# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

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#                                CCDC 
# 
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#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
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#  fide research purposes only. It may contain copyright material
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data_cat3



_audit_creation_method           SHELXL-2014
_chemical_name_systematic        ?
_chemical_name_common            1
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C46 H28 Au2 Cl4 F6 N2 P2'
_chemical_formula_weight         1320.38

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   12.1417(4)
_cell_length_b                   14.0807(4)
_cell_length_c                   14.7208(4)
_cell_angle_alpha                112.3340(10)
_cell_angle_beta                 106.4260(10)
_cell_angle_gamma                93.7410(10)
_cell_volume                     2190.20(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    8472
_cell_measurement_theta_min      2.31
_cell_measurement_theta_max      29.09

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.002
_exptl_crystal_F_000             1256
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.340
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.230
_exptl_absorpt_coefficient_mu    7.070
_shelx_estimated_absorpt_T_min   0.197
_shelx_estimated_absorpt_T_max   0.293
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.197
_exptl_absorpt_correction_T_max  0.293
_exptl_absorpt_process_details   SADABS

_exptl_special_details           ?

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            46019
_diffrn_reflns_av_unetI/netI     0.0476
_diffrn_reflns_av_R_equivalents  0.0592
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.586
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             10052
_reflns_number_gt                8142
_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    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_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)+(0.0178P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.00009(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         10052
_refine_ls_number_parameters     560
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0416
_refine_ls_R_factor_gt           0.0286
_refine_ls_wR_factor_ref         0.0540
_refine_ls_wR_factor_gt          0.0513
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_restrained_S_all      1.003
_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 -0.32245(2) -0.05300(2) -0.15845(2) 0.01746(5) Uani 1 1 d . . . . .
P1 P -0.46757(8) -0.19457(8) -0.21688(8) 0.0156(2) Uani 1 1 d . . . . .
N1 N -0.6977(3) -0.2293(3) -0.2268(3) 0.0355(10) Uani 1 1 d . . . . .
Cl1 Cl -0.19292(10) 0.39069(9) 0.05220(10) 0.0381(3) Uani 1 1 d . . . . .
Cl2 Cl 0.12992(9) 0.18103(9) -0.07338(10) 0.0369(3) Uani 1 1 d . . . . .
F1 F -0.33843(19) 0.18222(19) -0.04593(19) 0.0298(6) Uani 1 1 d . . . . .
F2 F 0.0342(2) 0.36428(18) 0.0228(2) 0.0316(6) Uani 1 1 d . . . . .
F3 F -0.05235(19) -0.00163(18) -0.1463(2) 0.0301(6) Uani 1 1 d . . . . .
C1 C -0.2017(3) 0.0828(3) -0.0990(3) 0.0176(9) Uani 1 1 d . . . . .
C2 C -0.2288(3) 0.1787(3) -0.0521(3) 0.0192(9) Uani 1 1 d . . . . .
C3 C -0.1539(3) 0.2737(3) -0.0097(3) 0.0224(9) Uani 1 1 d . . . . .
C4 C -0.0431(3) 0.2731(3) -0.0171(3) 0.0206(9) Uani 1 1 d . . . . .
C5 C -0.0087(3) 0.1798(3) -0.0640(3) 0.0206(9) Uani 1 1 d . . . . .
C6 C -0.0887(3) 0.0882(3) -0.1026(3) 0.0192(9) Uani 1 1 d . . . . .
C7 C -0.5995(3) -0.1538(3) -0.1920(3) 0.0171(9) Uani 1 1 d . . . . .
C8 C -0.5981(4) -0.0498(3) -0.1380(3) 0.0269(10) Uani 1 1 d . . . . .
H8A H -0.5289 0.0006 -0.1150 0.032 Uiso 1 1 calc R U . . .
C9 C -0.6973(4) -0.0178(4) -0.1170(4) 0.0362(12) Uani 1 1 d . . . . .
H9A H -0.6965 0.0540 -0.0790 0.043 Uiso 1 1 calc R U . . .
C10 C -0.7972(4) -0.0925(4) -0.1524(4) 0.0367(12) Uani 1 1 d . . . . .
H10A H -0.8663 -0.0724 -0.1394 0.044 Uiso 1 1 calc R U . . .
C11 C -0.7960(4) -0.1968(4) -0.2071(4) 0.0310(11) Uani 1 1 d . . . . .
H11A H -0.8654 -0.2475 -0.2317 0.037 Uiso 1 1 calc R U . . .
C12 C -0.4319(3) -0.2824(3) -0.1533(3) 0.0151(8) Uani 1 1 d . . . . .
C13 C -0.3603(3) -0.3510(3) -0.1867(3) 0.0127(8) Uani 1 1 d . . . . .
H13A H -0.3354 -0.3533 -0.2431 0.015 Uiso 1 1 calc R U . . .
C14 C -0.3254(3) -0.4153(3) -0.1385(3) 0.0205(9) Uani 1 1 d . . . . .
H14A H -0.2756 -0.4617 -0.1611 0.025 Uiso 1 1 calc R U . . .
C15 C -0.3621(3) -0.4136(3) -0.0569(3) 0.0231(10) Uani 1 1 d . . . . .
H15A H -0.3391 -0.4595 -0.0247 0.028 Uiso 1 1 calc R U . . .
C16 C -0.4331(3) -0.3438(3) -0.0225(3) 0.0218(9) Uani 1 1 d . . . . .
H16A H -0.4578 -0.3415 0.0340 0.026 Uiso 1 1 calc R U . . .
C17 C -0.4676(3) -0.2781(3) -0.0703(3) 0.0196(9) Uani 1 1 d . . . . .
H17A H -0.5154 -0.2301 -0.0466 0.024 Uiso 1 1 calc R U . . .
C18 C -0.5116(3) -0.2787(3) -0.3546(3) 0.0179(9) Uani 1 1 d . . . . .
C19 C -0.4694(3) -0.2458(3) -0.4185(3) 0.0198(9) Uani 1 1 d . . . . .
H19A H -0.4155 -0.1814 -0.3891 0.024 Uiso 1 1 calc R U . . .
C20 C -0.5054(4) -0.3066(4) -0.5244(3) 0.0297(11) Uani 1 1 d . . . . .
H20A H -0.4775 -0.2834 -0.5681 0.036 Uiso 1 1 calc R U . . .
C21 C -0.5819(4) -0.4011(4) -0.5667(3) 0.0307(11) Uani 1 1 d . . . . .
H21A H -0.6079 -0.4430 -0.6396 0.037 Uiso 1 1 calc R U . . .
C22 C -0.6200(4) -0.4336(3) -0.5020(4) 0.0358(12) Uani 1 1 d . . . . .
H22A H -0.6707 -0.4997 -0.5307 0.043 Uiso 1 1 calc R U . . .
C23 C -0.5863(3) -0.3728(3) -0.3963(3) 0.0239(10) Uani 1 1 d . . . . .
H23A H -0.6148 -0.3961 -0.3530 0.029 Uiso 1 1 calc R U . . .
Au2 Au -0.78681(2) -0.92592(2) -0.58596(2) 0.01677(5) Uani 1 1 d . . . . .
P2 P -0.87290(8) -0.78547(8) -0.53136(8) 0.0156(2) Uani 1 1 d . . . . .
N2 N -1.0841(3) -0.7518(4) -0.5075(3) 0.0410(11) Uani 1 1 d . . . . .
C46 C -0.8700(3) -0.7481(3) -0.7019(3) 0.0208(9) Uani 1 1 d . . . . .
H46A H -0.8453 -0.8133 -0.7244 0.025 Uiso 1 1 calc R U . . .
Cl3 Cl -0.44328(9) -1.17114(9) -0.69815(10) 0.0357(3) Uani 1 1 d . . . . .
Cl4 Cl -0.88261(10) -1.36833(8) -0.79476(10) 0.0336(3) Uani 1 1 d . . . . .
F4 F -0.53313(19) -0.98408(17) -0.60169(19) 0.0269(6) Uani 1 1 d . . . . .
F5 F -0.6366(2) -1.34809(18) -0.7860(2) 0.0333(6) Uani 1 1 d . . . . .
F6 F -0.91895(19) -1.15716(18) -0.69155(19) 0.0260(6) Uani 1 1 d . . . . .
C24 C -0.7284(3) -1.0629(3) -0.6433(3) 0.0192(9) Uani 1 1 d . . . . .
C25 C -0.6167(3) -1.0717(3) -0.6462(3) 0.0195(9) Uani 1 1 d . . . . .
C26 C -0.5831(3) -1.1653(3) -0.6941(3) 0.0210(9) Uani 1 1 d . . . . .
C27 C -0.6664(3) -1.2558(3) -0.7395(3) 0.0218(9) Uani 1 1 d . . . . .
C28 C -0.7800(3) -1.2540(3) -0.7381(3) 0.0210(9) Uani 1 1 d . . . . .
C29 C -0.8062(3) -1.1569(3) -0.6903(3) 0.0185(9) Uani 1 1 d . . . . .
C30 C -1.0234(3) -0.8289(3) -0.5445(3) 0.0199(9) Uani 1 1 d . . . . .
C31 C -1.0728(4) -0.9340(4) -0.5945(4) 0.0331(12) Uani 1 1 d . . . . .
H31A H -1.0278 -0.9843 -0.6195 0.040 Uiso 1 1 calc R U . . .
C32 C -1.1886(4) -0.9652(5) -0.6080(4) 0.0515(16) Uani 1 1 d . . . . .
H32A H -1.2231 -1.0376 -0.6412 0.062 Uiso 1 1 calc R U . . .
C33 C -1.2531(4) -0.8931(6) -0.5741(4) 0.0509(17) Uani 1 1 d . . . . .
H33A H -1.3332 -0.9145 -0.5844 0.061 Uiso 1 1 calc R U . . .
C34 C -1.2016(4) -0.7882(5) -0.5245(4) 0.0479(16) Uani 1 1 d . . . . .
H34A H -1.2478 -0.7385 -0.5008 0.058 Uiso 1 1 calc R U . . .
C35 C -0.8041(3) -0.6950(3) -0.3960(3) 0.0167(8) Uani 1 1 d . . . . .
C36 C -0.8348(4) -0.7098(3) -0.3181(3) 0.0239(10) Uani 1 1 d . . . . .
H36A H -0.8990 -0.7633 -0.3358 0.029 Uiso 1 1 calc R U . . .
C37 C -0.7725(4) -0.6468(3) -0.2144(3) 0.0269(10) Uani 1 1 d . . . . .
H37A H -0.7936 -0.6571 -0.1609 0.032 Uiso 1 1 calc R U . . .
C38 C -0.6794(4) -0.5687(3) -0.1892(3) 0.0252(10) Uani 1 1 d . . . . .
H38A H -0.6355 -0.5256 -0.1183 0.030 Uiso 1 1 calc R U . . .
C39 C -0.6504(4) -0.5538(3) -0.2685(3) 0.0272(10) Uani 1 1 d . . . . .
H39A H -0.5873 -0.4995 -0.2515 0.033 Uiso 1 1 calc R U . . .
C40 C -0.7120(3) -0.6168(3) -0.3708(3) 0.0211(9) Uani 1 1 d . . . . .
H40A H -0.6912 -0.6065 -0.4245 0.025 Uiso 1 1 calc R U . . .
C41 C -0.8855(3) -0.7067(3) -0.6059(3) 0.0144(8) Uani 1 1 d . . . . .
C42 C -0.9184(4) -0.6108(3) -0.5722(3) 0.0251(10) Uani 1 1 d . . . . .
H42A H -0.9288 -0.5817 -0.5062 0.030 Uiso 1 1 calc R U . . .
C43 C -0.9361(4) -0.5573(4) -0.6353(4) 0.0351(12) Uani 1 1 d . . . . .
H43A H -0.9575 -0.4907 -0.6116 0.042 Uiso 1 1 calc R U . . .
C44 C -0.9233(4) -0.5992(4) -0.7318(4) 0.0319(11) Uani 1 1 d . . . . .
H44A H -0.9370 -0.5622 -0.7748 0.038 Uiso 1 1 calc R U . . .
C45 C -0.8904(4) -0.6947(4) -0.7657(3) 0.0267(10) Uani 1 1 d . . . . .
H45A H -0.8816 -0.7241 -0.8324 0.032 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 2.052(4) . ?
Au1 P1 2.2803(10) . ?
P1 C18 1.810(4) . ?
P1 C12 1.821(4) . ?
P1 C7 1.822(4) . ?
N1 C7 1.374(5) . ?
N1 C11 1.374(5) . ?
Cl1 C3 1.724(4) . ?
Cl2 C5 1.727(4) . ?
F1 C2 1.363(4) . ?
F2 C4 1.353(4) . ?
F3 C6 1.350(4) . ?
C1 C2 1.373(5) . ?
C1 C6 1.386(5) . ?
C2 C3 1.376(5) . ?
C3 C4 1.380(5) . ?
C4 C5 1.387(5) . ?
C5 C6 1.377(5) . ?
C7 C8 1.372(5) . ?
C8 C9 1.387(6) . ?
C8 H8A 0.9500 . ?
C9 C10 1.382(6) . ?
C9 H9A 0.9500 . ?
C10 C11 1.384(6) . ?
C10 H10A 0.9500 . ?
C11 H11A 0.9500 . ?
C12 C13 1.386(5) . ?
C12 C17 1.389(5) . ?
C13 C14 1.369(5) . ?
C13 H13A 0.9500 . ?
C14 C15 1.387(6) . ?
C14 H14A 0.9500 . ?
C15 C16 1.395(6) . ?
C15 H15A 0.9500 . ?
C16 C17 1.381(5) . ?
C16 H16A 0.9500 . ?
C17 H17A 0.9500 . ?
C18 C23 1.366(5) . ?
C18 C19 1.391(5) . ?
C19 C20 1.381(6) . ?
C19 H19A 0.9500 . ?
C20 C21 1.379(6) . ?
C20 H20A 0.9500 . ?
C21 C22 1.372(6) . ?
C21 H21A 0.9500 . ?
C22 C23 1.379(6) . ?
C22 H22A 0.9500 . ?
C23 H23A 0.9500 . ?
Au2 C24 2.053(4) . ?
Au2 P2 2.2775(10) . ?
P2 C35 1.812(4) . ?
P2 C41 1.820(4) . ?
P2 C30 1.820(4) . ?
N2 C30 1.379(5) . ?
N2 C34 1.402(6) . ?
C46 C41 1.382(5) . ?
C46 C45 1.393(6) . ?
C46 H46A 0.9500 . ?
Cl3 C26 1.721(4) . ?
Cl4 C28 1.723(4) . ?
F4 C25 1.352(4) . ?
F5 C27 1.346(4) . ?
F6 C29 1.364(4) . ?
C24 C29 1.375(5) . ?
C24 C25 1.381(5) . ?
C25 C26 1.388(5) . ?
C26 C27 1.378(5) . ?
C27 C28 1.387(5) . ?
C28 C29 1.385(6) . ?
C30 C31 1.377(6) . ?
C31 C32 1.380(6) . ?
C31 H31A 0.9500 . ?
C32 C33 1.355(8) . ?
C32 H32A 0.9500 . ?
C33 C34 1.381(8) . ?
C33 H33A 0.9500 . ?
C34 H34A 0.9500 . ?
C35 C40 1.377(5) . ?
C35 C36 1.381(5) . ?
C36 C37 1.386(6) . ?
C36 H36A 0.9500 . ?
C37 C38 1.384(6) . ?
C37 H37A 0.9500 . ?
C38 C39 1.393(6) . ?
C38 H38A 0.9500 . ?
C39 C40 1.369(6) . ?
C39 H39A 0.9500 . ?
C40 H40A 0.9500 . ?
C41 C42 1.379(5) . ?
C42 C43 1.384(6) . ?
C42 H42A 0.9500 . ?
C43 C44 1.374(6) . ?
C43 H43A 0.9500 . ?
C44 C45 1.375(6) . ?
C44 H44A 0.9500 . ?
C45 H45A 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Au1 P1 174.55(11) . . ?
C18 P1 C12 104.34(18) . . ?
C18 P1 C7 106.29(18) . . ?
C12 P1 C7 104.99(17) . . ?
C18 P1 Au1 115.51(13) . . ?
C12 P1 Au1 114.00(12) . . ?
C7 P1 Au1 110.85(13) . . ?
C7 N1 C11 117.5(4) . . ?
C2 C1 C6 113.9(3) . . ?
C2 C1 Au1 121.2(3) . . ?
C6 C1 Au1 124.9(3) . . ?
F1 C2 C1 118.6(3) . . ?
F1 C2 C3 115.9(3) . . ?
C1 C2 C3 125.5(4) . . ?
C2 C3 C4 117.4(4) . . ?
C2 C3 Cl1 122.7(3) . . ?
C4 C3 Cl1 119.9(3) . . ?
F2 C4 C3 120.1(4) . . ?
F2 C4 C5 119.0(3) . . ?
C3 C4 C5 120.9(4) . . ?
C6 C5 C4 117.7(3) . . ?
C6 C5 Cl2 122.2(3) . . ?
C4 C5 Cl2 120.0(3) . . ?
F3 C6 C5 116.5(3) . . ?
F3 C6 C1 118.9(3) . . ?
C5 C6 C1 124.6(4) . . ?
N1 C7 C8 121.8(4) . . ?
N1 C7 P1 118.5(3) . . ?
C8 C7 P1 119.7(3) . . ?
C7 C8 C9 120.3(4) . . ?
C7 C8 H8A 119.8 . . ?
C9 C8 H8A 119.8 . . ?
C10 C9 C8 118.7(4) . . ?
C10 C9 H9A 120.7 . . ?
C8 C9 H9A 120.7 . . ?
C9 C10 C11 119.6(4) . . ?
C9 C10 H10A 120.2 . . ?
C11 C10 H10A 120.2 . . ?
N1 C11 C10 122.0(4) . . ?
N1 C11 H11A 119.0 . . ?
C10 C11 H11A 119.0 . . ?
C13 C12 C17 120.2(4) . . ?
C13 C12 P1 117.1(3) . . ?
C17 C12 P1 122.6(3) . . ?
C14 C13 C12 119.9(4) . . ?
C14 C13 H13A 120.0 . . ?
C12 C13 H13A 120.0 . . ?
C13 C14 C15 120.6(4) . . ?
C13 C14 H14A 119.7 . . ?
C15 C14 H14A 119.7 . . ?
C14 C15 C16 119.4(4) . . ?
C14 C15 H15A 120.3 . . ?
C16 C15 H15A 120.3 . . ?
C17 C16 C15 120.1(4) . . ?
C17 C16 H16A 120.0 . . ?
C15 C16 H16A 120.0 . . ?
C16 C17 C12 119.7(4) . . ?
C16 C17 H17A 120.1 . . ?
C12 C17 H17A 120.1 . . ?
C23 C18 C19 119.9(4) . . ?
C23 C18 P1 121.0(3) . . ?
C19 C18 P1 119.1(3) . . ?
C20 C19 C18 120.2(4) . . ?
C20 C19 H19A 119.9 . . ?
C18 C19 H19A 119.9 . . ?
C21 C20 C19 119.9(4) . . ?
C21 C20 H20A 120.1 . . ?
C19 C20 H20A 120.1 . . ?
C22 C21 C20 119.1(4) . . ?
C22 C21 H21A 120.5 . . ?
C20 C21 H21A 120.5 . . ?
C21 C22 C23 121.6(4) . . ?
C21 C22 H22A 119.2 . . ?
C23 C22 H22A 119.2 . . ?
C18 C23 C22 119.3(4) . . ?
C18 C23 H23A 120.3 . . ?
C22 C23 H23A 120.3 . . ?
C24 Au2 P2 173.35(11) . . ?
C35 P2 C41 106.09(17) . . ?
C35 P2 C30 105.37(18) . . ?
C41 P2 C30 104.16(17) . . ?
C35 P2 Au2 114.92(13) . . ?
C41 P2 Au2 115.18(13) . . ?
C30 P2 Au2 110.15(14) . . ?
C30 N2 C34 114.8(4) . . ?
C41 C46 C45 120.2(4) . . ?
C41 C46 H46A 119.9 . . ?
C45 C46 H46A 119.9 . . ?
C29 C24 C25 114.2(4) . . ?
C29 C24 Au2 119.5(3) . . ?
C25 C24 Au2 126.2(3) . . ?
F4 C25 C24 119.0(3) . . ?
F4 C25 C26 116.4(3) . . ?
C24 C25 C26 124.6(4) . . ?
C27 C26 C25 117.5(4) . . ?
C27 C26 Cl3 119.9(3) . . ?
C25 C26 Cl3 122.6(3) . . ?
F5 C27 C26 119.1(3) . . ?
F5 C27 C28 119.4(3) . . ?
C26 C27 C28 121.5(4) . . ?
C29 C28 C27 117.0(4) . . ?
C29 C28 Cl4 122.3(3) . . ?
C27 C28 Cl4 120.7(3) . . ?
F6 C29 C24 119.0(4) . . ?
F6 C29 C28 115.7(3) . . ?
C24 C29 C28 125.2(4) . . ?
C31 C30 N2 123.3(4) . . ?
C31 C30 P2 119.9(3) . . ?
N2 C30 P2 116.6(3) . . ?
C30 C31 C32 119.2(5) . . ?
C30 C31 H31A 120.4 . . ?
C32 C31 H31A 120.4 . . ?
C33 C32 C31 120.2(5) . . ?
C33 C32 H32A 119.9 . . ?
C31 C32 H32A 119.9 . . ?
C32 C33 C34 119.4(5) . . ?
C32 C33 H33A 120.3 . . ?
C34 C33 H33A 120.3 . . ?
C33 C34 N2 122.9(5) . . ?
C33 C34 H34A 118.5 . . ?
N2 C34 H34A 118.5 . . ?
C40 C35 C36 120.1(4) . . ?
C40 C35 P2 118.5(3) . . ?
C36 C35 P2 121.1(3) . . ?
C35 C36 C37 120.3(4) . . ?
C35 C36 H36A 119.8 . . ?
C37 C36 H36A 119.8 . . ?
C38 C37 C36 119.5(4) . . ?
C38 C37 H37A 120.2 . . ?
C36 C37 H37A 120.2 . . ?
C37 C38 C39 119.5(4) . . ?
C37 C38 H38A 120.2 . . ?
C39 C38 H38A 120.2 . . ?
C40 C39 C38 120.6(4) . . ?
C40 C39 H39A 119.7 . . ?
C38 C39 H39A 119.7 . . ?
C39 C40 C35 120.0(4) . . ?
C39 C40 H40A 120.0 . . ?
C35 C40 H40A 120.0 . . ?
C42 C41 C46 119.8(4) . . ?
C42 C41 P2 121.4(3) . . ?
C46 C41 P2 118.6(3) . . ?
C41 C42 C43 119.5(4) . . ?
C41 C42 H42A 120.3 . . ?
C43 C42 H42A 120.3 . . ?
C44 C43 C42 121.0(4) . . ?
C44 C43 H43A 119.5 . . ?
C42 C43 H43A 119.5 . . ?
C45 C44 C43 119.7(4) . . ?
C45 C44 H44A 120.1 . . ?
C43 C44 H44A 120.1 . . ?
C44 C45 C46 119.8(4) . . ?
C44 C45 H45A 120.1 . . ?
C46 C45 H45A 120.1 . . ?

