 C12 H12 119.9 . . ?
C18 C13 C14 118.79(19) . . ?
C18 C13 P1 117.08(16) . . ?
C14 C13 P1 124.07(15) . . ?
C15 C14 C13 120.4(2) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C16 C15 C14 120.2(2) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C17 C16 C15 119.9(2) . . ?
C17 C16 H16 120 . . ?
C15 C16 H16 120 . . ?
C16 C17 C18 120.7(3) . . ?
C16 C17 H17 119.6 . . ?
C18 C17 H17 119.6 . . ?
C17 C18 C13 120.0(2) . . ?
C17 C18 H18 120 . . ?
C13 C18 H18 120 . . ?
C24 C19 C20 119.20(17) . . ?
C24 C19 P2 119.16(13) . . ?
C20 C19 P2 121.57(13) . . ?
C21 C20 C19 120.18(17) . . ?
C21 C20 H20 119.9 . . ?
C19 C20 H20 119.9 . . ?
C20 C21 C22 120.08(18) . . ?
C20 C21 H21 120 . . ?
C22 C21 H21 120 . . ?
C23 C22 C21 119.62(19) . . ?
C23 C22 H22 120.2 . . ?
C21 C22 H22 120.2 . . ?
C24 C23 C22 120.88(19) . . ?
C24 C23 H23 119.6 . . ?
C22 C23 H23 119.6 . . ?
C23 C24 C19 120.02(17) . . ?
C23 C24 H24 120 . . ?
C19 C24 H24 120 . . ?
C26 C25 C30 118.72(17) . . ?
C26 C25 P2 123.64(15) . . ?
C30 C25 P2 117.64(13) . . ?
C25 C26 C27 120.0(2) . . ?
C25 C26 H26 120 . . ?
C27 C26 H26 120 . . ?
C28 C27 C26 120.7(2) . . ?
C28 C27 H27 119.7 . . ?
C26 C27 H27 119.7 . . ?
C27 C28 C29 119.93(19) . . ?
C27 C28 H28 120 . . ?
C29 C28 H28 120 . . ?
C28 C29 C30 120.0(2) . . ?
C28 C29 H29 120 . . ?
C30 C29 H29 120 . . ?
C29 C30 C25 120.62(18) . . ?
C29 C30 H30 119.7 . . ?
C25 C30 H30 119.7 . . ?
F2 C31 F1 104.56(19) . . ?
F2 C31 F3 103.56(18) . . ?
F1 C31 F3 99.44(18) . . ?
F2 C31 Au1 117.29(14) . . ?
F1 C31 Au1 111.67(13) . . ?
F3 C31 Au1 118.07(14) . . ?
C13 P1 C7 103.37(8) . . ?
C13 P1 C1 104.60(8) . . ?
C7 P1 C1 103.55(8) . . ?
C13 P1 Au1 137.13(6) . . ?
C7 P1 Au1 105.50(6) . . ?
C1 P1 Au1 98.66(6) . . ?
C19 P2 C25 108.32(8) . . ?
C19 P2 C2 103.72(8) . . ?
C25 P2 C2 105.30(8) . . ?
C19 P2 Au1 112.14(5) . . ?
C25 P2 Au1 115.95(6) . . ?
C2 P2 Au1 110.51(5) . . ?

####################################################################### 
# 
# 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_DV689
_database_code_depnum_ccdc_archive 'CCDC 2482840'
loop_
_audit_author_name
_audit_author_address
'Sonia Mallet-Ladeira'
;Institut de Chimie de Toulouse CNRS
France
;
_audit_update_record             
;
2025-08-26 deposited with the CCDC.	2025-10-23 downloaded from the CCDC.
;

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

_chemical_formula_moiety         'C19 H47 Au B10 F2 N4 P2'
_chemical_formula_sum            'C19 H47 Au B10 F2 N4 P2'
_chemical_formula_weight         736.62
_chemical_absolute_configuration ad

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

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_Int_Tables_number      19
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'

_cell_length_a                   10.2254(11)
_cell_length_b                   16.748(2)
_cell_length_c                   18.788(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3217.5(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9956
_cell_measurement_theta_min      2.27
_cell_measurement_theta_max      30.24

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

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.04
_exptl_crystal_density_diffrn    1.521
_exptl_crystal_F_000             1464

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

_exptl_absorpt_coefficient_mu    4.701
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5764
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_process_details   'SADABS(Bruker AXS Inc.)'
#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'microfocus sealed tube'
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_measurement_device_type  'Bruker Kappa APEX II Quazar'
_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  0.0546
_diffrn_reflns_av_unetI/netI     0.0266
_diffrn_reflns_number            133933
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         2.573
_diffrn_reflns_theta_max         32.153
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_reflns_Friedel_fraction_full    1
_reflns_Friedel_fraction_max     0.997
_reflns_Friedel_coverage         0.813
_reflns_number_total             11292
_reflns_number_gt                10221
_reflns_threshold_expression     'I > 2σ(I)'

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

_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, 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
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap

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

_shelx_SHELXL_version_number     2018/3
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0188P)²+0.7474P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         11292
_refine_ls_number_parameters     496
_refine_ls_number_restraints     560
_refine_ls_R_factor_all          0.0295
_refine_ls_R_factor_gt           0.0228
_refine_ls_wR_factor_ref         0.0443
_refine_ls_wR_factor_gt          0.0424
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0
_refine_ls_abs_structure_details 
;
 Flack x determined using 4242 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.0143(19)
_refine_diff_density_max         0.789
_refine_diff_density_min         -0.582
_refine_diff_density_rms         0.073

#----------------------------------------------------------------------------#
#                   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'
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'