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 F1 179.0(3) . . . . ?
Au1 C1 C2 F1 -0.3(5) . . . . ?
C6 C1 C2 C3 -1.0(6) . . . . ?
Au1 C1 C2 C3 179.7(3) . . . . ?
F1 C2 C3 C4 -178.3(4) . . . . ?
C1 C2 C3 C4 1.8(7) . . . . ?
F1 C2 C3 Cl1 2.3(5) . . . . ?
C1 C2 C3 Cl1 -177.6(3) . . . . ?
C2 C3 C4 F2 179.7(4) . . . . ?
Cl1 C3 C4 F2 -0.9(6) . . . . ?
C2 C3 C4 C5 -1.3(6) . . . . ?
Cl1 C3 C4 C5 178.2(3) . . . . ?
F2 C4 C5 C6 179.2(4) . . . . ?
C3 C4 C5 C6 0.1(6) . . . . ?
F2 C4 C5 Cl2 -1.4(5) . . . . ?
C3 C4 C5 Cl2 179.5(3) . . . . ?
C4 C5 C6 F3 -179.0(4) . . . . ?
Cl2 C5 C6 F3 1.6(5) . . . . ?
C4 C5 C6 C1 0.7(6) . . . . ?
Cl2 C5 C6 C1 -178.7(3) . . . . ?
C2 C1 C6 F3 179.4(3) . . . . ?
Au1 C1 C6 F3 -1.3(5) . . . . ?
C2 C1 C6 C5 -0.3(6) . . . . ?
Au1 C1 C6 C5 179.0(3) . . . . ?
C11 N1 C7 C8 1.0(6) . . . . ?
C11 N1 C7 P1 179.9(3) . . . . ?
C18 P1 C7 N1 50.7(4) . . . . ?
C12 P1 C7 N1 -59.5(4) . . . . ?
Au1 P1 C7 N1 176.9(3) . . . . ?
C18 P1 C7 C8 -130.3(3) . . . . ?
C12 P1 C7 C8 119.5(3) . . . . ?
Au1 P1 C7 C8 -4.1(4) . . . . ?
N1 C7 C8 C9 0.0(7) . . . . ?
P1 C7 C8 C9 -178.9(3) . . . . ?
C7 C8 C9 C10 -0.7(7) . . . . ?
C8 C9 C10 C11 0.4(7) . . . . ?
C7 N1 C11 C10 -1.3(6) . . . . ?
C9 C10 C11 N1 0.6(7) . . . . ?
C18 P1 C12 C13 47.9(3) . . . . ?
C7 P1 C12 C13 159.5(3) . . . . ?
Au1 P1 C12 C13 -79.0(3) . . . . ?
C18 P1 C12 C17 -136.1(3) . . . . ?
C7 P1 C12 C17 -24.5(4) . . . . ?
Au1 P1 C12 C17 97.0(3) . . . . ?
C17 C12 C13 C14 0.6(5) . . . . ?
P1 C12 C13 C14 176.7(3) . . . . ?
C12 C13 C14 C15 0.7(6) . . . . ?
C13 C14 C15 C16 -1.4(6) . . . . ?
C14 C15 C16 C17 0.8(6) . . . . ?
C15 C16 C17 C12 0.5(6) . . . . ?
C13 C12 C17 C16 -1.2(5) . . . . ?
P1 C12 C17 C16 -177.1(3) . . . . ?
C12 P1 C18 C23 45.4(4) . . . . ?
C7 P1 C18 C23 -65.3(4) . . . . ?
Au1 P1 C18 C23 171.3(3) . . . . ?
C12 P1 C18 C19 -135.3(3) . . . . ?
C7 P1 C18 C19 114.0(3) . . . . ?
Au1 P1 C18 C19 -9.4(4) . . . . ?
C23 C18 C19 C20 1.9(6) . . . . ?
P1 C18 C19 C20 -177.4(3) . . . . ?
C18 C19 C20 C21 -1.2(6) . . . . ?
C19 C20 C21 C22 -0.8(7) . . . . ?
C20 C21 C22 C23 2.0(7) . . . . ?
C19 C18 C23 C22 -0.7(6) . . . . ?
P1 C18 C23 C22 178.5(3) . . . . ?
C21 C22 C23 C18 -1.2(7) . . . . ?
C29 C24 C25 F4 -179.6(3) . . . . ?
Au2 C24 C25 F4 4.8(6) . . . . ?
C29 C24 C25 C26 1.8(6) . . . . ?
Au2 C24 C25 C26 -173.8(3) . . . . ?
F4 C25 C26 C27 179.6(4) . . . . ?
C24 C25 C26 C27 -1.8(6) . . . . ?
F4 C25 C26 Cl3 -0.3(5) . . . . ?
C24 C25 C26 Cl3 178.3(3) . . . . ?
C25 C26 C27 F5 -179.6(4) . . . . ?
Cl3 C26 C27 F5 0.3(6) . . . . ?
C25 C26 C27 C28 0.4(6) . . . . ?
Cl3 C26 C27 C28 -179.7(3) . . . . ?
F5 C27 C28 C29 -179.2(4) . . . . ?
C26 C27 C28 C29 0.8(6) . . . . ?
F5 C27 C28 Cl4 0.3(6) . . . . ?
C26 C27 C28 Cl4 -179.7(3) . . . . ?
C25 C24 C29 F6 179.8(3) . . . . ?
Au2 C24 C29 F6 -4.3(5) . . . . ?
C25 C24 C29 C28 -0.4(6) . . . . ?
Au2 C24 C29 C28 175.5(3) . . . . ?
C27 C28 C29 F6 179.0(3) . . . . ?
Cl4 C28 C29 F6 -0.5(5) . . . . ?
C27 C28 C29 C24 -0.8(6) . . . . ?
Cl4 C28 C29 C24 179.7(3) . . . . ?
C34 N2 C30 C31 0.1(6) . . . . ?
C34 N2 C30 P2 176.5(3) . . . . ?
C35 P2 C30 C31 -132.3(4) . . . . ?
C41 P2 C30 C31 116.2(4) . . . . ?
Au2 P2 C30 C31 -7.8(4) . . . . ?
C35 P2 C30 N2 51.1(4) . . . . ?
C41 P2 C30 N2 -60.3(3) . . . . ?
Au2 P2 C30 N2 175.6(3) . . . . ?
N2 C30 C31 C32 -0.8(7) . . . . ?
P2 C30 C31 C32 -177.1(4) . . . . ?
C30 C31 C32 C33 1.3(8) . . . . ?
C31 C32 C33 C34 -1.0(8) . . . . ?
C32 C33 C34 N2 0.3(8) . . . . ?
C30 N2 C34 C33 0.1(7) . . . . ?
C41 P2 C35 C40 -42.0(4) . . . . ?
C30 P2 C35 C40 -152.0(3) . . . . ?
Au2 P2 C35 C40 86.5(3) . . . . ?
C41 P2 C35 C36 144.4(3) . . . . ?
C30 P2 C35 C36 34.3(4) . . . . ?
Au2 P2 C35 C36 -87.1(3) . . . . ?
C40 C35 C36 C37 -0.7(6) . . . . ?
P2 C35 C36 C37 172.8(3) . . . . ?
C35 C36 C37 C38 0.2(7) . . . . ?
C36 C37 C38 C39 0.7(7) . . . . ?
C37 C38 C39 C40 -1.1(7) . . . . ?
C38 C39 C40 C35 0.5(6) . . . . ?
C36 C35 C40 C39 0.4(6) . . . . ?
P2 C35 C40 C39 -173.3(3) . . . . ?
C45 C46 C41 C42 -1.6(6) . . . . ?
C45 C46 C41 P2 173.6(3) . . . . ?
C35 P2 C41 C42 -41.3(3) . . . . ?
C30 P2 C41 C42 69.7(3) . . . . ?
Au2 P2 C41 C42 -169.6(3) . . . . ?
C35 P2 C41 C46 143.6(3) . . . . ?
C30 P2 C41 C46 -105.5(3) . . . . ?
Au2 P2 C41 C46 15.3(3) . . . . ?
C46 C41 C42 C43 0.3(6) . . . . ?
P2 C41 C42 C43 -174.8(3) . . . . ?
C41 C42 C43 C44 1.1(7) . . . . ?
C42 C43 C44 C45 -1.1(7) . . . . ?
C43 C44 C45 C46 -0.2(6) . . . . ?
C41 C46 C45 C44 1.6(6) . . . . ?

_refine_diff_density_max         0.746
_refine_diff_density_min         -0.660
_refine_diff_density_rms         0.139

_shelxl_version_number           2014-3

_database_code_depnum_ccdc_archive 'CCDC 1011349'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
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#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
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data_cat12


_audit_creation_method           SHELXL-2014
_chemical_name_systematic        ?
_chemical_name_common            2
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H26 Au2 Cl4 F6 N2 P2'
_chemical_formula_weight         1342.38

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   24.6243(7)
_cell_length_b                   12.2228(4)
_cell_length_c                   17.6926(9)
_cell_angle_alpha                90
_cell_angle_beta                 123.80
_cell_angle_gamma                90
_cell_volume                     4425.3(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9891
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      30.46

_exptl_crystal_description       rod
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.015
_exptl_crystal_F_000             2552
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    7.001
_shelx_estimated_absorpt_T_min   0.166
_shelx_estimated_absorpt_T_max   0.721
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.166
_exptl_absorpt_correction_T_max  0.721
_exptl_absorpt_process_details   SADABS


_exptl_special_details           ?

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            40972
_diffrn_reflns_av_unetI/netI     0.0459
_diffrn_reflns_av_R_equivalents  0.0664
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.941
_diffrn_reflns_theta_max         29.997
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             6470
_reflns_number_gt                5131
_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    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_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)+(0.0180P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6470
_refine_ls_number_parameters     289
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0457
_refine_ls_R_factor_gt           0.0279
_refine_ls_wR_factor_ref         0.0500
_refine_ls_wR_factor_gt          0.0470
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_restrained_S_all      1.007
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.11124(2) 0.19017(2) 0.03071(2) 0.01365(4) Uani 1 1 d . . . . .
P1 P 0.06202(4) 0.21983(7) 0.10606(5) 0.01271(17) Uani 1 1 d . . . . .
Cl1 Cl 0.19701(4) -0.12884(7) -0.11415(6) 0.02492(19) Uani 1 1 d . . . . .
Cl2 Cl 0.20496(4) 0.29389(7) -0.19442(6) 0.02507(19) Uani 1 1 d . . . . .
F1 F 0.14846(9) -0.03628(15) -0.01108(13) 0.0210(4) Uani 1 1 d . . . . .
F2 F 0.22322(9) 0.05739(17) -0.19514(13) 0.0241(5) Uani 1 1 d . . . . .
F3 F 0.15696(10) 0.33258(15) -0.07867(14) 0.0228(5) Uani 1 1 d . . . . .
N1 N 0.02509(12) 0.0913(2) 0.19643(16) 0.0119(5) Uani 1 1 d . . . . .
C1 C 0.15190(15) 0.1498(3) -0.0402(2) 0.0138(6) Uani 1 1 d . . . . .
C2 C 0.16259(15) 0.0427(3) -0.0516(2) 0.0152(7) Uani 1 1 d . . . . .
C3 C 0.18661(15) 0.0075(3) -0.1018(2) 0.0157(7) Uani 1 1 d . . . . .
C4 C 0.20100(15) 0.0876(3) -0.1437(2) 0.0178(7) Uani 1 1 d . . . . .
C5 C 0.19113(15) 0.1964(3) -0.1365(2) 0.0171(7) Uani 1 1 d . . . . .
C6 C 0.16730(16) 0.2251(3) -0.0842(2) 0.0154(7) Uani 1 1 d . . . . .
C7 C 0.04994(14) 0.0891(2) 0.1462(2) 0.0115(6) Uani 1 1 d . . . . .
C8 C 0.06751(15) -0.0082(3) 0.1226(2) 0.0162(7) Uani 1 1 d . . . . .
H8A H 0.0863 -0.0059 0.0881 0.019 Uiso 1 1 calc R U . . .
C9 C 0.05723(15) -0.1061(3) 0.1500(2) 0.0157(7) Uani 1 1 d . . . . .
H9A H 0.0691 -0.1726 0.1351 0.019 Uiso 1 1 calc R U . . .
C10 C 0.02899(14) -0.1075(3) 0.2004(2) 0.0137(6) Uani 1 1 d . . . . .
C11 C 0.01431(14) -0.0054(3) 0.2230(2) 0.0115(6) Uani 1 1 d . . . . .
C12 C 0.01426(15) -0.2083(3) 0.2269(2) 0.0153(7) Uani 1 1 d . . . . .
H12A H 0.0248 -0.2759 0.2115 0.018 Uiso 1 1 calc R U . . .
C13 C -0.01823(15) 0.2812(3) 0.0342(2) 0.0138(6) Uani 1 1 d . . . . .
C14 C -0.07207(15) 0.2535(3) 0.0367(2) 0.0192(7) Uani 1 1 d . . . . .
H14A H -0.0678 0.1999 0.0786 0.023 Uiso 1 1 calc R U . . .
C15 C -0.13181(17) 0.3038(3) -0.0216(2) 0.0251(8) Uani 1 1 d . . . . .
H15A H -0.1685 0.2837 -0.0201 0.030 Uiso 1 1 calc R U . . .
C16 C -0.13832(17) 0.3833(3) -0.0821(2) 0.0233(8) Uani 1 1 d . . . . .
H16A H -0.1793 0.4180 -0.1217 0.028 Uiso 1 1 calc R U . . .
C17 C -0.08503(17) 0.4120(3) -0.0847(2) 0.0218(8) Uani 1 1 d . . . . .
H17A H -0.0894 0.4666 -0.1260 0.026 Uiso 1 1 calc R U . . .
C18 C -0.02526(16) 0.3613(3) -0.0273(2) 0.0181(7) Uani 1 1 d . . . . .
H18A H 0.0111 0.3808 -0.0297 0.022 Uiso 1 1 calc R U . . .
C19 C 0.10627(15) 0.3078(3) 0.2045(2) 0.0128(6) Uani 1 1 d . . . . .
C20 C 0.17159(15) 0.3315(3) 0.2398(2) 0.0166(7) Uani 1 1 d . . . . .
H20A H 0.1917 0.3031 0.2111 0.020 Uiso 1 1 calc R U . . .
C21 C 0.20742(16) 0.3964(3) 0.3167(2) 0.0214(7) Uani 1 1 d . . . . .
H21A H 0.2520 0.4121 0.3411 0.026 Uiso 1 1 calc R U . . .
C22 C 0.17770(17) 0.4382(3) 0.3576(2) 0.0234(8) Uani 1 1 d . . . . .
H22A H 0.2023 0.4821 0.4107 0.028 Uiso 1 1 calc R U . . .
C23 C 0.11256(17) 0.4169(3) 0.3222(2) 0.0239(8) Uani 1 1 d . . . . .
H23A H 0.0924 0.4472 0.3502 0.029 Uiso 1 1 calc R U . . .
C24 C 0.07676(16) 0.3513(3) 0.2458(2) 0.0183(7) Uani 1 1 d . . . . .
H24A H 0.0321 0.3360 0.2217 0.022 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 2.054(3) . ?
Au1 P1 2.2750(8) . ?
P1 C19 1.807(3) . ?
P1 C13 1.814(3) . ?
P1 C7 1.839(3) . ?
Cl1 C3 1.718(3) . ?
Cl2 C5 1.725(3) . ?
F1 C2 1.358(3) . ?
F2 C4 1.348(3) . ?
F3 C6 1.352(4) . ?
N1 C7 1.330(4) . ?
N1 C11 1.351(4) . ?
C1 C2 1.371(4) . ?
C1 C6 1.388(4) . ?
C2 C3 1.383(4) . ?
C3 C4 1.388(5) . ?
C4 C5 1.371(5) . ?
C5 C6 1.388(4) . ?
C7 C8 1.406(4) . ?
C8 C9 1.367(4) . ?
C8 H8A 0.9500 . ?
C9 C10 1.403(4) . ?
C9 H9A 0.9500 . ?
C10 C11 1.417(4) . ?
C10 C12 1.436(4) . ?
C11 C11 1.471(6) 2 ?
C12 C12 1.342(6) 2 ?
C12 H12A 0.9500 . ?
C13 C14 1.393(4) . ?
C13 C18 1.401(4) . ?
C14 C15 1.385(5) . ?
C14 H14A 0.9500 . ?
C15 C16 1.389(5) . ?
C15 H15A 0.9500 . ?
C16 C17 1.383(5) . ?
C16 H16A 0.9500 . ?
C17 C18 1.385(4) . ?
C17 H17A 0.9500 . ?
C18 H18A 0.9500 . ?
C19 C24 1.392(4) . ?
C19 C20 1.394(4) . ?
C20 C21 1.387(4) . ?
C20 H20A 0.9500 . ?
C21 C22 1.382(5) . ?
C21 H21A 0.9500 . ?
C22 C23 1.384(5) . ?
C22 H22A 0.9500 . ?
C23 C24 1.387(4) . ?
C23 H23A 0.9500 . ?
C24 H24A 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Au1 P1 174.87(9) . . ?
C19 P1 C13 105.48(14) . . ?
C19 P1 C7 106.58(14) . . ?
C13 P1 C7 106.44(14) . . ?
C19 P1 Au1 115.29(10) . . ?
C13 P1 Au1 112.54(10) . . ?
C7 P1 Au1 109.95(10) . . ?
C7 N1 C11 117.8(3) . . ?
C2 C1 C6 114.6(3) . . ?
C2 C1 Au1 121.2(2) . . ?
C6 C1 Au1 124.1(2) . . ?
F1 C2 C1 118.4(3) . . ?
F1 C2 C3 116.4(3) . . ?
C1 C2 C3 125.3(3) . . ?
C2 C3 C4 116.8(3) . . ?
C2 C3 Cl1 122.1(3) . . ?
C4 C3 Cl1 121.1(2) . . ?
F2 C4 C5 119.3(3) . . ?
F2 C4 C3 119.2(3) . . ?
C5 C4 C3 121.6(3) . . ?
C4 C5 C6 118.1(3) . . ?
C4 C5 Cl2 120.7(2) . . ?
C6 C5 Cl2 121.2(3) . . ?
F3 C6 C1 118.9(3) . . ?
F3 C6 C5 117.4(3) . . ?
C1 C6 C5 123.7(3) . . ?
N1 C7 C8 123.2(3) . . ?
N1 C7 P1 118.3(2) . . ?
C8 C7 P1 118.5(2) . . ?
C9 C8 C7 119.1(3) . . ?
C9 C8 H8A 120.4 . . ?
C7 C8 H8A 120.4 . . ?
C8 C9 C10 119.4(3) . . ?
C8 C9 H9A 120.3 . . ?
C10 C9 H9A 120.3 . . ?
C9 C10 C11 117.6(3) . . ?
C9 C10 C12 121.5(3) . . ?
C11 C10 C12 120.9(3) . . ?
N1 C11 C10 122.8(3) . . ?
N1 C11 C11 118.94(16) . 2 ?
C10 C11 C11 118.24(17) . 2 ?
C12 C12 C10 120.80(18) 2 . ?
C12 C12 H12A 119.6 2 . ?
C10 C12 H12A 119.6 . . ?
C14 C13 C18 119.1(3) . . ?
C14 C13 P1 124.2(2) . . ?
C18 C13 P1 116.7(2) . . ?
C15 C14 C13 120.3(3) . . ?
C15 C14 H14A 119.9 . . ?
C13 C14 H14A 119.9 . . ?
C14 C15 C16 120.3(3) . . ?
C14 C15 H15A 119.9 . . ?
C16 C15 H15A 119.9 . . ?
C17 C16 C15 119.9(3) . . ?
C17 C16 H16A 120.1 . . ?
C15 C16 H16A 120.1 . . ?
C16 C17 C18 120.2(3) . . ?
C16 C17 H17A 119.9 . . ?
C18 C17 H17A 119.9 . . ?
C17 C18 C13 120.2(3) . . ?
C17 C18 H18A 119.9 . . ?
C13 C18 H18A 119.9 . . ?
C24 C19 C20 119.6(3) . . ?
C24 C19 P1 121.5(2) . . ?
C20 C19 P1 118.9(2) . . ?
C21 C20 C19 120.3(3) . . ?
C21 C20 H20A 119.9 . . ?
C19 C20 H20A 119.9 . . ?
C22 C21 C20 119.5(3) . . ?
C22 C21 H21A 120.3 . . ?
C20 C21 H21A 120.3 . . ?
C21 C22 C23 120.8(3) . . ?
C21 C22 H22A 119.6 . . ?
C23 C22 H22A 119.6 . . ?
C22 C23 C24 119.9(3) . . ?
C22 C23 H23A 120.0 . . ?
C24 C23 H23A 120.0 . . ?
C23 C24 C19 119.9(3) . . ?
C23 C24 H24A 120.0 . . ?
C19 C24 H24A 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 F1 -179.7(3) . . . . ?
Au1 C1 C2 F1 -3.0(4) . . . . ?
C6 C1 C2 C3 0.0(5) . . . . ?
Au1 C1 C2 C3 176.6(2) . . . . ?
F1 C2 C3 C4 179.8(3) . . . . ?
C1 C2 C3 C4 0.1(5) . . . . ?
F1 C2 C3 Cl1 0.9(4) . . . . ?
C1 C2 C3 Cl1 -178.7(3) . . . . ?
C2 C3 C4 F2 -178.6(3) . . . . ?
Cl1 C3 C4 F2 0.3(4) . . . . ?
C2 C3 C4 C5 -0.8(5) . . . . ?
Cl1 C3 C4 C5 178.1(2) . . . . ?
F2 C4 C5 C6 179.0(3) . . . . ?
C3 C4 C5 C6 1.2(5) . . . . ?
F2 C4 C5 Cl2 1.6(4) . . . . ?
C3 C4 C5 Cl2 -176.3(3) . . . . ?
C2 C1 C6 F3 178.5(3) . . . . ?
Au1 C1 C6 F3 2.0(4) . . . . ?
C2 C1 C6 C5 0.5(5) . . . . ?
Au1 C1 C6 C5 -176.0(2) . . . . ?
C4 C5 C6 F3 -179.1(3) . . . . ?
Cl2 C5 C6 F3 -1.6(4) . . . . ?
C4 C5 C6 C1 -1.1(5) . . . . ?
Cl2 C5 C6 C1 176.3(3) . . . . ?
C11 N1 C7 C8 -2.4(4) . . . . ?
C11 N1 C7 P1 177.8(2) . . . . ?
C19 P1 C7 N1 50.6(3) . . . . ?
C13 P1 C7 N1 -61.7(3) . . . . ?
Au1 P1 C7 N1 176.2(2) . . . . ?
C19 P1 C7 C8 -129.3(2) . . . . ?
C13 P1 C7 C8 118.5(3) . . . . ?
Au1 P1 C7 C8 -3.7(3) . . . . ?
N1 C7 C8 C9 1.8(5) . . . . ?
P1 C7 C8 C9 -178.3(2) . . . . ?
C7 C8 C9 C10 0.5(5) . . . . ?
C8 C9 C10 C11 -2.0(4) . . . . ?
C8 C9 C10 C12 176.9(3) . . . . ?
C7 N1 C11 C10 0.7(4) . . . . ?
C7 N1 C11 C11 -178.8(3) . . . 2 ?
C9 C10 C11 N1 1.4(4) . . . . ?
C12 C10 C11 N1 -177.4(3) . . . . ?
C9 C10 C11 C11 -179.0(3) . . . 2 ?
C12 C10 C11 C11 2.1(5) . . . 2 ?
C9 C10 C12 C12 -178.3(4) . . . 2 ?
C11 C10 C12 C12 0.5(5) . . . 2 ?
C19 P1 C13 C14 -92.8(3) . . . . ?
C7 P1 C13 C14 20.2(3) . . . . ?
Au1 P1 C13 C14 140.7(3) . . . . ?
C19 P1 C13 C18 87.4(3) . . . . ?
C7 P1 C13 C18 -159.6(2) . . . . ?
Au1 P1 C13 C18 -39.1(3) . . . . ?
C18 C13 C14 C15 0.6(5) . . . . ?
P1 C13 C14 C15 -179.2(3) . . . . ?
C13 C14 C15 C16 -0.9(5) . . . . ?
C14 C15 C16 C17 0.5(5) . . . . ?
C15 C16 C17 C18 0.2(5) . . . . ?
C16 C17 C18 C13 -0.5(5) . . . . ?
C14 C13 C18 C17 0.1(5) . . . . ?
P1 C13 C18 C17 179.9(2) . . . . ?
C13 P1 C19 C24 41.7(3) . . . . ?
C7 P1 C19 C24 -71.1(3) . . . . ?
Au1 P1 C19 C24 166.5(2) . . . . ?
C13 P1 C19 C20 -138.8(3) . . . . ?
C7 P1 C19 C20 108.3(3) . . . . ?
Au1 P1 C19 C20 -14.0(3) . . . . ?
C24 C19 C20 C21 1.2(5) . . . . ?
P1 C19 C20 C21 -178.3(3) . . . . ?
C19 C20 C21 C22 -0.6(5) . . . . ?
C20 C21 C22 C23 -0.6(5) . . . . ?
C21 C22 C23 C24 1.2(5) . . . . ?
C22 C23 C24 C19 -0.5(5) . . . . ?
C20 C19 C24 C23 -0.6(5) . . . . ?
P1 C19 C24 C23 178.8(3) . . . . ?