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 0.5712(3) 0.59430(18) 0.53361(16) 0.0229(6) Uani 1 1 d . . . . .
C2 C 0.5413(3) 0.5332(2) 0.60373(17) 0.0277(7) Uani 1 1 d D . . . .
P2 P 0.46202(8) 0.43279(5) 0.57973(4) 0.02900(17) Uani 1 1 d D . . . .
N3 N 0.544(2) 0.3727(11) 0.6345(9) 0.0424(14) Uani 0.490(18) 1 d D U P A 1
N4 N 0.3277(12) 0.4347(15) 0.6306(11) 0.0367(14) Uani 0.490(18) 1 d D U P A 1
C11 C 0.4896(15) 0.3781(10) 0.7074(8) 0.0411(17) Uani 0.490(18) 1 d D U P A 1
H11A H 0.530595 0.422574 0.733897 0.049 Uiso 0.490(18) 1 calc R U P A 1
H11B H 0.505146 0.327767 0.733743 0.049 Uiso 0.490(18) 1 calc R U P A 1
C12 C 0.3455(14) 0.3925(11) 0.6983(8) 0.0410(17) Uani 0.490(18) 1 d D U P A 1
H12A H 0.297621 0.341109 0.697551 0.049 Uiso 0.490(18) 1 calc R U P A 1
H12B H 0.311574 0.425144 0.73815 0.049 Uiso 0.490(18) 1 calc R U P A 1
C13 C 0.6182(15) 0.3044(9) 0.6113(11) 0.0464(17) Uani 0.490(18) 1 d D U P A 1
H13 H 0.642521 0.314599 0.560568 0.056 Uiso 0.490(18) 1 calc R U P A 1
C14 C 0.7464(13) 0.3044(10) 0.6538(7) 0.062(3) Uani 0.490(18) 1 d D U P A 1
H14A H 0.786521 0.357475 0.651244 0.094 Uiso 0.490(18) 1 calc R U P A 1
H14B H 0.806344 0.264781 0.633587 0.094 Uiso 0.490(18) 1 calc R U P A 1
H14C H 0.728097 0.291025 0.70355 0.094 Uiso 0.490(18) 1 calc R U P A 1
C15 C 0.5514(18) 0.2237(8) 0.6129(9) 0.063(3) Uani 0.490(18) 1 d D U P A 1
H15A H 0.501708 0.218209 0.657215 0.095 Uiso 0.490(18) 1 calc R U P A 1
H15B H 0.617454 0.181351 0.610229 0.095 Uiso 0.490(18) 1 calc R U P A 1
H15C H 0.491851 0.219176 0.572208 0.095 Uiso 0.490(18) 1 calc R U P A 1
C16 C 0.1971(15) 0.4469(12) 0.6003(9) 0.0379(17) Uani 0.490(18) 1 d D U P A 1
H16 H 0.207871 0.479918 0.556325 0.046 Uiso 0.490(18) 1 calc R U P A 1
C17 C 0.1155(16) 0.4947(10) 0.6517(10) 0.047(3) Uani 0.490(18) 1 d D U P A 1
H17A H 0.085811 0.460021 0.690456 0.07 Uiso 0.490(18) 1 calc R U P A 1
H17B H 0.039482 0.516771 0.626732 0.07 Uiso 0.490(18) 1 calc R U P A 1
H17C H 0.168134 0.53838 0.671249 0.07 Uiso 0.490(18) 1 calc R U P A 1
C18 C 0.1296(17) 0.3699(11) 0.5785(8) 0.052(3) Uani 0.490(18) 1 d D U P A 1
H18A H 0.195279 0.331037 0.562946 0.078 Uiso 0.490(18) 1 calc R U P A 1
H18B H 0.068922 0.380767 0.539262 0.078 Uiso 0.490(18) 1 calc R U P A 1
H18C H 0.081065 0.34832 0.619108 0.078 Uiso 0.490(18) 1 calc R U P A 1
N3' N 0.540(2) 0.3707(10) 0.6354(9) 0.0421(14) Uani 0.510(18) 1 d D U P A 2
N4' N 0.3231(12) 0.4365(15) 0.6278(10) 0.0367(13) Uani 0.510(18) 1 d D U P A 2
C11' C 0.4685(14) 0.3664(9) 0.7043(8) 0.0417(17) Uani 0.510(18) 1 d D U P A 2
H11C H 0.505909 0.405281 0.738346 0.05 Uiso 0.510(18) 1 calc R U P A 2
H11D H 0.477286 0.312245 0.72497 0.05 Uiso 0.510(18) 1 calc R U P A 2
C12' C 0.3259(14) 0.3851(11) 0.6913(8) 0.0402(16) Uani 0.510(18) 1 d D U P A 2
H12C H 0.275668 0.335408 0.68291 0.048 Uiso 0.510(18) 1 calc R U P A 2
H12D H 0.287711 0.413192 0.732778 0.048 Uiso 0.510(18) 1 calc R U P A 2
C13' C 0.5983(14) 0.2969(8) 0.6077(10) 0.0458(17) Uani 0.510(18) 1 d D U P A 2
H13' H 0.628021 0.307584 0.557839 0.055 Uiso 0.510(18) 1 calc R U P A 2
C14' C 0.7159(15) 0.2685(9) 0.6498(8) 0.067(3) Uani 0.510(18) 1 d D U P A 2
H14D H 0.795955 0.279684 0.622962 0.1 Uiso 0.510(18) 1 calc R U P A 2
H14E H 0.708699 0.210916 0.658212 0.1 Uiso 0.510(18) 1 calc R U P A 2
H14F H 0.718931 0.296564 0.69557 0.1 Uiso 0.510(18) 1 calc R U P A 2
C15' C 0.4917(16) 0.2321(7) 0.6045(7) 0.058(3) Uani 0.510(18) 1 d D U P A 2
H15D H 0.462908 0.219094 0.652854 0.087 Uiso 0.510(18) 1 calc R U P A 2
H15E H 0.527186 0.184066 0.581742 0.087 Uiso 0.510(18) 1 calc R U P A 2
H15F H 0.417207 0.251823 0.576789 0.087 Uiso 0.510(18) 1 calc R U P A 2
C16' C 0.1976(14) 0.4475(12) 0.5900(8) 0.0353(16) Uani 0.510(18) 1 d D U P A 2
H16' H 0.213087 0.487439 0.551381 0.042 Uiso 0.510(18) 1 calc R U P A 2
C17' C 0.0922(15) 0.4812(11) 0.6378(9) 0.048(3) Uani 0.510(18) 1 d D U P A 2
H17D H 0.076682 0.444417 0.677554 0.072 Uiso 0.510(18) 1 calc R U P A 2
H17E H 0.011249 0.487805 0.610535 0.072 Uiso 0.510(18) 1 calc R U P A 2
H17F H 0.120297 0.533071 0.656416 0.072 Uiso 0.510(18) 1 calc R U P A 2
C18' C 0.1487(17) 0.3719(10) 0.5547(8) 0.052(3) Uani 0.510(18) 1 d D U P A 2
H18D H 0.213634 0.35313 0.520235 0.079 Uiso 0.510(18) 1 calc R U P A 2
H18E H 0.066054 0.382914 0.530189 0.079 Uiso 0.510(18) 1 calc R U P A 2
H18F H 0.134596 0.33067 0.590977 0.079 Uiso 0.510(18) 1 calc R U P A 2
C3 C 0.7058(4) 0.5984(2) 0.3526(2) 0.0430(9) Uani 1 1 d . . . . .
H3A H 0.78299 0.633459 0.358592 0.052 Uiso 1 1 calc R U . . .
H3B H 0.687296 0.59274 0.30113 0.052 Uiso 1 1 calc R U . . .
C4 C 0.7306(4) 0.5172(2) 0.3861(2) 0.0400(9) Uani 1 1 d . . . . .
H4A H 0.761996 0.479266 0.349476 0.048 Uiso 1 1 calc R U . . .
H4B H 0.798527 0.521797 0.42342 0.048 Uiso 1 1 calc R U . . .
C5 C 0.5325(3) 0.7067(2) 0.36442(18) 0.0288(7) Uani 1 1 d . . . . .
H5 H 0.459116 0.719866 0.397614 0.035 Uiso 1 1 calc R U . . .
C6 C 0.4738(4) 0.6975(3) 0.2903(2) 0.0408(9) Uani 1 1 d . . . . .
H6A H 0.543453 0.685199 0.256206 0.061 Uiso 1 1 calc R U . . .
H6B H 0.430695 0.747429 0.276508 0.061 Uiso 1 1 calc R U . . .
H6C H 0.40968 0.654074 0.290629 0.061 Uiso 1 1 calc R U . . .
C7 C 0.6299(4) 0.7754(2) 0.3680(3) 0.0526(12) Uani 1 1 d . . . . .
H7A H 0.660982 0.78153 0.417033 0.079 Uiso 1 1 calc R U . . .
H7B H 0.587126 0.824816 0.352605 0.079 Uiso 1 1 calc R U . . .
H7C H 0.704181 0.763958 0.336674 0.079 Uiso 1 1 calc R U . . .
C8 C 0.5418(5) 0.4172(2) 0.3868(2) 0.0446(10) Uani 1 1 d . . . . .
H8 H 0.460754 0.407144 0.415254 0.053 Uiso 1 1 calc R U . . .
C9 C 0.4996(6) 0.4305(3) 0.3095(2) 0.0619(13) Uani 1 1 d . . . . .
H9A H 0.444002 0.478053 0.306712 0.093 Uiso 1 1 calc R U . . .
H9B H 0.450482 0.383871 0.292762 0.093 Uiso 1 1 calc R U . . .
H9C H 0.577161 0.438032 0.279685 0.093 Uiso 1 1 calc R U . . .
C10 C 0.6272(7) 0.3447(3) 0.3940(3) 0.0768(19) Uani 1 1 d . . . . .
H10A H 0.697047 0.346732 0.358334 0.115 Uiso 1 1 calc R U . . .
H10B H 0.574592 0.296464 0.38672 0.115 Uiso 1 1 calc R U . . .
H10C H 0.66587 0.343506 0.441758 0.115 Uiso 1 1 calc R U . . .
Au1 Au 0.29524(2) 0.55966(2) 0.43012(2) 0.02786(3) Uani 1 1 d D . . . .
F1 F 0.0551(8) 0.5076(7) 0.3613(4) 0.076(3) Uani 0.44 1 d D U P B 1
C19 C 0.0958(6) 0.5571(6) 0.4146(4) 0.055(3) Uani 0.44 1 d D U P B 1
H19 H 0.071015 0.6122 0.399291 0.066 Uiso 0.44 1 calc R U P B 1
F2 F 0.0237(8) 0.5418(8) 0.4742(4) 0.068(3) Uani 0.44 1 d D U P B 1
F1' F 0.0410(7) 0.5771(9) 0.3625(6) 0.075(3) Uani 0.27 1 d D U P B 2
C19' C 0.0940(6) 0.5564(6) 0.4266(5) 0.066(3) Uani 0.27 1 d D U P B 2
H19' H 0.063575 0.597961 0.461078 0.079 Uiso 0.27 1 calc R U P B 2
F2' F 0.0390(9) 0.4865(8) 0.4487(8) 0.077(3) Uani 0.27 1 d D U P B 2
F1" F 0.0547(13) 0.4823(7) 0.3902(7) 0.065(3) Uani 0.29 1 d D U P B 3
C19" C 0.0949(9) 0.5569(7) 0.4098(7) 0.051(3) Uani 0.29 1 d D U P B 3
H19" H 0.074032 0.595475 0.370767 0.061 Uiso 0.29 1 calc R U P B 3
F2" F 0.0295(16) 0.5788(9) 0.4700(8) 0.066(4) Uani 0.29 1 d D U P B 3
B1 B 0.4459(4) 0.6160(2) 0.59230(19) 0.0274(7) Uani 1 1 d . . . . .
H1 H 0.339573 0.612872 0.578215 0.033 Uiso 1 1 calc R U . . .
B2 B 0.5510(4) 0.6913(2) 0.5578(2) 0.0304(8) Uani 1 1 d . . . . .
H2 H 0.513512 0.739087 0.52145 0.037 Uiso 1 1 calc R U . . .
B3 B 0.5117(4) 0.6894(3) 0.6493(2) 0.0373(9) Uani 1 1 d . . . . .
H3 H 0.44854 0.736635 0.673897 0.045 Uiso 1 1 calc R U . . .
B4 B 0.5030(5) 0.5885(3) 0.6781(2) 0.0385(10) Uani 1 1 d . . . . .
H4 H 0.435177 0.568218 0.721227 0.046 Uiso 1 1 calc R U . . .
B5 B 0.7108(4) 0.6486(2) 0.5470(2) 0.0318(7) Uani 1 1 d . . . . .
H5A H 0.779305 0.667924 0.503747 0.038 Uiso 1 1 calc R U . . .
B6 B 0.6758(4) 0.7097(3) 0.6218(3) 0.0398(10) Uani 1 1 d . . . . .
H6 H 0.721515 0.770048 0.628246 0.048 Uiso 1 1 calc R U . . .
B7 B 0.6461(5) 0.6464(3) 0.6957(2) 0.0422(11) Uani 1 1 d . . . . .
H7 H 0.672433 0.665067 0.751102 0.051 Uiso 1 1 calc R U . . .
B8 B 0.6617(4) 0.5460(3) 0.6665(2) 0.0397(10) Uani 1 1 d . . . . .
H8A H 0.698362 0.49745 0.702278 0.048 Uiso 1 1 calc R U . . .
B9 B 0.6995(4) 0.5467(2) 0.5745(2) 0.0302(7) Uani 1 1 d . . . . .
H9 H 0.758731 0.498315 0.548921 0.036 Uiso 1 1 calc R U . . .
B10 B 0.7665(4) 0.6201(3) 0.6324(2) 0.0404(10) Uani 1 1 d . . . . .
H10 H 0.873136 0.620945 0.646043 0.048 Uiso 1 1 calc R U . . .
N1 N 0.5922(3) 0.63195(17) 0.38976(15) 0.0271(6) Uani 1 1 d . . . . .
N2 N 0.6069(3) 0.48777(16) 0.41765(15) 0.0302(6) Uani 1 1 d . . . . .
P1 P 0.51711(7) 0.56631(5) 0.44086(4) 0.02062(14) Uani 1 1 d . . . . .