_refine_diff_density_max         0.909
_refine_diff_density_min         -0.701
_refine_diff_density_rms         0.156

_shelxl_version_number           2014-3

_database_code_depnum_ccdc_archive 'CCDC 1011350'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_cat8_0m



_audit_creation_method           SHELXL-2014
_chemical_name_systematic        ?
_chemical_name_common            3
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C46 H28 Au2 B Cl4 Cu F10 N2 P2'
_chemical_formula_weight         1470.73

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'

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

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

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

_cell_length_a                   10.3133(3)
_cell_length_b                   13.8966(5)
_cell_length_c                   16.5360(6)
_cell_angle_alpha                90.0760(10)
_cell_angle_beta                 95.0190(10)
_cell_angle_gamma                104.8460(10)
_cell_volume                     2281.35(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9928
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      31.36

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.141
_exptl_crystal_F_000             1396
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.340
_exptl_crystal_size_mid          0.330
_exptl_crystal_size_min          0.220
_exptl_absorpt_coefficient_mu    7.261
_shelx_estimated_absorpt_T_min   0.192
_shelx_estimated_absorpt_T_max   0.298
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.192
_exptl_absorpt_correction_T_max  0.298
_exptl_absorpt_process_details   SADABS

_exptl_special_details           ?

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            49768
_diffrn_reflns_av_unetI/netI     0.0485
_diffrn_reflns_av_R_equivalents  0.0423
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.516
_diffrn_reflns_theta_max         31.500
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             15057
_reflns_number_gt                11788
_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    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_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)+(0.0366P)²+1.6608P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15057
_refine_ls_number_parameters     613
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0547
_refine_ls_R_factor_gt           0.0372
_refine_ls_wR_factor_ref         0.0850
_refine_ls_wR_factor_gt          0.0808
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_restrained_S_all      1.081
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.53260(2) 0.57543(2) 0.68641(2) 0.01937(4) Uani 1 1 d . . . . .
Au2 Au 0.67514(2) 0.66848(2) 0.84937(2) 0.01645(4) Uani 1 1 d . . . . .
Cu1 Cu 0.82921(5) 0.64621(4) 0.71966(3) 0.01995(11) Uani 1 1 d . . . . .
Cl1 Cl 0.3996(2) 0.89785(13) 0.51978(9) 0.0666(6) Uani 1 1 d . . . . .
Cl2 Cl 0.14295(12) 0.77986(9) 0.78414(9) 0.0371(3) Uani 1 1 d . . . . .
Cl3 Cl 0.30108(15) 0.29651(10) 0.92173(8) 0.0414(3) Uani 1 1 d . . . . .
Cl4 Cl 0.82602(17) 0.35263(11) 1.02071(8) 0.0449(4) Uani 1 1 d . . . . .
F1 F 0.5329(3) 0.7413(2) 0.56073(17) 0.0329(6) Uani 1 1 d . . . . .
F2 F 0.2085(3) 0.8960(2) 0.64039(19) 0.0427(8) Uani 1 1 d . . . . .
F3 F 0.3082(3) 0.6378(2) 0.7939(2) 0.0394(8) Uani 1 1 d . . . . .
F4 F 0.3903(3) 0.4969(2) 0.86053(16) 0.0279(6) Uani 1 1 d . . . . .
F5 F 0.5429(4) 0.2442(2) 0.99285(19) 0.0484(9) Uani 1 1 d . . . . .
F6 F 0.8479(3) 0.5496(2) 0.95288(17) 0.0313(6) Uani 1 1 d . . . . .
B1 B 0.9408(6) 0.1859(5) 0.6640(4) 0.0386(14) Uani 1 1 d . . . . .
F7 F 0.9920(4) 0.1223(3) 0.6222(3) 0.0686(12) Uani 1 1 d . . . . .
F8 F 1.0012(3) 0.2848(2) 0.6526(2) 0.0472(9) Uani 1 1 d . . . . .
F9 F 0.9724(4) 0.1667(3) 0.7475(2) 0.0509(9) Uani 1 1 d . . . . .
F10 F 0.8028(3) 0.1654(2) 0.6534(2) 0.0489(9) Uani 1 1 d . . . . .
P1 P 0.62598(11) 0.44491(8) 0.66826(7) 0.0191(2) Uani 1 1 d . . . . .
P2 P 0.75634(11) 0.82873(7) 0.80772(7) 0.0162(2) Uani 1 1 d . . . . .
N1 N 0.8625(4) 0.5238(3) 0.7561(2) 0.0194(7) Uani 1 1 d . . . . .
N2 N 0.8259(4) 0.7675(3) 0.6666(2) 0.0202(7) Uani 1 1 d . . . . .
C1 C 0.4317(4) 0.6853(3) 0.6781(3) 0.0198(8) Uani 1 1 d . . . . .
C2 C 0.4438(5) 0.7476(3) 0.6151(3) 0.0255(9) Uani 1 1 d . . . . .
C3 C 0.3728(6) 0.8202(3) 0.6001(3) 0.0312(11) Uani 1 1 d . . . . .
C4 C 0.2786(5) 0.8273(3) 0.6528(3) 0.0286(10) Uani 1 1 d . . . . .
C5 C 0.2578(5) 0.7662(3) 0.7177(3) 0.0267(10) Uani 1 1 d . . . . .
C6 C 0.3323(4) 0.6965(3) 0.7289(3) 0.0251(9) Uani 1 1 d . . . . .
C7 C 0.7689(4) 0.4360(3) 0.7402(3) 0.0195(8) Uani 1 1 d . . . . .
C8 C 0.7853(5) 0.3473(3) 0.7712(3) 0.0261(10) Uani 1 1 d . . . . .
H8A H 0.7166 0.2874 0.7604 0.031 Uiso 1 1 calc R U . . .
C9 C 0.9031(5) 0.3468(4) 0.8183(3) 0.0320(11) Uani 1 1 d . . . . .
H9A H 0.9169 0.2865 0.8397 0.038 Uiso 1 1 calc R U . . .
C10 C 0.9994(5) 0.4351(4) 0.8332(3) 0.0320(11) Uani 1 1 d . . . . .
H10A H 1.0813 0.4365 0.8649 0.038 Uiso 1 1 calc R U . . .
C11 C 0.9762(5) 0.5223(4) 0.8016(3) 0.0264(10) Uani 1 1 d . . . . .
H11A H 1.0432 0.5831 0.8126 0.032 Uiso 1 1 calc R U . . .
C12 C 0.7044(4) 0.4548(3) 0.5733(3) 0.0217(9) Uani 1 1 d . . . . .
C13 C 0.6870(5) 0.5287(3) 0.5196(3) 0.0261(9) Uani 1 1 d . . . . .
H13A H 0.6293 0.5693 0.5313 0.031 Uiso 1 1 calc R U . . .
C14 C 0.7525(5) 0.5435(4) 0.4496(3) 0.0299(10) Uani 1 1 d . . . . .
H14A H 0.7418 0.5952 0.4142 0.036 Uiso 1 1 calc R U . . .
C15 C 0.8344(5) 0.4825(4) 0.4311(3) 0.0333(11) Uani 1 1 d . . . . .
H15A H 0.8785 0.4917 0.3825 0.040 Uiso 1 1 calc R U . . .
C16 C 0.8513(5) 0.4083(4) 0.4836(3) 0.0289(10) Uani 1 1 d . . . . .
H16A H 0.9071 0.3666 0.4707 0.035 Uiso 1 1 calc R U . . .
C17 C 0.7879(4) 0.3943(3) 0.5545(3) 0.0241(9) Uani 1 1 d . . . . .
H17A H 0.8009 0.3436 0.5904 0.029 Uiso 1 1 calc R U . . .
C18 C 0.5037(4) 0.3257(3) 0.6724(3) 0.0212(8) Uani 1 1 d . . . . .
C19 C 0.5211(5) 0.2375(3) 0.6394(3) 0.0294(10) Uani 1 1 d . . . . .
H19A H 0.5984 0.2385 0.6118 0.035 Uiso 1 1 calc R U . . .
C20 C 0.4245(6) 0.1483(4) 0.6474(3) 0.0353(12) Uani 1 1 d . . . . .
H20A H 0.4374 0.0881 0.6264 0.042 Uiso 1 1 calc R U . . .
C21 C 0.3111(5) 0.1467(4) 0.6852(3) 0.0306(11) Uani 1 1 d . . . . .
H21A H 0.2448 0.0856 0.6890 0.037 Uiso 1 1 calc R U . . .
C22 C 0.2924(5) 0.2333(3) 0.7177(3) 0.0259(9) Uani 1 1 d . . . . .
H22A H 0.2138 0.2317 0.7443 0.031 Uiso 1 1 calc R U . . .
C23 C 0.3889(5) 0.3224(3) 0.7114(3) 0.0241(9) Uani 1 1 d . . . . .
H23A H 0.3763 0.3818 0.7340 0.029 Uiso 1 1 calc R U . . .
C24 C 0.6214(4) 0.5296(3) 0.9002(2) 0.0179(8) Uani 1 1 d . . . . .
C25 C 0.4942(5) 0.4664(3) 0.8968(3) 0.0228(9) Uani 1 1 d . . . . .
C26 C 0.4639(5) 0.3706(3) 0.9277(3) 0.0278(10) Uani 1 1 d . . . . .
C27 C 0.5691(6) 0.3369(3) 0.9644(3) 0.0310(11) Uani 1 1 d . . . . .
C28 C 0.6977(5) 0.3966(3) 0.9730(3) 0.0288(10) Uani 1 1 d . . . . .
C29 C 0.7202(5) 0.4917(3) 0.9415(3) 0.0219(9) Uani 1 1 d . . . . .
C30 C 0.7828(4) 0.8421(3) 0.6996(3) 0.0186(8) Uani 1 1 d . . . . .
C31 C 0.7671(5) 0.9228(3) 0.6550(3) 0.0251(9) Uani 1 1 d . . . . .
H31A H 0.7341 0.9731 0.6786 0.030 Uiso 1 1 calc R U . . .
C32 C 0.8003(5) 0.9297(4) 0.5747(3) 0.0317(11) Uani 1 1 d . . . . .
H32A H 0.7901 0.9848 0.5431 0.038 Uiso 1 1 calc R U . . .
C33 C 0.8482(5) 0.8554(4) 0.5418(3) 0.0305(10) Uani 1 1 d . . . . .
H33A H 0.8727 0.8589 0.4877 0.037 Uiso 1 1 calc R U . . .
C34 C 0.8594(5) 0.7758(4) 0.5896(3) 0.0271(10) Uani 1 1 d . . . . .
H34A H 0.8922 0.7247 0.5671 0.033 Uiso 1 1 calc R U . . .
C35 C 0.9215(4) 0.8846(3) 0.8593(3) 0.0165(8) Uani 1 1 d . . . . .
C36 C 1.0086(4) 0.9703(3) 0.8306(3) 0.0192(8) Uani 1 1 d . . . . .
H36A H 0.9869 0.9962 0.7794 0.023 Uiso 1 1 calc R U . . .
C37 C 1.1269(4) 1.0170(3) 0.8776(3) 0.0228(9) Uani 1 1 d . . . . .
H37A H 1.1859 1.0751 0.8586 0.027 Uiso 1 1 calc R U . . .
C38 C 1.1588(4) 0.9790(3) 0.9522(3) 0.0237(9) Uani 1 1 d . . . . .