#----------------------------------------------------------------------------#
#                   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 1.696(4) . ?
C1 B2 1.700(5) . ?
C1 B5 1.711(5) . ?
C1 B9 1.717(5) . ?
C1 B1 1.729(5) . ?
C1 P1 1.887(3) . ?
C2 B1 1.709(5) . ?
C2 B8 1.718(5) . ?
C2 B4 1.720(5) . ?
C2 B9 1.723(5) . ?
C2 P2 1.921(3) . ?
P2 N3 1.667(13) . ?
P2 N4 1.674(13) . ?
P2 N3' 1.675(12) . ?
P2 N4' 1.684(12) . ?
N3 C13 1.440(13) . ?
N3 C11 1.480(14) . ?
N4 C16 1.466(13) . ?
N4 C12 1.467(13) . ?
C11 C12 1.503(13) . ?
C11 H11A 0.99 . ?
C11 H11B 0.99 . ?
C12 H12A 0.99 . ?
C12 H12B 0.99 . ?
C13 C15 1.515(15) . ?
C13 C14 1.534(14) . ?
C13 H13 1 . ?
C14 H14A 0.98 . ?
C14 H14B 0.98 . ?
C14 H14C 0.98 . ?
C15 H15A 0.98 . ?
C15 H15B 0.98 . ?
C15 H15C 0.98 . ?
C16 C17 1.506(14) . ?
C16 C18 1.518(15) . ?
C16 H16 1 . ?
C17 H17A 0.98 . ?
C17 H17B 0.98 . ?
C17 H17C 0.98 . ?
C18 H18A 0.98 . ?
C18 H18B 0.98 . ?
C18 H18C 0.98 . ?
N3' C13' 1.469(13) . ?
N3' C11' 1.488(13) . ?
N4' C12' 1.473(13) . ?
N4' C16' 1.478(12) . ?
C11' C12' 1.511(13) . ?
C11' H11C 0.99 . ?
C11' H11D 0.99 . ?
C12' H12C 0.99 . ?
C12' H12D 0.99 . ?
C13' C14' 1.516(14) . ?
C13' C15' 1.540(14) . ?
C13' H13' 1 . ?
C14' H14D 0.98 . ?
C14' H14E 0.98 . ?
C14' H14F 0.98 . ?
C15' H15D 0.98 . ?
C15' H15E 0.98 . ?
C15' H15F 0.98 . ?
C16' C17' 1.513(13) . ?
C16' C18' 1.514(14) . ?
C16' H16' 1 . ?
C17' H17D 0.98 . ?
C17' H17E 0.98 . ?
C17' H17F 0.98 . ?
C18' H18D 0.98 . ?
C18' H18E 0.98 . ?
C18' H18F 0.98 . ?
C3 N1 1.467(5) . ?
C3 C4 1.520(5) . ?
C3 H3A 0.99 . ?
C3 H3B 0.99 . ?
C4 N2 1.482(5) . ?
C4 H4A 0.99 . ?
C4 H4B 0.99 . ?
C5 N1 1.472(4) . ?
C5 C7 1.523(5) . ?
C5 C6 1.523(5) . ?
C5 H5 1 . ?
C6 H6A 0.98 . ?
C6 H6B 0.98 . ?
C6 H6C 0.98 . ?
C7 H7A 0.98 . ?
C7 H7B 0.98 . ?
C7 H7C 0.98 . ?
C8 N2 1.476(5) . ?
C8 C10 1.502(6) . ?
C8 C9 1.530(6) . ?
C8 H8 1 . ?
C9 H9A 0.98 . ?
C9 H9B 0.98 . ?
C9 H9C 0.98 . ?
C10 H10A 0.98 . ?
C10 H10B 0.98 . ?
C10 H10C 0.98 . ?
Au1 C19' 2.060(6) . ?
Au1 C19 2.060(6) . ?
Au1 C19" 2.085(10) . ?
Au1 P1 2.2803(8) . ?
F1 C19 1.364(5) . ?
C19 F2 1.365(5) . ?
C19 H19 1 . ?
F1' C19' 1.364(5) . ?
C19' F2' 1.365(5) . ?
C19' H19' 1 . ?
F1" C19" 1.365(5) . ?
C19" F2" 1.365(5) . ?
C19" H19" 1 . ?
B1 B3 1.765(5) . ?
B1 B4 1.775(6) . ?
B1 B2 1.780(6) . ?
B1 H1 1.12 . ?
B2 B3 1.766(6) . ?
B2 B6 1.780(5) . ?
B2 B5 1.795(6) . ?
B2 H2 1.12 . ?
B3 B4 1.777(7) . ?
B3 B7 1.780(6) . ?
B3 B6 1.788(6) . ?
B3 H3 1.12 . ?
B4 B8 1.784(6) . ?
B4 B7 1.786(7) . ?
B4 H4 1.12 . ?
B5 B10 1.769(6) . ?
B5 B6 1.776(6) . ?
B5 B9 1.786(5) . ?
B5 H5A 1.12 . ?
B6 B7 1.773(7) . ?
B6 B10 1.775(6) . ?
B6 H6 1.12 . ?
B7 B10 1.767(7) . ?
B7 B8 1.775(7) . ?
B7 H7 1.12 . ?
B8 B10 1.760(7) . ?
B8 B9 1.771(6) . ?
B8 H8A 1.12 . ?
B9 B10 1.779(5) . ?
B9 H9 1.12 . ?
B10 H10 1.12 . ?
N1 P1 1.649(3) . ?
N2 P1 1.662(3) . ?

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 B2 110.3(2) . . ?
C2 C1 B5 110.9(2) . . ?
B2 C1 B5 63.5(2) . . ?
C2 C1 B9 60.7(2) . . ?
B2 C1 B9 114.6(2) . . ?
B5 C1 B9 62.8(2) . . ?
C2 C1 B1 59.9(2) . . ?
B2 C1 B1 62.5(2) . . ?
B5 C1 B1 114.4(3) . . ?
B9 C1 B1 112.3(2) . . ?
C2 C1 P1 121.0(2) . . ?
B2 C1 P1 116.7(2) . . ?
B5 C1 P1 120.8(2) . . ?
B9 C1 P1 121.5(2) . . ?
B1 C1 P1 115.1(2) . . ?
C1 C2 B1 61.03(19) . . ?
C1 C2 B8 109.2(3) . . ?
B1 C2 B8 113.2(3) . . ?
C1 C2 B4 110.3(3) . . ?
B1 C2 B4 62.3(2) . . ?
B8 C2 B4 62.5(2) . . ?
C1 C2 B9 60.28(19) . . ?
B1 C2 B9 112.9(3) . . ?
B8 C2 B9 61.9(2) . . ?
B4 C2 B9 113.7(3) . . ?
C1 C2 P2 115.0(2) . . ?
B1 C2 P2 116.1(2) . . ?
B8 C2 P2 125.0(2) . . ?
B4 C2 P2 124.4(3) . . ?
B9 C2 P2 115.9(2) . . ?
N3 P2 N4 94.2(8) . . ?
N3' P2 N4' 95.1(8) . . ?
N3 P2 C2 99.8(9) . . ?
N4 P2 C2 101.3(10) . . ?
N3' P2 C2 101.4(8) . . ?
N4' P2 C2 101.4(9) . . ?
C13 N3 C11 121.7(12) . . ?
C13 N3 P2 123.9(13) . . ?
C11 N3 P2 110.1(9) . . ?
C16 N4 C12 121.1(11) . . ?
C16 N4 P2 121.9(12) . . ?
C12 N4 P2 112.6(10) . . ?
N3 C11 C12 105.9(11) . . ?
N3 C11 H11A 110.5 . . ?
C12 C11 H11A 110.5 . . ?
N3 C11 H11B 110.5 . . ?
C12 C11 H11B 110.5 . . ?
H11A C11 H11B 108.7 . . ?
N4 C12 C11 107.3(10) . . ?
N4 C12 H12A 110.3 . . ?
C11 C12 H12A 110.3 . . ?
N4 C12 H12B 110.3 . . ?
C11 C12 H12B 110.3 . . ?
H12A C12 H12B 108.5 . . ?
N3 C13 C15 117.8(14) . . ?
N3 C13 C14 106.9(12) . . ?
C15 C13 C14 112.1(11) . . ?
N3 C13 H13 106.5 . . ?
C15 C13 H13 106.5 . . ?
C14 C13 H13 106.5 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N4 C16 C17 109.2(12) . . ?
N4 C16 C18 113.6(15) . . ?
C17 C16 C18 111.9(12) . . ?
N4 C16 H16 107.3 . . ?
C17 C16 H16 107.3 . . ?
C18 C16 H16 107.3 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C13' N3' C11' 117.9(13) . . ?
C13' N3' P2 119.7(12) . . ?
C11' N3' P2 110.0(9) . . ?
C12' N4' C16' 118.6(12) . . ?
C12' N4' P2 113.4(10) . . ?
C16' N4' P2 118.7(12) . . ?
N3' C11' C12' 108.8(10) . . ?
N3' C11' H11C 109.9 . . ?
C12' C11' H11C 109.9 . . ?
N3' C11' H11D 109.9 . . ?
C12' C11' H11D 109.9 . . ?
H11C C11' H11D 108.3 . . ?
N4' C12' C11' 105.7(9) . . ?
N4' C12' H12C 110.6 . . ?
C11' C12' H12C 110.6 . . ?
N4' C12' H12D 110.6 . . ?
C11' C12' H12D 110.6 . . ?
H12C C12' H12D 108.7 . . ?
N3' C13' C14' 113.7(12) . . ?
N3' C13' C15' 108.5(13) . . ?
C14' C13' C15' 111.1(11) . . ?
N3' C13' H13' 107.7 . . ?
C14' C13' H13' 107.7 . . ?
C15' C13' H13' 107.7 . . ?
C13' C14' H14D 109.5 . . ?
C13' C14' H14E 109.5 . . ?
H14D C14' H14E 109.5 . . ?
C13' C14' H14F 109.5 . . ?
H14D C14' H14F 109.5 . . ?
H14E C14' H14F 109.5 . . ?
C13' C15' H15D 109.5 . . ?
C13' C15' H15E 109.5 . . ?
H15D C15' H15E 109.5 . . ?
C13' C15' H15F 109.5 . . ?
H15D C15' H15F 109.5 . . ?
H15E C15' H15F 109.5 . . ?
N4' C16' C17' 112.3(11) . . ?
N4' C16' C18' 113.2(14) . . ?
C17' C16' C18' 109.6(11) . . ?
N4' C16' H16' 107.1 . . ?
C17' C16' H16' 107.1 . . ?
C18' C16' H16' 107.1 . . ?
C16' C17' H17D 109.5 . . ?
C16' C17' H17E 109.5 . . ?
H17D C17' H17E 109.5 . . ?
C16' C17' H17F 109.5 . . ?
H17D C17' H17F 109.5 . . ?
H17E C17' H17F 109.5 . . ?
C16' C18' H18D 109.5 . . ?
C16' C18' H18E 109.5 . . ?
H18D C18' H18E 109.5 . . ?
C16' C18' H18F 109.5 . . ?
H18D C18' H18F 109.5 . . ?
H18E C18' H18F 109.5 . . ?
N1 C3 C4 106.1(3) . . ?
N1 C3 H3A 110.5 . . ?
C4 C3 H3A 110.5 . . ?
N1 C3 H3B 110.5 . . ?
C4 C3 H3B 110.5 . . ?
H3A C3 H3B 108.7 . . ?
N2 C4 C3 108.7(3) . . ?
N2 C4 H4A 109.9 . . ?
C3 C4 H4A 109.9 . . ?
N2 C4 H4B 109.9 . . ?
C3 C4 H4B 109.9 . . ?
H4A C4 H4B 108.3 . . ?
N1 C5 C7 110.9(3) . . ?
N1 C5 C6 111.9(3) . . ?
C7 C5 C6 112.0(3) . . ?
N1 C5 H5 107.3 . . ?
C7 C5 H5 107.3 . . ?
C6 C5 H5 107.3 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N2 C8 C10 110.5(4) . . ?
N2 C8 C9 112.5(3) . . ?
C10 C8 C9 111.6(4) . . ?
N2 C8 H8 107.3 . . ?
C10 C8 H8 107.3 . . ?
C9 C8 H8 107.3 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C19' Au1 P1 176.5(3) . . ?
C19 Au1 P1 176.6(2) . . ?
C19" Au1 P1 174.3(4) . . ?
F1 C19 F2 108.8(6) . . ?
F1 C19 Au1 114.8(5) . . ?
F2 C19 Au1 115.0(6) . . ?
F1 C19 H19 105.8 . . ?
F2 C19 H19 105.8 . . ?
Au1 C19 H19 105.8 . . ?
F1' C19' F2' 108.8(6) . . ?
F1' C19' Au1 114.7(5) . . ?
F2' C19' Au1 115.1(6) . . ?
F1' C19' H19' 105.8 . . ?
F2' C19' H19' 105.8 . . ?
Au1 C19' H19' 105.8 . . ?
F1" C19" F2" 108.8(6) . . ?
F1" C19" Au1 111.4(9) . . ?
F2" C19" Au1 108.9(10) . . ?
F1" C19" H19" 109.2 . . ?
F2" C19" H19" 109.2 . . ?
Au1 C19" H19" 109.2 . . ?
C2 B1 C1 59.11(19) . . ?
C2 B1 B3 105.7(3) . . ?
C1 B1 B3 104.5(3) . . ?
C2 B1 B4 59.1(2) . . ?
C1 B1 B4 106.3(3) . . ?
B3 B1 B4 60.3(2) . . ?
C2 B1 B2 106.0(3) . . ?
C1 B1 B2 57.9(2) . . ?
B3 B1 B2 59.8(2) . . ?
B4 B1 B2 108.4(3) . . ?
C2 B1 H1 123.1 . . ?
C1 B1 H1 124 . . ?
B3 B1 H1 123.1 . . ?
B4 B1 H1 121.5 . . ?
B2 B1 H1 122.2 . . ?
C1 B2 B3 105.7(3) . . ?
C1 B2 B6 105.0(3) . . ?
B3 B2 B6 60.6(2) . . ?
C1 B2 B1 59.5(2) . . ?
B3 B2 B1 59.7(2) . . ?
B6 B2 B1 108.1(3) . . ?
C1 B2 B5 58.54(19) . . ?
B3 B2 B5 108.1(3) . . ?
B6 B2 B5 59.6(2) . . ?
B1 B2 B5 108.0(3) . . ?
C1 B2 H2 124.1 . . ?
B3 B2 H2 121.9 . . ?
B6 B2 H2 122.3 . . ?
B1 B2 H2 121.4 . . ?
B5 B2 H2 121.8 . . ?
B1 B3 B2 60.5(2) . . ?
B1 B3 B4 60.1(2) . . ?
B2 B3 B4 108.9(3) . . ?
B1 B3 B7 108.0(3) . . ?
B2 B3 B7 107.9(3) . . ?
B4 B3 B7 60.3(3) . . ?
B1 B3 B6 108.3(3) . . ?
B2 B3 B6 60.1(2) . . ?
B4 B3 B6 108.4(3) . . ?
B7 B3 B6 59.6(3) . . ?
B1 B3 H3 121.5 . . ?
B2 B3 H3 121.3 . . ?
B4 B3 H3 121.2 . . ?
B7 B3 H3 122 . . ?
B6 B3 H3 121.7 . . ?
C2 B4 B1 58.5(2) . . ?
C2 B4 B3 104.7(3) . . ?
B1 B4 B3 59.6(2) . . ?
C2 B4 B8 58.7(2) . . ?
B1 B4 B8 107.0(3) . . ?
B3 B4 B8 107.3(3) . . ?
C2 B4 B7 104.9(3) . . ?
B1 B4 B7 107.3(3) . . ?
B3 B4 B7 59.9(3) . . ?
B8 B4 B7 59.6(3) . . ?
C2 B4 H4 124.5 . . ?
B1 B4 H4 122.1 . . ?
B3 B4 H4 122.6 . . ?
B8 B4 H4 122.1 . . ?
B7 B4 H4 122.5 . . ?
C1 B5 B10 105.0(3) . . ?
C1 B5 B6 104.7(3) . . ?
B10 B5 B6 60.1(2) . . ?
C1 B5 B9 58.8(2) . . ?
B10 B5 B9 60.0(2) . . ?
B6 B5 B9 107.9(3) . . ?
C1 B5 B2 57.9(2) . . ?
B10 B5 B2 107.3(3) . . ?
B6 B5 B2 59.8(2) . . ?
B9 B5 B2 106.8(3) . . ?
C1 B5 H5A 124.7 . . ?
B10 B5 H5A 122.3 . . ?
B6 B5 H5A 122.2 . . ?
B9 B5 H5A 121.8 . . ?
B2 B5 H5A 122.4 . . ?
B7 B6 B10 59.7(3) . . ?
B7 B6 B5 108.0(3) . . ?
B10 B6 B5 59.8(2) . . ?
B7 B6 B2 107.6(3) . . ?
B10 B6 B2 107.7(3) . . ?
B5 B6 B2 60.6(2) . . ?
B7 B6 B3 60.0(3) . . ?
B10 B6 B3 107.3(3) . . ?
B5 B6 B3 108.0(3) . . ?
B2 B6 B3 59.3(2) . . ?
B7 B6 H6 121.8 . . ?
B10 B6 H6 122.2 . . ?
B5 B6 H6 121.4 . . ?
B2 B6 H6 121.9 . . ?
B3 B6 H6 122.1 . . ?
B10 B7 B6 60.2(3) . . ?
B10 B7 B8 59.6(3) . . ?
B6 B7 B8 108.0(3) . . ?
B10 B7 B3 108.0(3) . . ?
B6 B7 B3 60.5(3) . . ?
B8 B7 B3 107.6(3) . . ?
B10 B7 B4 108.1(3) . . ?
B6 B7 B4 108.7(3) . . ?
B8 B7 B4 60.2(3) . . ?
B3 B7 B4 59.8(3) . . ?
B10 B7 H7 121.8 . . ?
B6 B7 H7 121.2 . . ?
B8 B7 H7 122 . . ?
B3 B7 H7 121.8 . . ?
B4 B7 H7 121.5 . . ?
C2 B8 B10 106.0(3) . . ?
C2 B8 B9 59.2(2) . . ?
B10 B8 B9 60.5(2) . . ?
C2 B8 B7 105.4(3) . . ?
B10 B8 B7 60.0(3) . . ?
B9 B8 B7 108.4(3) . . ?
C2 B8 B4 58.8(2) . . ?
B10 B8 B4 108.5(3) . . ?
B9 B8 B4 108.3(3) . . ?
B7 B8 B4 60.2(3) . . ?
C2 B8 H8A 124.1 . . ?
B10 B8 H8A 121.8 . . ?
B9 B8 H8A 121.2 . . ?
B7 B8 H8A 122.2 . . ?
B4 B8 H8A 121.4 . . ?
C1 B9 C2 59.07(19) . . ?
C1 B9 B8 105.8(3) . . ?
C2 B9 B8 58.9(2) . . ?
C1 B9 B10 104.3(2) . . ?
C2 B9 B10 104.9(3) . . ?
B8 B9 B10 59.4(2) . . ?
C1 B9 B5 58.4(2) . . ?
C2 B9 B5 106.2(3) . . ?
B8 B9 B5 107.6(3) . . ?
B10 B9 B5 59.5(2) . . ?
C1 B9 H9 123.8 . . ?
C2 B9 H9 123.3 . . ?
B8 B9 H9 122.1 . . ?
B10 B9 H9 123.7 . . ?
B5 B9 H9 122.1 . . ?
B8 B10 B7 60.4(3) . . ?
B8 B10 B5 108.9(3) . . ?
B7 B10 B5 108.6(3) . . ?
B8 B10 B6 108.6(3) . . ?
B7 B10 B6 60.1(3) . . ?
B5 B10 B6 60.2(2) . . ?
B8 B10 B9 60.1(2) . . ?
B7 B10 B9 108.4(3) . . ?
B5 B10 B9 60.5(2) . . ?
B6 B10 B9 108.3(3) . . ?
B8 B10 H10 121.2 . . ?
B7 B10 H10 121.4 . . ?
B5 B10 H10 121.2 . . ?
B6 B10 H10 121.6 . . ?
B9 B10 H10 121.5 . . ?
C3 N1 C5 120.0(3) . . ?
C3 N1 P1 113.0(2) . . ?
C5 N1 P1 124.2(2) . . ?
C8 N2 C4 119.6(3) . . ?
C8 N2 P1 119.2(3) . . ?
C4 N2 P1 108.3(2) . . ?
N1 P1 N2 96.76(14) . . ?
N1 P1 C1 103.62(14) . . ?
N2 P1 C1 106.08(14) . . ?
N1 P1 Au1 116.38(10) . . ?
N2 P1 Au1 119.18(11) . . ?
C1 P1 Au1 112.66(10) . . ?

####################################################################### 
# 
# 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_DV951
_database_code_depnum_ccdc_archive 'CCDC 2482845'
loop_
_audit_author_name
_audit_author_address
'Sonia Mallet-Ladeira'
;Institut de Chimie de Toulouse CNRS
France
;
_audit_update_record             
;
2025-08-26 deposited with the CCDC.	2025-10-23 downloaded from the CCDC.
;


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

_chemical_formula_moiety         'C25 H40 Au B F3 P'
_chemical_formula_sum            'C25 H40 Au B F3 P'
_chemical_formula_weight         636.32

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

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.6619(7)
_cell_length_b                   9.6434(8)
_cell_length_c                   17.4721(16)
_cell_angle_alpha                79.094(4)
_cell_angle_beta                 85.397(3)
_cell_angle_gamma                67.850(3)
_cell_volume                     1327.3(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9833
_cell_measurement_theta_min      2.78
_cell_measurement_theta_max      33.16

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

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.04
_exptl_crystal_density_diffrn    1.592
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             632

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

_exptl_absorpt_coefficient_mu    5.633
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5181
_exptl_absorpt_correction_T_max  0.7466
_exptl_absorpt_process_details   
;Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;

#----------------------------------------------------------------------------#
#                   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  0.0438
_diffrn_reflns_av_unetI/netI     0.0259
_diffrn_reflns_number            75473
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.731
_diffrn_reflns_theta_max         33.286
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_reflns_Friedel_coverage         0
_reflns_number_total             10180
_reflns_number_gt                9246
_reflns_threshold_expression     'I > 2σ(I)'

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

_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT (Sheldrick 2015)'
_computing_structure_refinement  'SHELXL-2019/3 (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
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap

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

_shelx_SHELXL_version_number     2019/3
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0234P)²+0.1743P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         10180
_refine_ls_number_parameters     284
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.025
_refine_ls_R_factor_gt           0.0204
_refine_ls_wR_factor_ref         0.0478
_refine_ls_wR_factor_gt          0.0464
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_diff_density_max         0.502
_refine_diff_density_min         -1.156
_refine_diff_density_rms         0.091

#----------------------------------------------------------------------------#
#                   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'
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'