H38A H 1.2385 1.0123 0.9846 0.028 Uiso 1 1 calc R U . . .
C39 C 1.0752(4) 0.8929(3) 0.9797(3) 0.0228(9) Uani 1 1 d . . . . .
H39A H 1.0989 0.8660 1.0300 0.027 Uiso 1 1 calc R U . . .
C40 C 0.9565(4) 0.8458(3) 0.9335(3) 0.0185(8) Uani 1 1 d . . . . .
H40A H 0.8990 0.7871 0.9526 0.022 Uiso 1 1 calc R U . . .
C41 C 0.6555(4) 0.9129(3) 0.8314(2) 0.0166(8) Uani 1 1 d . . . . .
C42 C 0.7033(4) 1.0165(3) 0.8301(3) 0.0196(8) Uani 1 1 d . . . . .
H42A H 0.7898 1.0456 0.8127 0.024 Uiso 1 1 calc R U . . .
C43 C 0.6250(5) 1.0768(3) 0.8540(3) 0.0255(9) Uani 1 1 d . . . . .
H43A H 0.6577 1.1472 0.8528 0.031 Uiso 1 1 calc R U . . .
C44 C 0.4977(5) 1.0344(3) 0.8799(3) 0.0279(10) Uani 1 1 d . . . . .
H44A H 0.4438 1.0759 0.8960 0.033 Uiso 1 1 calc R U . . .
C45 C 0.4504(5) 0.9321(3) 0.8819(3) 0.0303(11) Uani 1 1 d . . . . .
H45A H 0.3641 0.9033 0.8997 0.036 Uiso 1 1 calc R U . . .
C46 C 0.5285(4) 0.8713(3) 0.8581(3) 0.0225(9) Uani 1 1 d . . . . .
H46A H 0.4956 0.8010 0.8600 0.027 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(4) . ?
Au1 P1 2.2916(11) . ?
Au1 Cu1 2.9647(6) . ?
Au1 Au2 3.0689(2) . ?
Au2 C24 2.068(4) . ?
Au2 P2 2.2988(10) . ?
Au2 Cu1 2.8403(5) . ?
Cu1 N2 1.907(4) . ?
Cu1 N1 1.908(3) . ?
Cl1 C3 1.710(5) . ?
Cl2 C5 1.729(5) . ?
Cl3 C26 1.725(5) . ?
Cl4 C28 1.726(5) . ?
F1 C2 1.359(5) . ?
F2 C4 1.344(5) . ?
F3 C6 1.352(5) . ?
F4 C25 1.344(5) . ?
F5 C27 1.342(5) . ?
F6 C29 1.353(5) . ?
B1 F7 1.356(7) . ?
B1 F10 1.374(7) . ?
B1 F8 1.377(7) . ?
B1 F9 1.432(8) . ?
P1 C18 1.812(4) . ?
P1 C12 1.817(5) . ?
P1 C7 1.841(4) . ?
P2 C41 1.815(4) . ?
P2 C35 1.816(4) . ?
P2 C30 1.835(4) . ?
N1 C11 1.342(6) . ?
N1 C7 1.357(5) . ?
N2 C34 1.346(6) . ?
N2 C30 1.358(5) . ?
C1 C2 1.349(6) . ?
C1 C6 1.418(6) . ?
C2 C3 1.401(6) . ?
C3 C4 1.381(7) . ?
C4 C5 1.367(7) . ?
C5 C6 1.386(6) . ?
C7 C8 1.379(6) . ?
C8 C9 1.386(7) . ?
C8 H8A 0.9500 . ?
C9 C10 1.373(7) . ?
C9 H9A 0.9500 . ?
C10 C11 1.389(7) . ?
C10 H10A 0.9500 . ?
C11 H11A 0.9500 . ?
C12 C13 1.394(6) . ?
C12 C17 1.402(6) . ?
C13 C14 1.380(7) . ?
C13 H13A 0.9500 . ?
C14 C15 1.392(7) . ?
C14 H14A 0.9500 . ?
C15 C16 1.384(7) . ?
C15 H15A 0.9500 . ?
C16 C17 1.382(6) . ?
C16 H16A 0.9500 . ?
C17 H17A 0.9500 . ?
C18 C23 1.388(6) . ?
C18 C19 1.401(6) . ?
C19 C20 1.392(7) . ?
C19 H19A 0.9500 . ?
C20 C21 1.368(7) . ?
C20 H20A 0.9500 . ?
C21 C22 1.383(7) . ?
C21 H21A 0.9500 . ?
C22 C23 1.386(6) . ?
C22 H22A 0.9500 . ?
C23 H23A 0.9500 . ?
C24 C25 1.376(6) . ?
C24 C29 1.392(6) . ?
C25 C26 1.397(6) . ?
C26 C27 1.381(7) . ?
C27 C28 1.368(7) . ?
C28 C29 1.392(6) . ?
C30 C31 1.379(6) . ?
C31 C32 1.397(7) . ?
C31 H31A 0.9500 . ?
C32 C33 1.383(7) . ?
C32 H32A 0.9500 . ?
C33 C34 1.383(7) . ?
C33 H33A 0.9500 . ?
C34 H34A 0.9500 . ?
C35 C40 1.397(6) . ?
C35 C36 1.408(6) . ?
C36 C37 1.394(6) . ?
C36 H36A 0.9500 . ?
C37 C38 1.388(6) . ?
C37 H37A 0.9500 . ?
C38 C39 1.388(6) . ?
C38 H38A 0.9500 . ?
C39 C40 1.390(6) . ?
C39 H39A 0.9500 . ?
C40 H40A 0.9500 . ?
C41 C42 1.399(6) . ?
C41 C46 1.400(6) . ?
C42 C43 1.383(6) . ?
C42 H42A 0.9500 . ?
C43 C44 1.399(6) . ?
C43 H43A 0.9500 . ?
C44 C45 1.381(6) . ?
C44 H44A 0.9500 . ?
C45 C46 1.385(6) . ?
C45 H45A 0.9500 . ?
C46 H46A 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Au1 P1 167.99(12) . . ?
C1 Au1 Cu1 115.32(12) . . ?
P1 Au1 Cu1 71.00(3) . . ?
C1 Au1 Au2 89.07(11) . . ?
P1 Au1 Au2 102.78(3) . . ?
Cu1 Au1 Au2 56.134(11) . . ?
C24 Au2 P2 172.24(12) . . ?
C24 Au2 Cu1 105.48(11) . . ?
P2 Au2 Cu1 76.38(3) . . ?
C24 Au2 Au1 89.02(11) . . ?
P2 Au2 Au1 98.34(3) . . ?
Cu1 Au2 Au1 60.079(12) . . ?
N2 Cu1 N1 166.92(16) . . ?
N2 Cu1 Au2 97.80(11) . . ?
N1 Cu1 Au2 95.06(11) . . ?
N2 Cu1 Au1 89.95(11) . . ?
N1 Cu1 Au1 97.91(11) . . ?
Au2 Cu1 Au1 63.788(12) . . ?
F7 B1 F10 113.4(5) . . ?
F7 B1 F8 113.8(5) . . ?
F10 B1 F8 112.1(5) . . ?
F7 B1 F9 104.3(5) . . ?
F10 B1 F9 105.5(5) . . ?
F8 B1 F9 106.8(5) . . ?
C18 P1 C12 110.4(2) . . ?
C18 P1 C7 105.0(2) . . ?
C12 P1 C7 100.34(19) . . ?
C18 P1 Au1 111.95(14) . . ?
C12 P1 Au1 110.98(15) . . ?
C7 P1 Au1 117.44(13) . . ?
C41 P2 C35 104.33(18) . . ?
C41 P2 C30 106.92(19) . . ?
C35 P2 C30 103.96(19) . . ?
C41 P2 Au2 114.25(14) . . ?
C35 P2 Au2 110.56(13) . . ?
C30 P2 Au2 115.72(14) . . ?
C11 N1 C7 117.9(4) . . ?
C11 N1 Cu1 121.1(3) . . ?
C7 N1 Cu1 120.9(3) . . ?
C34 N2 C30 118.4(4) . . ?
C34 N2 Cu1 117.3(3) . . ?
C30 N2 Cu1 124.1(3) . . ?
C2 C1 C6 113.1(4) . . ?
C2 C1 Au1 120.9(3) . . ?
C6 C1 Au1 125.5(3) . . ?
C1 C2 F1 118.4(4) . . ?
C1 C2 C3 125.8(4) . . ?
F1 C2 C3 115.8(4) . . ?
C4 C3 C2 117.7(4) . . ?
C4 C3 Cl1 120.3(4) . . ?
C2 C3 Cl1 122.0(4) . . ?
F2 C4 C5 120.0(4) . . ?
F2 C4 C3 119.4(4) . . ?
C5 C4 C3 120.6(4) . . ?
C4 C5 C6 118.5(4) . . ?
C4 C5 Cl2 119.4(4) . . ?
C6 C5 Cl2 122.1(4) . . ?
F3 C6 C5 116.3(4) . . ?
F3 C6 C1 119.4(4) . . ?
C5 C6 C1 124.2(4) . . ?
N1 C7 C8 122.3(4) . . ?
N1 C7 P1 114.0(3) . . ?
C8 C7 P1 123.5(3) . . ?
C7 C8 C9 119.2(5) . . ?
C7 C8 H8A 120.4 . . ?
C9 C8 H8A 120.4 . . ?
C10 C9 C8 118.7(4) . . ?
C10 C9 H9A 120.6 . . ?
C8 C9 H9A 120.6 . . ?
C9 C10 C11 119.5(5) . . ?
C9 C10 H10A 120.3 . . ?
C11 C10 H10A 120.3 . . ?
N1 C11 C10 122.3(5) . . ?
N1 C11 H11A 118.8 . . ?
C10 C11 H11A 118.8 . . ?
C13 C12 C17 118.9(4) . . ?
C13 C12 P1 118.9(3) . . ?
C17 C12 P1 122.1(3) . . ?
C14 C13 C12 120.8(5) . . ?
C14 C13 H13A 119.6 . . ?
C12 C13 H13A 119.6 . . ?
C13 C14 C15 119.8(5) . . ?
C13 C14 H14A 120.1 . . ?
C15 C14 H14A 120.1 . . ?
C16 C15 C14 119.8(4) . . ?
C16 C15 H15A 120.1 . . ?
C14 C15 H15A 120.1 . . ?
C17 C16 C15 120.6(5) . . ?
C17 C16 H16A 119.7 . . ?
C15 C16 H16A 119.7 . . ?
C16 C17 C12 120.0(4) . . ?
C16 C17 H17A 120.0 . . ?
C12 C17 H17A 120.0 . . ?
C23 C18 C19 119.0(4) . . ?
C23 C18 P1 117.9(3) . . ?
C19 C18 P1 123.1(3) . . ?
C20 C19 C18 119.6(4) . . ?
C20 C19 H19A 120.2 . . ?
C18 C19 H19A 120.2 . . ?
C21 C20 C19 120.6(5) . . ?
C21 C20 H20A 119.7 . . ?
C19 C20 H20A 119.7 . . ?
C20 C21 C22 120.5(4) . . ?
C20 C21 H21A 119.8 . . ?
C22 C21 H21A 119.8 . . ?
C21 C22 C23 119.6(4) . . ?
C21 C22 H22A 120.2 . . ?
C23 C22 H22A 120.2 . . ?
C22 C23 C18 120.8(4) . . ?
C22 C23 H23A 119.6 . . ?
C18 C23 H23A 119.6 . . ?
C25 C24 C29 114.0(4) . . ?
C25 C24 Au2 126.6(3) . . ?
C29 C24 Au2 119.5(3) . . ?
F4 C25 C24 119.0(4) . . ?
F4 C25 C26 116.5(4) . . ?
C24 C25 C26 124.5(4) . . ?
C27 C26 C25 117.7(4) . . ?
C27 C26 Cl3 120.7(4) . . ?
C25 C26 Cl3 121.6(4) . . ?
F5 C27 C28 119.9(5) . . ?
F5 C27 C26 118.8(5) . . ?
C28 C27 C26 121.3(4) . . ?
C27 C28 C29 117.9(4) . . ?
C27 C28 Cl4 120.0(4) . . ?
C29 C28 Cl4 122.2(4) . . ?
F6 C29 C28 116.3(4) . . ?
F6 C29 C24 119.2(4) . . ?
C28 C29 C24 124.5(4) . . ?
N2 C30 C31 121.7(4) . . ?
N2 C30 P2 114.5(3) . . ?
C31 C30 P2 123.8(3) . . ?
C30 C31 C32 119.3(4) . . ?
C30 C31 H31A 120.4 . . ?
C32 C31 H31A 120.4 . . ?
C33 C32 C31 119.2(4) . . ?
C33 C32 H32A 120.4 . . ?
C31 C32 H32A 120.4 . . ?
C34 C33 C32 118.5(4) . . ?
C34 C33 H33A 120.8 . . ?
C32 C33 H33A 120.8 . . ?
N2 C34 C33 123.0(4) . . ?
N2 C34 H34A 118.5 . . ?
C33 C34 H34A 118.5 . . ?
C40 C35 C36 119.6(4) . . ?
C40 C35 P2 118.2(3) . . ?
C36 C35 P2 122.0(3) . . ?
C37 C36 C35 119.5(4) . . ?
C37 C36 H36A 120.3 . . ?
C35 C36 H36A 120.3 . . ?
C38 C37 C36 120.3(4) . . ?
C38 C37 H37A 119.9 . . ?
C36 C37 H37A 119.9 . . ?
C37 C38 C39 120.4(4) . . ?
C37 C38 H38A 119.8 . . ?
C39 C38 H38A 119.8 . . ?
C38 C39 C40 119.9(4) . . ?
C38 C39 H39A 120.0 . . ?
C40 C39 H39A 120.0 . . ?
C39 C40 C35 120.3(4) . . ?
C39 C40 H40A 119.9 . . ?
C35 C40 H40A 119.9 . . ?
C42 C41 C46 119.2(4) . . ?
C42 C41 P2 122.9(3) . . ?
C46 C41 P2 117.7(3) . . ?
C43 C42 C41 120.2(4) . . ?
C43 C42 H42A 119.9 . . ?
C41 C42 H42A 119.9 . . ?
C42 C43 C44 120.1(4) . . ?
C42 C43 H43A 119.9 . . ?
C44 C43 H43A 119.9 . . ?
C45 C44 C43 119.9(4) . . ?
C45 C44 H44A 120.0 . . ?
C43 C44 H44A 120.0 . . ?
C44 C45 C46 120.2(4) . . ?
C44 C45 H45A 119.9 . . ?
C46 C45 H45A 119.9 . . ?
C45 C46 C41 120.3(4) . . ?
C45 C46 H46A 119.8 . . ?
C41 C46 H46A 119.8 . . ?