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 0.73364(2) 0.51472(2) 0.35627(2) 0.02540(2) Uani 1 1 d . . . . .
B1 B 0.6366(2) 0.61571(19) 0.18645(10) 0.0209(3) Uani 1 1 d . . . . .
C1 C 0.4207(2) 0.83409(17) 0.25986(10) 0.0225(3) Uani 1 1 d . . . . .
C2 C 0.2974(2) 0.98083(19) 0.25444(11) 0.0296(3) Uani 1 1 d . . . . .
H2 H 0.258439 1.023049 0.30045 0.036 Uiso 1 1 calc R U . . .
C3 C 0.2318(2) 1.0646(2) 0.18309(12) 0.0324(4) Uani 1 1 d . . . . .
H3 H 0.149912 1.164338 0.179873 0.039 Uiso 1 1 calc R U . . .
C4 C 0.2872(2) 1.0013(2) 0.11648(12) 0.0297(3) Uani 1 1 d . . . . .
H4 H 0.240818 1.056529 0.067367 0.036 Uiso 1 1 calc R U . . .
C5 C 0.4105(2) 0.85700(19) 0.12124(10) 0.0252(3) Uani 1 1 d . . . . .
H5 H 0.446988 0.815755 0.074799 0.03 Uiso 1 1 calc R U . . .
C6 C 0.48338(19) 0.76974(17) 0.19259(9) 0.0204(3) Uani 1 1 d . . . . .
C7 C 0.3151(2) 0.6702(2) 0.40026(12) 0.0352(4) Uani 1 1 d . . . . .
H7 H 0.351471 0.610892 0.453456 0.042 Uiso 1 1 calc R U . . .
C8 C 0.2836(3) 0.5643(3) 0.35431(14) 0.0489(6) Uani 1 1 d . . . . .
H8A H 0.194197 0.532645 0.379691 0.073 Uiso 1 1 calc R U . . .
H8B H 0.38559 0.474486 0.352556 0.073 Uiso 1 1 calc R U . . .
H8C H 0.250558 0.617507 0.301123 0.073 Uiso 1 1 calc R U . . .
C9 C 0.1543(3) 0.8056(3) 0.41084(19) 0.0614(8) Uani 1 1 d . . . . .
H9A H 0.113111 0.865587 0.359696 0.092 Uiso 1 1 calc R U . . .
H9B H 0.177263 0.869414 0.442369 0.092 Uiso 1 1 calc R U . . .
H9C H 0.069774 0.768145 0.437214 0.092 Uiso 1 1 calc R U . . .
C10 C 0.5179(3) 0.8513(2) 0.41495(12) 0.0339(4) Uani 1 1 d . . . . .
H10 H 0.411837 0.941823 0.41437 0.041 Uiso 1 1 calc R U . . .
C11 C 0.6576(3) 0.9050(3) 0.38009(16) 0.0497(6) Uani 1 1 d . . . . .
H11A H 0.670178 0.974675 0.411198 0.075 Uiso 1 1 calc R U . . .
H11B H 0.629939 0.957781 0.326384 0.075 Uiso 1 1 calc R U . . .
H11C H 0.762341 0.817149 0.380374 0.075 Uiso 1 1 calc R U . . .
C12 C 0.5558(3) 0.7693(3) 0.49881(13) 0.0484(6) Uani 1 1 d . . . . .
H12A H 0.652775 0.674433 0.499556 0.073 Uiso 1 1 calc R U . . .
H12B H 0.459237 0.746353 0.521649 0.073 Uiso 1 1 calc R U . . .
H12C H 0.579777 0.834404 0.52916 0.073 Uiso 1 1 calc R U . . .
C13 C 0.9573(3) 0.3297(2) 0.36625(13) 0.0388(4) Uani 1 1 d . . . . .
C14 C 0.6047(2) 0.46514(18) 0.18268(10) 0.0240(3) Uani 1 1 d . . . . .
H14 H 0.54997 0.440757 0.233291 0.029 Uiso 1 1 calc R U . . .
C15 C 0.4810(2) 0.4883(2) 0.11851(14) 0.0355(4) Uani 1 1 d . . . . .
H15A H 0.37665 0.574756 0.125641 0.043 Uiso 1 1 calc R U . . .
H15B H 0.529109 0.514289 0.066987 0.043 Uiso 1 1 calc R U . . .
C16 C 0.4404(3) 0.3463(3) 0.11988(18) 0.0491(6) Uani 1 1 d . . . . .
H16A H 0.38078 0.326893 0.169014 0.059 Uiso 1 1 calc R U . . .
H16B H 0.36583 0.3643 0.076002 0.059 Uiso 1 1 calc R U . . .
C17 C 0.5970(3) 0.2078(2) 0.11352(17) 0.0472(6) Uani 1 1 d . . . . .
H17A H 0.567135 0.117006 0.118483 0.057 Uiso 1 1 calc R U . . .
H17B H 0.649417 0.221859 0.061632 0.057 Uiso 1 1 calc R U . . .
C18 C 0.7203(3) 0.1826(2) 0.17637(17) 0.0487(6) Uani 1 1 d . . . . .
H18A H 0.824284 0.096541 0.16833 0.058 Uiso 1 1 calc R U . . .
H18B H 0.67321 0.155228 0.22793 0.058 Uiso 1 1 calc R U . . .
C19 C 0.7611(2) 0.3237(2) 0.17588(15) 0.0371(4) Uani 1 1 d . . . . .
H19A H 0.821265 0.343233 0.12692 0.044 Uiso 1 1 calc R U . . .
H19B H 0.836015 0.304246 0.219866 0.044 Uiso 1 1 calc R U . . .
C20 C 0.8128(2) 0.62835(17) 0.16399(9) 0.0216(3) Uani 1 1 d . . . . .
H20 H 0.901216 0.526288 0.180859 0.026 Uiso 1 1 calc R U . . .
C21 C 0.8162(2) 0.6651(2) 0.07329(10) 0.0271(3) Uani 1 1 d . . . . .
H21A H 0.796327 0.585246 0.051932 0.033 Uiso 1 1 calc R U . . .
H21B H 0.725177 0.763221 0.055342 0.033 Uiso 1 1 calc R U . . .
C22 C 0.9832(2) 0.6741(2) 0.04214(11) 0.0315(4) Uani 1 1 d . . . . .
H22A H 1.073001 0.573296 0.055897 0.038 Uiso 1 1 calc R U . . .
H22B H 0.979037 0.70163 -0.015405 0.038 Uiso 1 1 calc R U . . .
C23 C 1.0225(2) 0.7912(2) 0.07575(12) 0.0335(4) Uani 1 1 d . . . . .
H23A H 0.938487 0.89369 0.057931 0.04 Uiso 1 1 calc R U . . .
H23B H 1.133242 0.791138 0.056654 0.04 Uiso 1 1 calc R U . . .
C24 C 1.0219(2) 0.7560(2) 0.16462(11) 0.0305(4) Uani 1 1 d . . . . .
H24A H 1.04197 0.836367 0.185362 0.037 Uiso 1 1 calc R U . . .
H24B H 1.113438 0.658152 0.182395 0.037 Uiso 1 1 calc R U . . .
C25 C 0.8556(2) 0.74661(19) 0.19665(11) 0.0262(3) Uani 1 1 d . . . . .
H25A H 0.765745 0.84754 0.18313 0.031 Uiso 1 1 calc R U . . .
H25B H 0.861118 0.719621 0.254187 0.031 Uiso 1 1 calc R U . . .
F1 F 0.9438(2) 0.19291(16) 0.37436(13) 0.0773(6) Uani 1 1 d . . . . .
F2 F 1.06723(18) 0.32984(18) 0.30601(9) 0.0589(4) Uani 1 1 d . . . . .
F3 F 1.04878(18) 0.3172(2) 0.42986(9) 0.0587(4) Uani 1 1 d . . . . .
P1 P 0.49053(6) 0.72323(5) 0.35550(3) 0.02393(8) Uani 1 1 d . . . . .



#----------------------------------------------------------------------------#
#                   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
Au1 C13 2.073(2) . ?
Au1 P1 2.2976(5) . ?
B1 C20 1.589(2) . ?
B1 C6 1.591(2) . ?
B1 C14 1.591(2) . ?
C1 C2 1.407(2) . ?
C1 C6 1.407(2) . ?
C1 P1 1.8164(17) . ?
C2 C3 1.384(3) . ?
C2 H2 0.95 . ?
C3 C4 1.384(3) . ?
C3 H3 0.95 . ?
C4 C5 1.390(2) . ?
C4 H4 0.95 . ?
C5 C6 1.410(2) . ?
C5 H5 0.95 . ?
C7 C8 1.523(3) . ?
C7 C9 1.536(3) . ?
C7 P1 1.851(2) . ?
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 1.524(3) . ?
C10 C11 1.530(3) . ?
C10 P1 1.845(2) . ?
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 F1 1.348(3) . ?
C13 F2 1.362(3) . ?
C13 F3 1.377(3) . ?
C14 C19 1.534(2) . ?
C14 C15 1.540(3) . ?
C14 H14 1 . ?
C15 C16 1.532(3) . ?
C15 H15A 0.99 . ?
C15 H15B 0.99 . ?
C16 C17 1.517(3) . ?
C16 H16A 0.99 . ?
C16 H16B 0.99 . ?
C17 C18 1.515(3) . ?
C17 H17A 0.99 . ?
C17 H17B 0.99 . ?
C18 C19 1.528(3) . ?
C18 H18A 0.99 . ?
C18 H18B 0.99 . ?
C19 H19A 0.99 . ?
C19 H19B 0.99 . ?
C20 C25 1.537(2) . ?
C20 C21 1.557(2) . ?
C20 H20 1 . ?
C21 C22 1.532(2) . ?
C21 H21A 0.99 . ?
C21 H21B 0.99 . ?
C22 C23 1.520(3) . ?
C22 H22A 0.99 . ?
C22 H22B 0.99 . ?
C23 C24 1.525(3) . ?
C23 H23A 0.99 . ?
C23 H23B 0.99 . ?
C24 C25 1.532(2) . ?
C24 H24A 0.99 . ?
C24 H24B 0.99 . ?
C25 H25A 0.99 . ?
C25 H25B 0.99 . ?

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
C13 Au1 P1 175.03(7) . . ?
C20 B1 C6 116.96(13) . . ?
C20 B1 C14 121.33(13) . . ?
C6 B1 C14 120.09(14) . . ?
C2 C1 C6 120.81(15) . . ?
C2 C1 P1 119.16(13) . . ?
C6 C1 P1 119.93(11) . . ?
C3 C2 C1 121.00(17) . . ?
C3 C2 H2 119.5 . . ?
C1 C2 H2 119.5 . . ?
C2 C3 C4 119.13(16) . . ?
C2 C3 H3 120.4 . . ?
C4 C3 H3 120.4 . . ?
C3 C4 C5 120.20(17) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
C4 C5 C6 122.31(17) . . ?
C4 C5 H5 118.8 . . ?
C6 C5 H5 118.8 . . ?
C1 C6 C5 116.48(14) . . ?
C1 C6 B1 127.62(14) . . ?
C5 C6 B1 115.71(14) . . ?
C8 C7 C9 111.2(2) . . ?
C8 C7 P1 109.81(15) . . ?
C9 C7 P1 114.52(16) . . ?
C8 C7 H7 107 . . ?
C9 C7 H7 107 . . ?
P1 C7 H7 107 . . ?
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 111.1(2) . . ?
C12 C10 P1 109.71(15) . . ?
C11 C10 P1 109.74(14) . . ?
C12 C10 H10 108.7 . . ?
C11 C10 H10 108.7 . . ?
P1 C10 H10 108.7 . . ?
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 . . ?
F1 C13 F2 104.28(19) . . ?
F1 C13 F3 103.94(18) . . ?
F2 C13 F3 102.81(18) . . ?
F1 C13 Au1 115.34(16) . . ?
F2 C13 Au1 115.70(14) . . ?
F3 C13 Au1 113.26(15) . . ?
C19 C14 C15 109.43(15) . . ?
C19 C14 B1 115.73(14) . . ?
C15 C14 B1 112.67(14) . . ?
C19 C14 H14 106.1 . . ?
C15 C14 H14 106.1 . . ?
B1 C14 H14 106.1 . . ?
C16 C15 C14 112.10(17) . . ?
C16 C15 H15A 109.2 . . ?
C14 C15 H15A 109.2 . . ?
C16 C15 H15B 109.2 . . ?
C14 C15 H15B 109.2 . . ?
H15A C15 H15B 107.9 . . ?
C17 C16 C15 111.58(18) . . ?
C17 C16 H16A 109.3 . . ?
C15 C16 H16A 109.3 . . ?
C17 C16 H16B 109.3 . . ?
C15 C16 H16B 109.3 . . ?
H16A C16 H16B 108 . . ?
C18 C17 C16 111.1(2) . . ?
C18 C17 H17A 109.4 . . ?
C16 C17 H17A 109.4 . . ?
C18 C17 H17B 109.4 . . ?
C16 C17 H17B 109.4 . . ?
H17A C17 H17B 108 . . ?
C17 C18 C19 111.99(19) . . ?
C17 C18 H18A 109.2 . . ?
C19 C18 H18A 109.2 . . ?
C17 C18 H18B 109.2 . . ?
C19 C18 H18B 109.2 . . ?
H18A C18 H18B 107.9 . . ?
C18 C19 C14 112.45(17) . . ?
C18 C19 H19A 109.1 . . ?
C14 C19 H19A 109.1 . . ?
C18 C19 H19B 109.1 . . ?
C14 C19 H19B 109.1 . . ?
H19A C19 H19B 107.8 . . ?
C25 C20 C21 108.95(13) . . ?
C25 C20 B1 117.84(13) . . ?
C21 C20 B1 105.39(13) . . ?
C25 C20 H20 108.1 . . ?
C21 C20 H20 108.1 . . ?
B1 C20 H20 108.1 . . ?
C22 C21 C20 111.68(15) . . ?
C22 C21 H21A 109.3 . . ?
C20 C21 H21A 109.3 . . ?
C22 C21 H21B 109.3 . . ?
C20 C21 H21B 109.3 . . ?
H21A C21 H21B 107.9 . . ?
C23 C22 C21 111.29(15) . . ?
C23 C22 H22A 109.4 . . ?
C21 C22 H22A 109.4 . . ?
C23 C22 H22B 109.4 . . ?
C21 C22 H22B 109.4 . . ?
H22A C22 H22B 108 . . ?
C22 C23 C24 110.64(15) . . ?
C22 C23 H23A 109.5 . . ?
C24 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C24 C23 H23B 109.5 . . ?
H23A C23 H23B 108.1 . . ?
C23 C24 C25 111.31(15) . . ?
C23 C24 H24A 109.4 . . ?
C25 C24 H24A 109.4 . . ?
C23 C24 H24B 109.4 . . ?
C25 C24 H24B 109.4 . . ?
H24A C24 H24B 108 . . ?
C24 C25 C20 112.16(14) . . ?
C24 C25 H25A 109.2 . . ?
C20 C25 H25A 109.2 . . ?
C24 C25 H25B 109.2 . . ?
C20 C25 H25B 109.2 . . ?
H25A C25 H25B 107.9 . . ?
C1 P1 C10 107.50(9) . . ?
C1 P1 C7 106.33(9) . . ?
C10 P1 C7 106.35(10) . . ?
C1 P1 Au1 115.28(5) . . ?
C10 P1 Au1 109.07(7) . . ?
C7 P1 Au1 111.85(7) . . ?

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
C6 C1 C2 C3 1.3(3) . . . . ?
P1 C1 C2 C3 -175.16(14) . . . . ?
C1 C2 C3 C4 1.1(3) . . . . ?
C2 C3 C4 C5 -1.8(3) . . . . ?
C3 C4 C5 C6 0.2(3) . . . . ?
C2 C1 C6 C5 -2.8(2) . . . . ?
P1 C1 C6 C5 173.62(12) . . . . ?
C2 C1 C6 B1 171.90(16) . . . . ?
P1 C1 C6 B1 -11.6(2) . . . . ?
C4 C5 C6 C1 2.1(2) . . . . ?
C4 C5 C6 B1 -173.26(16) . . . . ?
C20 B1 C6 C1 -94.39(19) . . . . ?
C14 B1 C6 C1 99.9(2) . . . . ?
C20 B1 C6 C5 80.39(18) . . . . ?
C14 B1 C6 C5 -85.29(19) . . . . ?
C20 B1 C14 C19 14.3(2) . . . . ?
C6 B1 C14 C19 179.32(16) . . . . ?
C20 B1 C14 C15 -112.70(18) . . . . ?
C6 B1 C14 C15 52.3(2) . . . . ?
C19 C14 C15 C16 54.4(2) . . . . ?
B1 C14 C15 C16 -175.32(17) . . . . ?
C14 C15 C16 C17 -55.8(3) . . . . ?
C15 C16 C17 C18 55.0(3) . . . . ?
C16 C17 C18 C19 -54.6(3) . . . . ?
C17 C18 C19 C14 55.2(3) . . . . ?
C15 C14 C19 C18 -54.0(2) . . . . ?
B1 C14 C19 C18 177.37(18) . . . . ?
C6 B1 C20 C25 36.7(2) . . . . ?
C14 B1 C20 C25 -157.76(15) . . . . ?
C6 B1 C20 C21 -85.00(17) . . . . ?
C14 B1 C20 C21 80.49(18) . . . . ?
C25 C20 C21 C22 55.11(18) . . . . ?
B1 C20 C21 C22 -177.54(14) . . . . ?
C20 C21 C22 C23 -56.8(2) . . . . ?
C21 C22 C23 C24 56.5(2) . . . . ?
C22 C23 C24 C25 -56.1(2) . . . . ?
C23 C24 C25 C20 56.6(2) . . . . ?
C21 C20 C25 C24 -55.05(19) . . . . ?
B1 C20 C25 C24 -174.96(15) . . . . ?
C2 C1 P1 C10 -43.44(16) . . . . ?
C6 C1 P1 C10 140.05(14) . . . . ?
C2 C1 P1 C7 70.14(16) . . . . ?
C6 C1 P1 C7 -106.37(14) . . . . ?
C2 C1 P1 Au1 -165.29(12) . . . . ?
C6 C1 P1 Au1 18.20(15) . . . . ?
C12 C10 P1 C1 173.10(15) . . . . ?
C11 C10 P1 C1 -64.54(17) . . . . ?
C12 C10 P1 C7 59.53(17) . . . . ?
C11 C10 P1 C7 -178.11(16) . . . . ?
C12 C10 P1 Au1 -61.25(16) . . . . ?
C11 C10 P1 Au1 61.10(17) . . . . ?
C8 C7 P1 C1 65.46(16) . . . . ?
C9 C7 P1 C1 -60.5(2) . . . . ?
C8 C7 P1 C10 179.82(15) . . . . ?
C9 C7 P1 C10 53.8(2) . . . . ?
C8 C7 P1 Au1 -61.20(16) . . . . ?
C9 C7 P1 Au1 172.81(17) . . . . ?

####################################################################### 
# 
# 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_DV906_a
_database_code_depnum_ccdc_archive 'CCDC 2482844'
loop_
_audit_author_name
_audit_author_address
'Sonia Mallet-Ladeira'
;Institut de Chimie de Toulouse CNRS
France
;
_audit_update_record             
;
2025-08-26 deposited with the CCDC.	2025-10-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/2
_shelx_SHELXL_version_number     2019/2
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C18 H29 Au F3 P S'
_chemical_formula_sum            'C18 H29 Au F3 P S'
_chemical_formula_weight         562.41

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 '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                   8.2996(14)
_cell_length_b                   25.654(5)
_cell_length_c                   10.1969(18)
_cell_angle_alpha                90
_cell_angle_beta                 105.659(4)
_cell_angle_gamma                90
_cell_volume                     2090.5(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9964
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      28.33

_exptl_crystal_description       needle
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.787
_exptl_crystal_F_000             1096
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    7.237
_shelx_estimated_absorpt_T_min   0.186
_shelx_estimated_absorpt_T_max   0.714
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5155
_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            65560
_diffrn_reflns_av_unetI/netI     0.0138
_diffrn_reflns_av_R_equivalents  0.0329
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.221
_diffrn_reflns_theta_max         28.383
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             5227
_reflns_number_gt                4705
_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-2019/2 (Sheldrick, 2019)'
_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)+3.6731P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_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         5227
_refine_ls_number_parameters     225
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0290
_refine_ls_R_factor_gt           0.0244
_refine_ls_wR_factor_ref         0.0442
_refine_ls_wR_factor_gt          0.0429
_refine_ls_goodness_of_fit_ref   1.281
_refine_ls_restrained_S_all      1.281
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.24826(2) 0.39693(2) 0.50374(2) 0.02511(4) Uani 1 1 d . . . . .
S1 S 0.44154(11) 0.30182(3) 0.48769(8) 0.03242(17) Uani 1 1 d . . . . .
P1 P 0.24262(9) 0.39817(3) 0.27592(7) 0.01989(14) Uani 1 1 d . . . . .
F1 F 0.1997(3) 0.35438(9) 0.7542(2) 0.0538(6) Uani 1 1 d . . . . .
F2 F 0.3902(3) 0.41223(10) 0.7953(2) 0.0534(6) Uani 1 1 d . . . . .
F3 F 0.1331(4) 0.43466(12) 0.7341(3) 0.0771(9) Uani 1 1 d . . . . .
C1 C 0.2395(5) 0.40064(14) 0.7031(3) 0.0347(7) Uani 1 1 d . . . . .
C2 C 0.3661(3) 0.34565(11) 0.2260(3) 0.0213(5) Uani 1 1 d . . . . .
C3 C 0.4521(3) 0.30692(11) 0.3157(3) 0.0214(5) Uani 1 1 d . . . . .
C4 C 0.5460(4) 0.26915(12) 0.2700(3) 0.0296(7) Uani 1 1 d . . . . .
H4 H 0.603052 0.243134 0.331483 0.035 Uiso 1 1 calc R U . . .
C5 C 0.5573(4) 0.26894(13) 0.1381(3) 0.0334(7) Uani 1 1 d . . . . .
H5 H 0.623498 0.243461 0.109252 0.040 Uiso 1 1 calc R U . . .
C6 C 0.4716(4) 0.30614(13) 0.0477(3) 0.0340(7) Uani 1 1 d . . . . .
H6 H 0.477576 0.306090 -0.044044 0.041 Uiso 1 1 calc R U . . .
C7 C 0.3770(4) 0.34346(12) 0.0911(3) 0.0278(6) Uani 1 1 d . . . . .
H7 H 0.317504 0.368431 0.027513 0.033 Uiso 1 1 calc R U . . .
C8 C 0.3400(4) 0.46102(12) 0.2404(3) 0.0283(7) Uani 1 1 d . . . . .
C9 C 0.2448(5) 0.50646(13) 0.2814(4) 0.0441(9) Uani 1 1 d . . . . .
H9A H 0.307236 0.538870 0.281070 0.066 Uiso 1 1 calc R U . . .
H9B H 0.232192 0.500276 0.372955 0.066 Uiso 1 1 calc R U . . .
H9C H 0.134037 0.509382 0.216526 0.066 Uiso 1 1 calc R U . . .
C10 C 0.3565(7) 0.47004(16) 0.0965(4) 0.0595(13) Uani 1 1 d . . . . .
H10A H 0.245414 0.468756 0.031452 0.089 Uiso 1 1 calc R U . . .
H10B H 0.427571 0.442861 0.073956 0.089 Uiso 1 1 calc R U . . .
H10C H 0.406965 0.504273 0.091768 0.089 Uiso 1 1 calc R U . . .
C11 C 0.5176(5) 0.45981(15) 0.3379(4) 0.0464(9) Uani 1 1 d . . . . .
H11A H 0.581028 0.431107 0.312475 0.070 Uiso 1 1 calc R U . . .
H11B H 0.510558 0.454649 0.431429 0.070 Uiso 1 1 calc R U . . .
H11C H 0.574164 0.492895 0.331880 0.070 Uiso 1 1 calc R U . . .
C12 C 0.0211(4) 0.38739(15) 0.1716(3) 0.0359(8) Uani 1 1 d . . . . .
C13 C -0.0952(5) 0.42362(19) 0.2220(5) 0.0577(12) Uani 1 1 d . . . . .
H13A H -0.077101 0.459649 0.197403 0.086 Uiso 1 1 calc R U . . .
H13B H -0.071442 0.420754 0.321268 0.086 Uiso 1 1 calc R U . . .
H13C H -0.211735 0.413718 0.179864 0.086 Uiso 1 1 calc R U . . .
C14 C -0.0132(6) 0.3946(3) 0.0177(4) 0.094(2) Uani 1 1 d . . . . .
H14A H 0.052593 0.369231 -0.018017 0.141 Uiso 1 1 calc R U . . .
H14B H 0.018373 0.429964 -0.001754 0.141 Uiso 1 1 calc R U . . .
H14C H -0.132538 0.389116 -0.025874 0.141 Uiso 1 1 calc R U . . .
C15 C -0.0192(6) 0.33169(19) 0.2033(6) 0.0765(17) Uani 1 1 d . . . . .
H15A H -0.138566 0.324914 0.163285 0.115 Uiso 1 1 calc R U . . .
H15B H 0.008117 0.326916 0.302234 0.115 Uiso 1 1 calc R U . . .
H15C H 0.047002 0.307384 0.164874 0.115 Uiso 1 1 calc R U . . .
C16 C 0.6621(5) 0.30226(14) 0.5882(3) 0.0384(8) Uani 1 1 d . . . . .
H16 H 0.714360 0.268119 0.576089 0.046 Uiso 1 1 calc R U . . .
C17 C 0.7609(6) 0.34559(19) 0.5472(5) 0.0631(13) Uani 1 1 d . . . . .
H17A H 0.709840 0.379200 0.558044 0.095 Uiso 1 1 calc R U . . .
H17B H 0.760811 0.341018 0.451735 0.095 Uiso 1 1 calc R U . . .
H17C H 0.876264 0.344751 0.604988 0.095 Uiso 1 1 calc R U . . .
C18 C 0.6571(6) 0.30727(18) 0.7358(4) 0.0609(13) Uani 1 1 d . . . . .
H18A H 0.770317 0.302963 0.796051 0.091 Uiso 1 1 calc R U . . .
H18B H 0.583736 0.280311 0.756085 0.091 Uiso 1 1 calc R U . . .
H18C H 0.614205 0.341767 0.750297 0.091 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 2.056(3) . ?
Au1 P1 2.3111(8) . ?
Au1 S1 2.9488(9) . ?
S1 C3 1.784(3) . ?
S1 C16 1.841(4) . ?
P1 C2 1.845(3) . ?
P1 C12 1.880(3) . ?
P1 C8 1.882(3) . ?
F1 C1 1.372(4) . ?
F2 C1 1.379(4) . ?
F3 C1 1.339(4) . ?
C2 C7 1.404(4) . ?
C2 C3 1.407(4) . ?
C3 C4 1.400(4) . ?
C4 C5 1.373(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.383(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.384(4) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C10 1.527(4) . ?
C8 C9 1.529(4) . ?
C8 C11 1.540(5) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
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 C15 1.522(6) . ?
C12 C13 1.526(5) . ?
C12 C14 1.528(5) . ?
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 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.506(6) . ?
C16 C18 1.522(5) . ?
C16 H16 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?