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 F1 -177.9(4) . . . . ?
Au1 C1 C2 F1 -5.4(6) . . . . ?
C6 C1 C2 C3 2.7(7) . . . . ?
Au1 C1 C2 C3 175.2(4) . . . . ?
C1 C2 C3 C4 -2.2(8) . . . . ?
F1 C2 C3 C4 178.4(4) . . . . ?
C1 C2 C3 Cl1 178.0(4) . . . . ?
F1 C2 C3 Cl1 -1.4(6) . . . . ?
C2 C3 C4 F2 -180.0(4) . . . . ?
Cl1 C3 C4 F2 -0.2(7) . . . . ?
C2 C3 C4 C5 1.0(7) . . . . ?
Cl1 C3 C4 C5 -179.2(4) . . . . ?
F2 C4 C5 C6 -179.7(4) . . . . ?
C3 C4 C5 C6 -0.6(7) . . . . ?
F2 C4 C5 Cl2 -1.1(6) . . . . ?
C3 C4 C5 Cl2 178.0(4) . . . . ?
C4 C5 C6 F3 180.0(4) . . . . ?
Cl2 C5 C6 F3 1.4(6) . . . . ?
C4 C5 C6 C1 1.4(7) . . . . ?
Cl2 C5 C6 C1 -177.2(4) . . . . ?
C2 C1 C6 F3 179.1(4) . . . . ?
Au1 C1 C6 F3 7.1(6) . . . . ?
C2 C1 C6 C5 -2.3(7) . . . . ?
Au1 C1 C6 C5 -174.3(4) . . . . ?
C11 N1 C7 C8 2.1(6) . . . . ?
Cu1 N1 C7 C8 -174.6(3) . . . . ?
C11 N1 C7 P1 -173.6(3) . . . . ?
Cu1 N1 C7 P1 9.7(4) . . . . ?
C18 P1 C7 N1 -169.7(3) . . . . ?
C12 P1 C7 N1 75.7(3) . . . . ?
Au1 P1 C7 N1 -44.6(3) . . . . ?
C18 P1 C7 C8 14.6(4) . . . . ?
C12 P1 C7 C8 -100.0(4) . . . . ?
Au1 P1 C7 C8 139.7(3) . . . . ?
N1 C7 C8 C9 -2.0(7) . . . . ?
P1 C7 C8 C9 173.3(3) . . . . ?
C7 C8 C9 C10 0.7(7) . . . . ?
C8 C9 C10 C11 0.5(7) . . . . ?
C7 N1 C11 C10 -0.8(6) . . . . ?
Cu1 N1 C11 C10 175.8(4) . . . . ?
C9 C10 C11 N1 -0.4(7) . . . . ?
C18 P1 C12 C13 117.3(4) . . . . ?
C7 P1 C12 C13 -132.3(4) . . . . ?
Au1 P1 C12 C13 -7.5(4) . . . . ?
C18 P1 C12 C17 -66.3(4) . . . . ?
C7 P1 C12 C17 44.1(4) . . . . ?
Au1 P1 C12 C17 169.0(3) . . . . ?
C17 C12 C13 C14 -1.2(7) . . . . ?
P1 C12 C13 C14 175.3(4) . . . . ?
C12 C13 C14 C15 1.7(7) . . . . ?
C13 C14 C15 C16 -1.0(7) . . . . ?
C14 C15 C16 C17 -0.1(7) . . . . ?
C15 C16 C17 C12 0.6(7) . . . . ?
C13 C12 C17 C16 0.0(6) . . . . ?
P1 C12 C17 C16 -176.4(3) . . . . ?
C12 P1 C18 C23 -145.5(3) . . . . ?
C7 P1 C18 C23 107.1(4) . . . . ?
Au1 P1 C18 C23 -21.3(4) . . . . ?
C12 P1 C18 C19 35.6(5) . . . . ?
C7 P1 C18 C19 -71.7(4) . . . . ?
Au1 P1 C18 C19 159.8(4) . . . . ?
C23 C18 C19 C20 -0.9(7) . . . . ?
P1 C18 C19 C20 177.9(4) . . . . ?
C18 C19 C20 C21 1.8(8) . . . . ?
C19 C20 C21 C22 -1.6(8) . . . . ?
C20 C21 C22 C23 0.5(7) . . . . ?
C21 C22 C23 C18 0.3(7) . . . . ?
C19 C18 C23 C22 -0.1(7) . . . . ?
P1 C18 C23 C22 -179.0(3) . . . . ?
C29 C24 C25 F4 177.9(4) . . . . ?
Au2 C24 C25 F4 -3.2(6) . . . . ?
C29 C24 C25 C26 -3.1(6) . . . . ?
Au2 C24 C25 C26 175.9(3) . . . . ?
F4 C25 C26 C27 179.2(4) . . . . ?
C24 C25 C26 C27 0.1(7) . . . . ?
F4 C25 C26 Cl3 -1.5(6) . . . . ?
C24 C25 C26 Cl3 179.5(3) . . . . ?
C25 C26 C27 F5 -178.4(4) . . . . ?
Cl3 C26 C27 F5 2.3(6) . . . . ?
C25 C26 C27 C28 2.4(7) . . . . ?
Cl3 C26 C27 C28 -176.9(4) . . . . ?
F5 C27 C28 C29 179.1(4) . . . . ?
C26 C27 C28 C29 -1.7(7) . . . . ?
F5 C27 C28 Cl4 -0.3(6) . . . . ?
C26 C27 C28 Cl4 178.9(4) . . . . ?
C27 C28 C29 F6 178.4(4) . . . . ?
Cl4 C28 C29 F6 -2.2(6) . . . . ?
C27 C28 C29 C24 -1.7(7) . . . . ?
Cl4 C28 C29 C24 177.7(3) . . . . ?
C25 C24 C29 F6 -176.1(4) . . . . ?
Au2 C24 C29 F6 4.8(5) . . . . ?
C25 C24 C29 C28 3.9(6) . . . . ?
Au2 C24 C29 C28 -175.1(3) . . . . ?
C34 N2 C30 C31 3.0(6) . . . . ?
Cu1 N2 C30 C31 -172.0(3) . . . . ?
C34 N2 C30 P2 -174.1(3) . . . . ?
Cu1 N2 C30 P2 10.9(5) . . . . ?
C41 P2 C30 N2 -163.9(3) . . . . ?
C35 P2 C30 N2 86.1(3) . . . . ?
Au2 P2 C30 N2 -35.3(4) . . . . ?
C41 P2 C30 C31 19.0(4) . . . . ?
C35 P2 C30 C31 -91.0(4) . . . . ?
Au2 P2 C30 C31 147.6(3) . . . . ?
N2 C30 C31 C32 -2.1(7) . . . . ?
P2 C30 C31 C32 174.8(4) . . . . ?
C30 C31 C32 C33 0.0(7) . . . . ?
C31 C32 C33 C34 1.0(8) . . . . ?
C30 N2 C34 C33 -2.0(7) . . . . ?
Cu1 N2 C34 C33 173.4(4) . . . . ?
C32 C33 C34 N2 0.0(8) . . . . ?
C41 P2 C35 C40 100.1(3) . . . . ?
C30 P2 C35 C40 -147.9(3) . . . . ?
Au2 P2 C35 C40 -23.1(3) . . . . ?
C41 P2 C35 C36 -73.9(4) . . . . ?
C30 P2 C35 C36 38.0(4) . . . . ?
Au2 P2 C35 C36 162.8(3) . . . . ?
C40 C35 C36 C37 -1.7(6) . . . . ?
P2 C35 C36 C37 172.2(3) . . . . ?
C35 C36 C37 C38 0.2(6) . . . . ?
C36 C37 C38 C39 1.7(6) . . . . ?
C37 C38 C39 C40 -2.0(6) . . . . ?
C38 C39 C40 C35 0.4(6) . . . . ?
C36 C35 C40 C39 1.4(6) . . . . ?
P2 C35 C40 C39 -172.8(3) . . . . ?
C35 P2 C41 C42 42.7(4) . . . . ?
C30 P2 C41 C42 -67.0(4) . . . . ?
Au2 P2 C41 C42 163.6(3) . . . . ?
C35 P2 C41 C46 -132.2(3) . . . . ?
C30 P2 C41 C46 118.0(4) . . . . ?
Au2 P2 C41 C46 -11.4(4) . . . . ?
C46 C41 C42 C43 -0.8(6) . . . . ?
P2 C41 C42 C43 -175.7(3) . . . . ?
C41 C42 C43 C44 0.2(7) . . . . ?
C42 C43 C44 C45 0.3(8) . . . . ?
C43 C44 C45 C46 -0.2(8) . . . . ?
C44 C45 C46 C41 -0.4(8) . . . . ?
C42 C41 C46 C45 0.9(7) . . . . ?
P2 C41 C46 C45 176.0(4) . . . . ?

_refine_diff_density_max         6.583
_refine_diff_density_min         -2.710
_refine_diff_density_rms         0.182

_shelxl_version_number           2014-3

_database_code_depnum_ccdc_archive 'CCDC 1011351'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_cat16_0m

# start Validation Reply Form
_vrf_PUBL006_GLOBAL              
;
PROBLEM: Refined Extinction Parameter within Range ......      0.667 Sigma 
RESPONSE: extinction refined essentially to zero with residual
within uncertainty.
;


_audit_creation_method           SHELXL-2014
_chemical_name_systematic        ?
_chemical_name_common            4
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C50.50 H29 Au2 B Cl5 Cu F10 N3 P2'
_chemical_formula_weight         1575.24

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'

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

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

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

_cell_length_a                   8.6930(3)
_cell_length_b                   14.8328(5)
_cell_length_c                   20.3022(6)
_cell_angle_alpha                80.5590(10)
_cell_angle_beta                 86.5160(10)
_cell_angle_gamma                88.4640(10)
_cell_volume                     2577.19(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9679
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      32.34

_exptl_crystal_description       rod
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.030
_exptl_crystal_F_000             1500
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.090
_exptl_absorpt_coefficient_mu    6.485
_shelx_estimated_absorpt_T_min   0.246
_shelx_estimated_absorpt_T_max   0.593
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.246
_exptl_absorpt_correction_T_max  0.593
_exptl_absorpt_process_details   SADABS

_exptl_special_details           ?