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 P1 175.40(10) . . ?
C1 Au1 S1 104.95(10) . . ?
P1 Au1 S1 79.59(2) . . ?
C3 S1 C16 103.98(15) . . ?
C3 S1 Au1 99.53(9) . . ?
C16 S1 Au1 115.97(12) . . ?
C2 P1 C12 105.52(14) . . ?
C2 P1 C8 105.85(14) . . ?
C12 P1 C8 114.97(16) . . ?
C2 P1 Au1 113.89(9) . . ?
C12 P1 Au1 108.57(11) . . ?
C8 P1 Au1 108.19(9) . . ?
F3 C1 F1 103.4(3) . . ?
F3 C1 F2 103.5(3) . . ?
F1 C1 F2 101.2(3) . . ?
F3 C1 Au1 117.7(2) . . ?
F1 C1 Au1 114.3(2) . . ?
F2 C1 Au1 114.6(2) . . ?
C7 C2 C3 116.9(3) . . ?
C7 C2 P1 119.1(2) . . ?
C3 C2 P1 123.9(2) . . ?
C4 C3 C2 120.2(3) . . ?
C4 C3 S1 117.1(2) . . ?
C2 C3 S1 122.7(2) . . ?
C5 C4 C3 121.4(3) . . ?
C5 C4 H4 119.3 . . ?
C3 C4 H4 119.3 . . ?
C4 C5 C6 119.4(3) . . ?
C4 C5 H5 120.3 . . ?
C6 C5 H5 120.3 . . ?
C5 C6 C7 119.9(3) . . ?
C5 C6 H6 120.1 . . ?
C7 C6 H6 120.1 . . ?
C6 C7 C2 122.2(3) . . ?
C6 C7 H7 118.9 . . ?
C2 C7 H7 118.9 . . ?
C10 C8 C9 109.5(3) . . ?
C10 C8 C11 107.8(3) . . ?
C9 C8 C11 108.3(3) . . ?
C10 C8 P1 118.0(2) . . ?
C9 C8 P1 108.7(2) . . ?
C11 C8 P1 104.1(2) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C15 C12 C13 107.7(3) . . ?
C15 C12 C14 109.9(4) . . ?
C13 C12 C14 108.3(4) . . ?
C15 C12 P1 104.8(3) . . ?
C13 C12 P1 109.3(2) . . ?
C14 C12 P1 116.5(3) . . ?
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 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C18 112.0(4) . . ?
C17 C16 S1 112.6(3) . . ?
C18 C16 S1 105.3(3) . . ?
C17 C16 H16 109.0 . . ?
C18 C16 H16 109.0 . . ?
S1 C16 H16 109.0 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?

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
C12 P1 C2 C7 63.2(3) . . . . ?
C8 P1 C2 C7 -59.0(3) . . . . ?
Au1 P1 C2 C7 -177.8(2) . . . . ?
C12 P1 C2 C3 -116.9(3) . . . . ?
C8 P1 C2 C3 120.8(2) . . . . ?
Au1 P1 C2 C3 2.1(3) . . . . ?
C7 C2 C3 C4 1.3(4) . . . . ?
P1 C2 C3 C4 -178.6(2) . . . . ?
C7 C2 C3 S1 -176.3(2) . . . . ?
P1 C2 C3 S1 3.8(4) . . . . ?
C16 S1 C3 C4 56.3(3) . . . . ?
Au1 S1 C3 C4 176.2(2) . . . . ?
C16 S1 C3 C2 -126.1(3) . . . . ?
Au1 S1 C3 C2 -6.1(2) . . . . ?
C2 C3 C4 C5 0.3(5) . . . . ?
S1 C3 C4 C5 178.0(3) . . . . ?
C3 C4 C5 C6 -1.3(5) . . . . ?
C4 C5 C6 C7 0.7(5) . . . . ?
C5 C6 C7 C2 0.9(5) . . . . ?
C3 C2 C7 C6 -1.9(5) . . . . ?
P1 C2 C7 C6 178.0(3) . . . . ?
C2 P1 C8 C10 55.4(3) . . . . ?
C12 P1 C8 C10 -60.7(3) . . . . ?
Au1 P1 C8 C10 177.8(3) . . . . ?
C2 P1 C8 C9 -179.2(2) . . . . ?
C12 P1 C8 C9 64.7(3) . . . . ?
Au1 P1 C8 C9 -56.8(2) . . . . ?
C2 P1 C8 C11 -64.0(2) . . . . ?
C12 P1 C8 C11 180.0(2) . . . . ?
Au1 P1 C8 C11 58.5(2) . . . . ?
C2 P1 C12 C15 55.7(3) . . . . ?
C8 P1 C12 C15 171.9(3) . . . . ?
Au1 P1 C12 C15 -66.7(3) . . . . ?
C2 P1 C12 C13 170.9(3) . . . . ?
C8 P1 C12 C13 -72.8(3) . . . . ?
Au1 P1 C12 C13 48.5(3) . . . . ?
C2 P1 C12 C14 -66.0(4) . . . . ?
C8 P1 C12 C14 50.3(4) . . . . ?
Au1 P1 C12 C14 171.6(4) . . . . ?
C3 S1 C16 C17 48.4(3) . . . . ?
Au1 S1 C16 C17 -59.8(3) . . . . ?
C3 S1 C16 C18 170.6(3) . . . . ?
Au1 S1 C16 C18 62.5(3) . . . . ?

_refine_diff_density_max         0.544
_refine_diff_density_min         -1.011
_refine_diff_density_rms         0.077

####################################################################### 
# 
# 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_DV850
_database_code_depnum_ccdc_archive 'CCDC 2482843'
loop_
_audit_author_name
_audit_author_address
'Sonia Mallet-Ladeira'
;Institut de Chimie de Toulouse CNRS
France
;
_audit_update_record             
;
2025-08-26 deposited with the CCDC.	2025-10-23 downloaded from the CCDC.
;

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

_chemical_formula_moiety         'C17 H28 Au F3 N P'
_chemical_formula_sum            'C17 H28 Au F3 N P'
_chemical_formula_weight         531.34

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

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   15.6430(11)
_cell_length_b                   8.8608(6)
_cell_length_c                   15.3181(11)
_cell_angle_alpha                90
_cell_angle_beta                 111.893(3)
_cell_angle_gamma                90
_cell_volume                     1970.1(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9989
_cell_measurement_theta_min      2.69
_cell_measurement_theta_max      35.02


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

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_exptl_crystal_density_diffrn    1.791
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1032

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

_exptl_absorpt_coefficient_mu    7.573
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5388
_exptl_absorpt_correction_T_max  0.7469
_exptl_absorpt_process_details   
;Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;

#----------------------------------------------------------------------------#
#                   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  0.0434
_diffrn_reflns_av_unetI/netI     0.0234
_diffrn_reflns_number            91404
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.177
_diffrn_reflns_theta_max         35.03
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_point_group_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.983
_reflns_Friedel_coverage         0
_reflns_number_total             8627
_reflns_number_gt                7239
_reflns_threshold_expression     'I > 2σ(I)'

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

_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT (Sheldrick 2015)'
_computing_structure_refinement  'SHELXL-2019/3 (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
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap

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

_shelx_SHELXL_version_number     2019/3
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0158P)²+1.2486P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         8627
_refine_ls_number_parameters     216
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0271
_refine_ls_R_factor_gt           0.0193
_refine_ls_wR_factor_ref         0.0482
_refine_ls_wR_factor_gt          0.0445
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0
_refine_diff_density_max         0.678
_refine_diff_density_min         -1.187
_refine_diff_density_rms         0.087

#----------------------------------------------------------------------------#
#                   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'
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'

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 0.69054(11) 0.30173(19) 0.22192(11) 0.0283(3) Uani 1 1 d . . . . .
C2 C 0.68716(14) 0.1890(2) 0.15668(12) 0.0394(4) Uani 1 1 d . . . . .
H2 H 0.738438 0.123522 0.169101 0.047 Uiso 1 1 calc R U . . .
C3 C 0.61041(16) 0.1706(3) 0.07405(13) 0.0471(5) Uani 1 1 d . . . . .
H3 H 0.609337 0.092674 0.031075 0.057 Uiso 1 1 calc R U . . .
C4 C 0.53636(15) 0.2654(3) 0.05488(14) 0.0497(5) Uani 1 1 d . . . . .
H4 H 0.483655 0.252822 -0.00124 0.06 Uiso 1 1 calc R U . . .
C5 C 0.53854(14) 0.3794(3) 0.11744(14) 0.0451(5) Uani 1 1 d . . . . .
H5 H 0.487109 0.444967 0.103475 0.054 Uiso 1 1 calc R U . . .
C6 C 0.61489(12) 0.3998(2) 0.20070(12) 0.0316(3) Uani 1 1 d . . . . .
C7 C 0.6115(2) 0.6696(3) 0.2233(2) 0.0648(7) Uani 1 1 d . . . . .
H7A H 0.656717 0.677022 0.193211 0.097 Uiso 1 1 calc R U . . .
H7B H 0.625087 0.745915 0.272972 0.097 Uiso 1 1 calc R U . . .
H7C H 0.54954 0.686654 0.17627 0.097 Uiso 1 1 calc R U . . .
C8 C 0.5477(2) 0.5011(3) 0.3069(2) 0.0571(7) Uani 1 1 d . . . . .
H8A H 0.485811 0.510329 0.258318 0.086 Uiso 1 1 calc R U . . .
H8B H 0.556567 0.579429 0.3547 0.086 Uiso 1 1 calc R U . . .
H8C H 0.554626 0.401413 0.336419 0.086 Uiso 1 1 calc R U . . .
C9 C 0.88775(12) 0.3798(2) 0.28857(12) 0.0343(3) Uani 1 1 d . . . . .
C10 C 0.9233(2) 0.2538(3) 0.2424(2) 0.0658(7) Uani 1 1 d . . . . .
H10A H 0.970573 0.29447 0.221209 0.099 Uiso 1 1 calc R U . . .
H10B H 0.872183 0.213359 0.188371 0.099 Uiso 1 1 calc R U . . .
H10C H 0.950036 0.172995 0.288212 0.099 Uiso 1 1 calc R U . . .
C11 C 0.96888(15) 0.4426(4) 0.37289(16) 0.0549(6) Uani 1 1 d . . . . .
H11A H 1.016135 0.481646 0.351183 0.082 Uiso 1 1 calc R U . . .
H11B H 0.99521 0.361797 0.418815 0.082 Uiso 1 1 calc R U . . .
H11C H 0.946985 0.524176 0.402415 0.082 Uiso 1 1 calc R U . . .
C12 C 0.84921(19) 0.5088(3) 0.2187(2) 0.0545(6) Uani 1 1 d . . . . .
H12A H 0.824163 0.587155 0.247542 0.082 Uiso 1 1 calc R U . . .
H12B H 0.800176 0.470249 0.162087 0.082 Uiso 1 1 calc R U . . .
H12C H 0.898558 0.551704 0.201543 0.082 Uiso 1 1 calc R U . . .
C13 C 0.81095(14) 0.13663(19) 0.39244(12) 0.0327(3) Uani 1 1 d . . . . .
C14 C 0.72714(17) 0.1209(3) 0.42167(19) 0.0529(6) Uani 1 1 d . . . . .
H14A H 0.733504 0.028896 0.4591 0.079 Uiso 1 1 calc R U . . .
H14B H 0.670668 0.115021 0.365262 0.079 Uiso 1 1 calc R U . . .
H14C H 0.723964 0.208709 0.459226 0.079 Uiso 1 1 calc R U . . .
C15 C 0.8165(3) -0.0049(2) 0.3374(2) 0.0669(10) Uani 1 1 d . . . . .
H15A H 0.86443 0.008723 0.311298 0.1 Uiso 1 1 calc R U . . .
H15B H 0.757013 -0.021579 0.286124 0.1 Uiso 1 1 calc R U . . .
H15C H 0.831649 -0.09228 0.379663 0.1 Uiso 1 1 calc R U . . .
C16 C 0.89785(17) 0.1482(3) 0.48146(15) 0.0508(5) Uani 1 1 d . . . . .
H16A H 0.901089 0.06146 0.522239 0.076 Uiso 1 1 calc R U . . .
H16B H 0.895942 0.241636 0.514951 0.076 Uiso 1 1 calc R U . . .
H16C H 0.952246 0.149057 0.464277 0.076 Uiso 1 1 calc R U . . .
C17 C 0.77352(15) 0.6643(2) 0.52707(13) 0.0374(4) Uani 1 1 d . . . . .
Au1 Au 0.77906(2) 0.50538(2) 0.43160(2) 0.02677(2) Uani 1 1 d . . . . .
F1 F 0.69173(11) 0.7371(2) 0.50416(14) 0.0841(6) Uani 1 1 d . . . . .
F2 F 0.83365(11) 0.78137(13) 0.54068(9) 0.0521(3) Uani 1 1 d . . . . .
F3 F 0.79449(15) 0.61386(16) 0.61685(10) 0.0731(5) Uani 1 1 d . . . . .
N1 N 0.61618(12) 0.51938(18) 0.26426(13) 0.0374(3) Uani 1 1 d . . . . .
P1 P 0.79313(3) 0.32338(5) 0.32973(3) 0.02407(7) Uani 1 1 d . . . . .



#----------------------------------------------------------------------------#
#                   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 1.400(2) . ?
C1 C6 1.405(2) . ?
C1 P1 1.8339(16) . ?
C2 C3 1.392(3) . ?
C2 H2 0.95 . ?
C3 C4 1.371(4) . ?
C3 H3 0.95 . ?
C4 C5 1.384(3) . ?
C4 H4 0.95 . ?
C5 C6 1.396(3) . ?
C5 H5 0.95 . ?
C6 N1 1.434(3) . ?
C7 N1 1.462(3) . ?
C7 H7A 0.98 . ?
C7 H7B 0.98 . ?
C7 H7C 0.98 . ?
C8 N1 1.457(3) . ?
C8 H8A 0.98 . ?
C8 H8B 0.98 . ?
C8 H8C 0.98 . ?
C9 C12 1.528(3) . ?
C9 C10 1.533(3) . ?
C9 C11 1.538(3) . ?
C9 P1 1.8800(18) . ?
C10 H10A 0.98 . ?
C10 H10B 0.98 . ?
C10 H10C 0.98 . ?
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 C16 1.528(3) . ?
C13 C15 1.531(3) . ?
C13 C14 1.542(3) . ?
C13 P1 1.8812(17) . ?
C14 H14A 0.98 . ?
C14 H14B 0.98 . ?
C14 H14C 0.98 . ?
C15 H15A 0.98 . ?
C15 H15B 0.98 . ?
C15 H15C 0.98 . ?
C16 H16A 0.98 . ?
C16 H16B 0.98 . ?
C16 H16C 0.98 . ?
C17 F1 1.357(3) . ?
C17 F2 1.363(2) . ?
C17 F3 1.365(2) . ?
C17 Au1 2.0549(18) . ?
Au1 P1 2.3109(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 C6 118.15(15) . . ?
C2 C1 P1 120.33(14) . . ?
C6 C1 P1 121.48(13) . . ?
C3 C2 C1 121.5(2) . . ?
C3 C2 H2 119.2 . . ?
C1 C2 H2 119.2 . . ?
C4 C3 C2 119.8(2) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C3 C4 C5 119.86(18) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C4 C5 C6 121.3(2) . . ?
C4 C5 H5 119.4 . . ?
C6 C5 H5 119.4 . . ?
C5 C6 C1 119.39(18) . . ?
C5 C6 N1 120.44(17) . . ?
C1 C6 N1 120.17(15) . . ?
N1 C7 H7A 109.5 . . ?
N1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
N1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C12 C9 C10 109.8(2) . . ?
C12 C9 C11 107.7(2) . . ?
C10 C9 C11 108.8(2) . . ?
C12 C9 P1 106.24(14) . . ?
C10 C9 P1 115.31(16) . . ?
C11 C9 P1 108.71(13) . . ?
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 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C16 C13 C15 109.4(2) . . ?
C16 C13 C14 108.47(17) . . ?
C15 C13 C14 108.3(2) . . ?
C16 C13 P1 108.03(14) . . ?
C15 C13 P1 117.86(14) . . ?
C14 C13 P1 104.35(13) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
F1 C17 F2 101.98(16) . . ?
F1 C17 F3 105.39(18) . . ?
F2 C17 F3 101.66(16) . . ?
F1 C17 Au1 115.32(14) . . ?
F2 C17 Au1 114.87(13) . . ?
F3 C17 Au1 115.78(13) . . ?
C17 Au1 P1 176.93(6) . . ?
C6 N1 C8 113.33(17) . . ?
C6 N1 C7 113.31(19) . . ?
C8 N1 C7 111.5(2) . . ?
C1 P1 C9 105.06(8) . . ?
C1 P1 C13 106.33(8) . . ?
C9 P1 C13 114.83(8) . . ?
C1 P1 Au1 114.17(6) . . ?
C9 P1 Au1 109.02(6) . . ?
C13 P1 Au1 107.60(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
C6 C1 C2 C3 -1.8(3) . . . . ?
P1 C1 C2 C3 -179.62(16) . . . . ?
C1 C2 C3 C4 0.7(3) . . . . ?
C2 C3 C4 C5 0.4(3) . . . . ?
C3 C4 C5 C6 -0.4(3) . . . . ?
C4 C5 C6 C1 -0.7(3) . . . . ?
C4 C5 C6 N1 179.5(2) . . . . ?
C2 C1 C6 C5 1.8(3) . . . . ?
P1 C1 C6 C5 179.60(15) . . . . ?
C2 C1 C6 N1 -178.45(17) . . . . ?
P1 C1 C6 N1 -0.6(2) . . . . ?
C5 C6 N1 C8 65.6(3) . . . . ?
C1 C6 N1 C8 -114.2(2) . . . . ?
C5 C6 N1 C7 -62.7(3) . . . . ?
C1 C6 N1 C7 117.5(2) . . . . ?
C2 C1 P1 C9 64.73(16) . . . . ?
C6 C1 P1 C9 -113.06(15) . . . . ?
C2 C1 P1 C13 -57.41(16) . . . . ?
C6 C1 P1 C13 124.80(14) . . . . ?
C2 C1 P1 Au1 -175.89(13) . . . . ?
C6 C1 P1 Au1 6.32(16) . . . . ?
C12 C9 P1 C1 48.88(17) . . . . ?
C10 C9 P1 C1 -72.93(19) . . . . ?
C11 C9 P1 C1 164.59(16) . . . . ?
C12 C9 P1 C13 165.32(15) . . . . ?
C10 C9 P1 C13 43.5(2) . . . . ?
C11 C9 P1 C13 -78.97(18) . . . . ?
C12 C9 P1 Au1 -73.88(16) . . . . ?
C10 C9 P1 Au1 164.30(17) . . . . ?
C11 C9 P1 Au1 41.82(17) . . . . ?
C16 C13 P1 C1 178.23(14) . . . . ?
C15 C13 P1 C1 53.7(2) . . . . ?
C14 C13 P1 C1 -66.48(15) . . . . ?
C16 C13 P1 C9 62.52(16) . . . . ?
C15 C13 P1 C9 -62.0(2) . . . . ?
C14 C13 P1 C9 177.80(14) . . . . ?
C16 C13 P1 Au1 -59.05(14) . . . . ?
C15 C13 P1 Au1 176.4(2) . . . . ?
C14 C13 P1 Au1 56.23(15) . . . . ?