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            65604
_diffrn_reflns_av_unetI/netI     0.0174
_diffrn_reflns_av_R_equivalents  0.0214
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.392
_diffrn_reflns_theta_max         30.508
_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             15695
_reflns_number_gt                14411
_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    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_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)+(0.0150P)²+1.8687P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.00002(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         15695
_refine_ls_number_parameters     687
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0190
_refine_ls_R_factor_gt           0.0159
_refine_ls_wR_factor_ref         0.0369
_refine_ls_wR_factor_gt          0.0362
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_restrained_S_all      1.028
_refine_ls_shift/su_max          0.012
_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 0.70810(2) 0.52987(2) 0.64592(2) 0.01656(2) Uani 1 1 d . . . . .
Au2 Au 0.49208(2) 0.90458(2) 0.67556(2) 0.01437(2) Uani 1 1 d . . . . .
Cu1 Cu 0.66687(2) 0.71126(2) 0.76980(2) 0.01680(4) Uani 1 1 d . . . . .
P1 P 0.79397(5) 0.48125(3) 0.74977(2) 0.01513(8) Uani 1 1 d . . . . .
P2 P 0.56253(5) 0.92748(3) 0.77801(2) 0.01234(7) Uani 1 1 d . . . . .
N1 N 0.60343(16) 0.58022(10) 0.82316(7) 0.0148(3) Uani 1 1 d . . . . .
N2 N 0.52498(15) 0.75371(9) 0.83899(7) 0.0128(2) Uani 1 1 d . . . . .
N3 N 0.79612(18) 0.73449(10) 0.69282(8) 0.0201(3) Uani 1 1 d . . . . .
Cl1 Cl 0.84987(5) 0.64404(3) 0.36739(2) 0.02699(9) Uani 1 1 d . . . . .
Cl2 Cl 0.25320(5) 0.66097(3) 0.45700(2) 0.02162(8) Uani 1 1 d . . . . .
Cl3 Cl 0.72064(5) 0.85985(3) 0.41482(2) 0.02053(8) Uani 1 1 d . . . . .
Cl4 Cl 0.10631(5) 0.90979(3) 0.45254(2) 0.02154(8) Uani 1 1 d . . . . .
F1 F 0.89742(12) 0.57349(8) 0.50698(6) 0.0254(2) Uani 1 1 d . . . . .
F2 F 0.51716(13) 0.67946(8) 0.35778(5) 0.0246(2) Uani 1 1 d . . . . .
F3 F 0.37709(13) 0.59090(8) 0.58573(5) 0.0243(2) Uani 1 1 d . . . . .
F4 F 0.71924(12) 0.87515(8) 0.55546(5) 0.0231(2) Uani 1 1 d . . . . .
F5 F 0.39658(12) 0.87618(8) 0.37852(5) 0.0207(2) Uani 1 1 d . . . . .
F6 F 0.18229(12) 0.91389(8) 0.59033(5) 0.0223(2) Uani 1 1 d . . . . .
B1 B 0.1608(2) 0.28643(14) 0.00421(10) 0.0198(4) Uani 1 1 d . . . . .
F7 F 0.28325(18) 0.22805(11) -0.00630(9) 0.0562(4) Uani 1 1 d . . . . .
F8 F 0.13833(18) 0.34683(11) -0.05395(7) 0.0475(4) Uani 1 1 d . . . . .
F9 F 0.02786(14) 0.23688(9) 0.02352(7) 0.0365(3) Uani 1 1 d . . . . .
F10 F 0.19941(17) 0.33339(9) 0.05416(6) 0.0378(3) Uani 1 1 d . . . . .
C1 C 0.6406(2) 0.57963(11) 0.55149(8) 0.0172(3) Uani 1 1 d . . . . .
C2 C 0.74674(19) 0.59314(12) 0.49701(9) 0.0177(3) Uani 1 1 d . . . . .
C3 C 0.7099(2) 0.62641(12) 0.43174(9) 0.0182(3) Uani 1 1 d . . . . .
C4 C 0.5569(2) 0.64706(12) 0.42009(8) 0.0174(3) Uani 1 1 d . . . . .
C5 C 0.44394(19) 0.63585(11) 0.47204(8) 0.0160(3) Uani 1 1 d . . . . .
C6 C 0.4900(2) 0.60238(11) 0.53587(8) 0.0170(3) Uani 1 1 d . . . . .
C7 C 0.64441(19) 0.49488(12) 0.81547(8) 0.0163(3) Uani 1 1 d . . . . .
C8 C 0.5741(2) 0.41786(12) 0.85432(9) 0.0210(3) Uani 1 1 d . . . . .
H8A H 0.6040 0.3581 0.8470 0.025 Uiso 1 1 calc R U . . .
C9 C 0.4618(2) 0.42988(13) 0.90296(10) 0.0227(4) Uani 1 1 d . . . . .
H9A H 0.4120 0.3785 0.9287 0.027 Uiso 1 1 calc R U . . .
C10 C 0.4213(2) 0.51845(12) 0.91432(9) 0.0189(3) Uani 1 1 d . . . . .
C11 C 0.49661(18) 0.59201(11) 0.87280(8) 0.0153(3) Uani 1 1 d . . . . .
C12 C 0.45976(18) 0.68426(11) 0.88310(8) 0.0141(3) Uani 1 1 d . . . . .
C13 C 0.35439(19) 0.69930(12) 0.93590(8) 0.0160(3) Uani 1 1 d . . . . .
C14 C 0.32364(19) 0.79010(12) 0.94429(8) 0.0175(3) Uani 1 1 d . . . . .
H14A H 0.2570 0.8032 0.9805 0.021 Uiso 1 1 calc R U . . .
C15 C 0.39063(19) 0.86042(12) 0.89975(8) 0.0161(3) Uani 1 1 d . . . . .
H15A H 0.3701 0.9222 0.9049 0.019 Uiso 1 1 calc R U . . .
C16 C 0.48930(18) 0.83976(11) 0.84677(8) 0.0134(3) Uani 1 1 d . . . . .
C17 C 0.3097(2) 0.53650(13) 0.96603(9) 0.0222(4) Uani 1 1 d . . . . .
H17A H 0.2569 0.4871 0.9929 0.027 Uiso 1 1 calc R U . . .
C18 C 0.2791(2) 0.62305(13) 0.97683(9) 0.0201(3) Uani 1 1 d . . . . .
H18A H 0.2068 0.6335 1.0119 0.024 Uiso 1 1 calc R U . . .
C19 C 0.4518(2) 0.89137(11) 0.57893(8) 0.0166(3) Uani 1 1 d . . . . .
C20 C 0.57428(19) 0.87973(11) 0.53398(8) 0.0167(3) Uani 1 1 d . . . . .
C21 C 0.56084(19) 0.87360(11) 0.46689(8) 0.0157(3) Uani 1 1 d . . . . .
C22 C 0.4142(2) 0.88130(11) 0.44286(8) 0.0159(3) Uani 1 1 d . . . . .
C23 C 0.28623(19) 0.89567(11) 0.48436(8) 0.0154(3) Uani 1 1 d . . . . .
C24 C 0.30938(19) 0.89973(11) 0.55114(8) 0.0160(3) Uani 1 1 d . . . . .
C25 C 0.8506(2) 0.36185(12) 0.76861(8) 0.0172(3) Uani 1 1 d . . . . .
C26 C 0.7989(2) 0.30106(12) 0.72940(9) 0.0212(3) Uani 1 1 d . . . . .
H26A H 0.7411 0.3231 0.6916 0.025 Uiso 1 1 calc R U . . .
C27 C 0.8323(2) 0.20805(13) 0.74584(10) 0.0258(4) Uani 1 1 d . . . . .
H27A H 0.7977 0.1665 0.7192 0.031 Uiso 1 1 calc R U . . .
C28 C 0.9162(2) 0.17615(13) 0.80117(11) 0.0265(4) Uani 1 1 d . . . . .
H28A H 0.9382 0.1126 0.8125 0.032 Uiso 1 1 calc R U . . .
C29 C 0.9684(2) 0.23665(13) 0.84012(10) 0.0259(4) Uani 1 1 d . . . . .
H29A H 1.0258 0.2143 0.8779 0.031 Uiso 1 1 calc R U . . .
C30 C 0.9367(2) 0.32954(12) 0.82387(9) 0.0212(3) Uani 1 1 d . . . . .
H30A H 0.9734 0.3710 0.8501 0.025 Uiso 1 1 calc R U . . .
C31 C 0.95538(19) 0.54766(11) 0.76679(8) 0.0160(3) Uani 1 1 d . . . . .
C32 C 1.0759(2) 0.56120(13) 0.71731(9) 0.0228(4) Uani 1 1 d . . . . .
H32A H 1.0771 0.5298 0.6801 0.027 Uiso 1 1 calc R U . . .
C33 C 1.1938(2) 0.62074(15) 0.72272(10) 0.0276(4) Uani 1 1 d . . . . .
H33A H 1.2767 0.6289 0.6897 0.033 Uiso 1 1 calc R U . . .
C34 C 1.1902(2) 0.66811(15) 0.77625(10) 0.0259(4) Uani 1 1 d . . . . .
H34A H 1.2676 0.7113 0.7785 0.031 Uiso 1 1 calc R U . . .
C35 C 1.0741(2) 0.65267(13) 0.82651(9) 0.0221(4) Uani 1 1 d . . . . .
H35A H 1.0739 0.6840 0.8637 0.027 Uiso 1 1 calc R U . . .
C36 C 0.9577(2) 0.59124(12) 0.82256(8) 0.0176(3) Uani 1 1 d . . . . .
H36A H 0.8802 0.5791 0.8578 0.021 Uiso 1 1 calc R U . . .
C37 C 0.49913(18) 1.03538(11) 0.80220(8) 0.0152(3) Uani 1 1 d . . . . .
C38 C 0.3997(2) 1.09178(12) 0.76190(9) 0.0182(3) Uani 1 1 d . . . . .
H38A H 0.3690 1.0743 0.7217 0.022 Uiso 1 1 calc R U . . .
C39 C 0.3449(2) 1.17378(13) 0.78031(10) 0.0250(4) Uani 1 1 d . . . . .
H39A H 0.2787 1.2127 0.7523 0.030 Uiso 1 1 calc R U . . .
C40 C 0.3873(2) 1.19831(13) 0.83938(11) 0.0274(4) Uani 1 1 d . . . . .
H40A H 0.3471 1.2532 0.8527 0.033 Uiso 1 1 calc R U . . .
C41 C 0.4884(2) 1.14304(14) 0.87956(11) 0.0272(4) Uani 1 1 d . . . . .
H41A H 0.5178 1.1604 0.9199 0.033 Uiso 1 1 calc R U . . .
C42 C 0.5462(2) 1.06264(13) 0.86048(9) 0.0218(3) Uani 1 1 d . . . . .
H42A H 0.6179 1.0259 0.8871 0.026 Uiso 1 1 calc R U . . .
C43 C 0.76993(18) 0.92358(11) 0.78221(8) 0.0133(3) Uani 1 1 d . . . . .
C44 C 0.8566(2) 0.95985(12) 0.72396(8) 0.0175(3) Uani 1 1 d . . . . .
H44A H 0.8064 0.9825 0.6842 0.021 Uiso 1 1 calc R U . . .
C45 C 1.0162(2) 0.96268(13) 0.72444(9) 0.0217(4) Uani 1 1 d . . . . .
H45A H 1.0754 0.9875 0.6851 0.026 Uiso 1 1 calc R U . . .
C46 C 1.0886(2) 0.92897(13) 0.78274(10) 0.0232(4) Uani 1 1 d . . . . .
H46A H 1.1977 0.9306 0.7831 0.028 Uiso 1 1 calc R U . . .
C47 C 1.0032(2) 0.89291(13) 0.84056(10) 0.0236(4) Uani 1 1 d . . . . .
H47A H 1.0540 0.8700 0.8802 0.028 Uiso 1 1 calc R U . . .
C48 C 0.84316(19) 0.89013(12) 0.84075(9) 0.0178(3) Uani 1 1 d . . . . .
H48A H 0.7845 0.8657 0.8804 0.021 Uiso 1 1 calc R U . . .
C49 C 0.8799(2) 0.73654(12) 0.64715(9) 0.0216(3) Uani 1 1 d . . . . .
C50 C 0.9861(3) 0.73589(15) 0.58890(11) 0.0321(5) Uani 1 1 d . . . . .
H50A H 0.9915 0.6744 0.5770 0.048 Uiso 1 1 calc R U . . .
H50B H 1.0887 0.7533 0.5993 0.048 Uiso 1 1 calc R U . . .
H50C H 0.9494 0.7795 0.5512 0.048 Uiso 1 1 calc R U . . .
C1S C 0.9730(7) 0.9606(3) 0.0262(3) 0.0449(12) Uani 0.5 1 d . . P . .
Cl1S Cl 0.8407(3) 0.99268(16) 0.00322(13) 0.0624(6) Uani 0.5 1 d . . P A .
Cl2S Cl 0.8312(3) 1.02763(12) -0.01779(10) 0.0415(4) Uani 0.5 1 d . . P A -2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 C1 2.0528(17) . ?
Au1 P1 2.2772(4) . ?
Au2 C19 2.0551(16) . ?
Au2 P2 2.2835(4) . ?
Cu1 N3 1.8586(15) . ?
Cu1 N2 1.9823(13) . ?
Cu1 N1 2.1330(14) . ?
P1 C25 1.8108(18) . ?
P1 C31 1.8176(17) . ?
P1 C7 1.8369(17) . ?
P2 C43 1.8090(16) . ?
P2 C37 1.8123(17) . ?
P2 C16 1.8405(16) . ?
N1 C7 1.337(2) . ?
N1 C11 1.358(2) . ?
N2 C16 1.337(2) . ?
N2 C12 1.361(2) . ?
N3 C49 1.140(2) . ?
Cl1 C3 1.7229(17) . ?
Cl2 C5 1.7241(17) . ?
Cl3 C21 1.7221(17) . ?
Cl4 C23 1.7228(17) . ?
F1 C2 1.354(2) . ?
F2 C4 1.3400(19) . ?
F3 C6 1.3598(19) . ?
F4 C20 1.3547(19) . ?
F5 C22 1.3390(18) . ?
F6 C24 1.3540(19) . ?
B1 F8 1.381(2) . ?
B1 F7 1.383(2) . ?
B1 F10 1.383(2) . ?
B1 F9 1.388(2) . ?
C1 C6 1.385(2) . ?
C1 C2 1.389(2) . ?
C2 C3 1.390(2) . ?
C3 C4 1.382(2) . ?
C4 C5 1.389(2) . ?
C5 C6 1.388(2) . ?
C7 C8 1.409(2) . ?
C8 C9 1.375(3) . ?
C8 H8A 0.9500 . ?
C9 C10 1.403(3) . ?
C9 H9A 0.9500 . ?
C10 C11 1.414(2) . ?
C10 C17 1.438(2) . ?
C11 C12 1.443(2) . ?
C12 C13 1.409(2) . ?
C13 C14 1.402(2) . ?
C13 C18 1.437(2) . ?
C14 C15 1.380(2) . ?
C14 H14A 0.9500 . ?
C15 C16 1.403(2) . ?
C15 H15A 0.9500 . ?
C17 C18 1.354(3) . ?
C17 H17A 0.9500 . ?
C18 H18A 0.9500 . ?
C19 C24 1.385(2) . ?
C19 C20 1.386(2) . ?
C20 C21 1.392(2) . ?
C21 C22 1.388(2) . ?
C22 C23 1.388(2) . ?
C23 C24 1.394(2) . ?
C25 C26 1.396(2) . ?
C25 C30 1.399(2) . ?
C26 C27 1.392(3) . ?
C26 H26A 0.9500 . ?
C27 C28 1.387(3) . ?
C27 H27A 0.9500 . ?
C28 C29 1.391(3) . ?
C28 H28A 0.9500 . ?
C29 C30 1.387(3) . ?
C29 H29A 0.9500 . ?
C30 H30A 0.9500 . ?
C31 C36 1.394(2) . ?
C31 C32 1.401(2) . ?
C32 C33 1.391(3) . ?
C32 H32A 0.9500 . ?
C33 C34 1.386(3) . ?
C33 H33A 0.9500 . ?
C34 C35 1.387(3) . ?
C34 H34A 0.9500 . ?
C35 C36 1.394(2) . ?
C35 H35A 0.9500 . ?
C36 H36A 0.9500 . ?
C37 C38 1.393(2) . ?
C37 C42 1.398(2) . ?
C38 C39 1.394(3) . ?
C38 H38A 0.9500 . ?
C39 C40 1.382(3) . ?
C39 H39A 0.9500 . ?
C40 C41 1.393(3) . ?
C40 H40A 0.9500 . ?
C41 C42 1.385(3) . ?
C41 H41A 0.9500 . ?
C42 H42A 0.9500 . ?
C43 C48 1.395(2) . ?
C43 C44 1.400(2) . ?
C44 C45 1.390(2) . ?
C44 H44A 0.9500 . ?
C45 C46 1.388(3) . ?
C45 H45A 0.9500 . ?
C46 C47 1.387(3) . ?
C46 H46A 0.9500 . ?
C47 C48 1.393(2) . ?
C47 H47A 0.9500 . ?
C48 H48A 0.9500 . ?
C49 C50 1.457(3) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C1S Cl1S 1.316(6) . ?
C1S C1S 1.510(11) 2_775 ?
C1S Cl2S 1.756(5) . ?
C1S Cl1S 1.808(7) 2_775 ?
Cl1S Cl2S 0.622(3) . ?
Cl1S C1S 1.808(7) 2_775 ?

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 176.56(5) . . ?
C19 Au2 P2 173.39(5) . . ?
N3 Cu1 N2 151.12(6) . . ?
N3 Cu1 N1 126.54(6) . . ?
N2 Cu1 N1 82.27(6) . . ?
C25 P1 C31 107.17(8) . . ?
C25 P1 C7 103.71(8) . . ?
C31 P1 C7 105.24(8) . . ?
C25 P1 Au1 116.33(6) . . ?
C31 P1 Au1 112.05(6) . . ?
C7 P1 Au1 111.47(6) . . ?
C43 P2 C37 105.89(7) . . ?
C43 P2 C16 105.63(7) . . ?
C37 P2 C16 104.91(8) . . ?
C43 P2 Au2 111.20(5) . . ?
C37 P2 Au2 115.34(6) . . ?
C16 P2 Au2 113.11(5) . . ?
C7 N1 C11 118.26(14) . . ?
C7 N1 Cu1 133.10(12) . . ?
C11 N1 Cu1 108.62(11) . . ?
C16 N2 C12 118.56(14) . . ?
C16 N2 Cu1 128.01(11) . . ?
C12 N2 Cu1 113.44(11) . . ?
C49 N3 Cu1 170.84(15) . . ?
F8 B1 F7 109.56(17) . . ?
F8 B1 F10 110.12(17) . . ?
F7 B1 F10 106.95(17) . . ?
F8 B1 F9 109.55(16) . . ?
F7 B1 F9 110.16(17) . . ?
F10 B1 F9 110.47(16) . . ?
C6 C1 C2 114.23(15) . . ?
C6 C1 Au1 124.57(13) . . ?
C2 C1 Au1 121.20(13) . . ?
F1 C2 C1 118.91(16) . . ?
F1 C2 C3 116.57(15) . . ?
C1 C2 C3 124.51(16) . . ?
C4 C3 C2 117.83(15) . . ?
C4 C3 Cl1 120.72(13) . . ?
C2 C3 Cl1 121.44(14) . . ?
F2 C4 C3 119.45(15) . . ?
F2 C4 C5 119.45(15) . . ?
C3 C4 C5 121.09(16) . . ?
C6 C5 C4 117.63(15) . . ?
C6 C5 Cl2 121.56(13) . . ?
C4 C5 Cl2 120.81(13) . . ?
F3 C6 C1 118.76(15) . . ?
F3 C6 C5 116.53(15) . . ?
C1 C6 C5 124.71(16) . . ?
N1 C7 C8 122.20(16) . . ?
N1 C7 P1 117.19(12) . . ?
C8 C7 P1 120.59(13) . . ?
C9 C8 C7 119.48(17) . . ?
C9 C8 H8A 120.3 . . ?
C7 C8 H8A 120.3 . . ?
C8 C9 C10 119.67(16) . . ?
C8 C9 H9A 120.2 . . ?
C10 C9 H9A 120.2 . . ?
C9 C10 C11 117.22(16) . . ?
C9 C10 C17 123.02(16) . . ?
C11 C10 C17 119.75(16) . . ?
N1 C11 C10 123.05(16) . . ?
N1 C11 C12 117.78(14) . . ?
C10 C11 C12 119.17(15) . . ?
N2 C12 C13 122.71(15) . . ?
N2 C12 C11 117.67(14) . . ?
C13 C12 C11 119.57(15) . . ?
C14 C13 C12 117.41(15) . . ?
C14 C13 C18 122.79(15) . . ?
C12 C13 C18 119.76(16) . . ?
C15 C14 C13 119.72(15) . . ?
C15 C14 H14A 120.1 . . ?
C13 C14 H14A 120.1 . . ?
C14 C15 C16 119.31(16) . . ?
C14 C15 H15A 120.3 . . ?
C16 C15 H15A 120.3 . . ?
N2 C16 C15 122.19(15) . . ?
N2 C16 P2 114.68(11) . . ?
C15 C16 P2 122.82(13) . . ?
C18 C17 C10 120.82(16) . . ?
C18 C17 H17A 119.6 . . ?
C10 C17 H17A 119.6 . . ?
C17 C18 C13 120.85(16) . . ?
C17 C18 H18A 119.6 . . ?
C13 C18 H18A 119.6 . . ?
C24 C19 C20 114.17(15) . . ?
C24 C19 Au2 125.65(13) . . ?
C20 C19 Au2 120.00(12) . . ?
F4 C20 C19 118.79(15) . . ?
F4 C20 C21 116.34(15) . . ?
C19 C20 C21 124.86(16) . . ?
C22 C21 C20 117.66(15) . . ?
C22 C21 Cl3 120.97(13) . . ?
C20 C21 Cl3 121.35(13) . . ?
F5 C22 C23 119.71(15) . . ?
F5 C22 C21 119.44(15) . . ?
C23 C22 C21 120.84(15) . . ?
C22 C23 C24 117.91(15) . . ?
C22 C23 Cl4 119.99(13) . . ?
C24 C23 Cl4 122.10(13) . . ?
F6 C24 C19 118.98(15) . . ?
F6 C24 C23 116.49(15) . . ?
C19 C24 C23 124.53(16) . . ?
C26 C25 C30 120.13(16) . . ?
C26 C25 P1 118.88(14) . . ?
C30 C25 P1 120.88(13) . . ?
C27 C26 C25 119.76(17) . . ?
C27 C26 H26A 120.1 . . ?
C25 C26 H26A 120.1 . . ?
C28 C27 C26 119.92(17) . . ?
C28 C27 H27A 120.0 . . ?
C26 C27 H27A 120.0 . . ?
C27 C28 C29 120.39(18) . . ?
C27 C28 H28A 119.8 . . ?
C29 C28 H28A 119.8 . . ?
C30 C29 C28 120.14(18) . . ?
C30 C29 H29A 119.9 . . ?
C28 C29 H29A 119.9 . . ?
C29 C30 C25 119.64(17) . . ?
C29 C30 H30A 120.2 . . ?
C25 C30 H30A 120.2 . . ?
C36 C31 C32 119.64(16) . . ?
C36 C31 P1 123.49(13) . . ?
C32 C31 P1 116.61(13) . . ?
C33 C32 C31 119.94(17) . . ?
C33 C32 H32A 120.0 . . ?
C31 C32 H32A 120.0 . . ?
C34 C33 C32 120.00(17) . . ?
C34 C33 H33A 120.0 . . ?
C32 C33 H33A 120.0 . . ?
C33 C34 C35 120.26(18) . . ?
C33 C34 H34A 119.9 . . ?
C35 C34 H34A 119.9 . . ?
C34 C35 C36 120.18(17) . . ?
C34 C35 H35A 119.9 . . ?
C36 C35 H35A 119.9 . . ?
C35 C36 C31 119.79(16) . . ?
C35 C36 H36A 120.1 . . ?
C31 C36 H36A 120.1 . . ?
C38 C37 C42 119.47(16) . . ?
C38 C37 P2 118.86(13) . . ?
C42 C37 P2 121.67(13) . . ?
C37 C38 C39 120.20(17) . . ?
C37 C38 H38A 119.9 . . ?
C39 C38 H38A 119.9 . . ?
C40 C39 C38 119.84(18) . . ?
C40 C39 H39A 120.1 . . ?
C38 C39 H39A 120.1 . . ?
C39 C40 C41 120.39(18) . . ?
C39 C40 H40A 119.8 . . ?
C41 C40 H40A 119.8 . . ?
C42 C41 C40 119.85(18) . . ?
C42 C41 H41A 120.1 . . ?
C40 C41 H41A 120.1 . . ?
C41 C42 C37 120.17(18) . . ?
C41 C42 H42A 119.9 . . ?
C37 C42 H42A 119.9 . . ?
C48 C43 C44 120.24(15) . . ?
C48 C43 P2 122.83(12) . . ?
C44 C43 P2 116.87(12) . . ?
C45 C44 C43 119.94(16) . . ?
C45 C44 H44A 120.0 . . ?
C43 C44 H44A 120.0 . . ?
C46 C45 C44 119.61(16) . . ?
C46 C45 H45A 120.2 . . ?
C44 C45 H45A 120.2 . . ?
C47 C46 C45 120.66(16) . . ?
C47 C46 H46A 119.7 . . ?
C45 C46 H46A 119.7 . . ?
C46 C47 C48 120.23(17) . . ?
C46 C47 H47A 119.9 . . ?
C48 C47 H47A 119.9 . . ?
C47 C48 C43 119.32(16) . . ?
C47 C48 H48A 120.3 . . ?
C43 C48 H48A 120.3 . . ?
N3 C49 C50 178.1(2) . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
Cl1S C1S C1S 79.2(4) . 2_775 ?
Cl1S C1S Cl2S 16.62(18) . . ?
C1S C1S Cl2S 62.6(3) 2_775 . ?
Cl1S C1S Cl1S 124.9(4) . 2_775 ?
C1S C1S Cl1S 45.7(3) 2_775 2_775 ?
Cl2S C1S Cl1S 108.3(3) . 2_775 ?
Cl2S Cl1S C1S 126.2(6) . . ?
Cl2S Cl1S C1S 71.1(4) . 2_775 ?
C1S Cl1S C1S 55.1(4) . 2_775 ?
Cl1S Cl2S C1S 37.2(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
C6 C1 C2 F1 179.62(15) . . . . ?
Au1 C1 C2 F1 -0.4(2) . . . . ?
C6 C1 C2 C3 0.0(3) . . . . ?
Au1 C1 C2 C3 179.92(13) . . . . ?
F1 C2 C3 C4 180.00(15) . . . . ?
C1 C2 C3 C4 -0.4(3) . . . . ?
F1 C2 C3 Cl1 -1.5(2) . . . . ?
C1 C2 C3 Cl1 178.20(14) . . . . ?
C2 C3 C4 F2 179.87(15) . . . . ?
Cl1 C3 C4 F2 1.3(2) . . . . ?
C2 C3 C4 C5 0.7(3) . . . . ?
Cl1 C3 C4 C5 -177.89(13) . . . . ?
F2 C4 C5 C6 -179.80(15) . . . . ?
C3 C4 C5 C6 -0.6(2) . . . . ?
F2 C4 C5 Cl2 1.3(2) . . . . ?
C3 C4 C5 Cl2 -179.52(13) . . . . ?
C2 C1 C6 F3 179.47(14) . . . . ?
Au1 C1 C6 F3 -0.5(2) . . . . ?
C2 C1 C6 C5 0.1(2) . . . . ?
Au1 C1 C6 C5 -179.85(13) . . . . ?
C4 C5 C6 F3 -179.18(14) . . . . ?
Cl2 C5 C6 F3 -0.3(2) . . . . ?
C4 C5 C6 C1 0.2(3) . . . . ?
Cl2 C5 C6 C1 179.12(14) . . . . ?
C11 N1 C7 C8 3.8(2) . . . . ?
Cu1 N1 C7 C8 -173.87(13) . . . . ?
C11 N1 C7 P1 -177.95(12) . . . . ?
Cu1 N1 C7 P1 4.4(2) . . . . ?
C25 P1 C7 N1 166.13(13) . . . . ?
C31 P1 C7 N1 53.72(15) . . . . ?
Au1 P1 C7 N1 -67.96(14) . . . . ?
C25 P1 C7 C8 -15.61(16) . . . . ?
C31 P1 C7 C8 -128.02(15) . . . . ?
Au1 P1 C7 C8 110.30(14) . . . . ?
N1 C7 C8 C9 -1.5(3) . . . . ?
P1 C7 C8 C9 -179.65(14) . . . . ?
C7 C8 C9 C10 -1.5(3) . . . . ?
C8 C9 C10 C11 1.9(3) . . . . ?
C8 C9 C10 C17 -177.35(18) . . . . ?
C7 N1 C11 C10 -3.4(2) . . . . ?
Cu1 N1 C11 C10 174.87(13) . . . . ?
C7 N1 C11 C12 176.53(15) . . . . ?
Cu1 N1 C11 C12 -5.25(17) . . . . ?
C9 C10 C11 N1 0.5(3) . . . . ?
C17 C10 C11 N1 179.79(16) . . . . ?
C9 C10 C11 C12 -179.36(16) . . . . ?
C17 C10 C11 C12 -0.1(2) . . . . ?
C16 N2 C12 C13 1.1(2) . . . . ?
Cu1 N2 C12 C13 -179.45(12) . . . . ?
C16 N2 C12 C11 178.41(14) . . . . ?
Cu1 N2 C12 C11 -2.10(18) . . . . ?
N1 C11 C12 N2 5.2(2) . . . . ?
C10 C11 C12 N2 -174.86(15) . . . . ?
N1 C11 C12 C13 -177.32(15) . . . . ?
C10 C11 C12 C13 2.6(2) . . . . ?
N2 C12 C13 C14 -3.4(2) . . . . ?
C11 C12 C13 C14 179.33(15) . . . . ?
N2 C12 C13 C18 174.24(15) . . . . ?
C11 C12 C13 C18 -3.1(2) . . . . ?
C12 C13 C14 C15 2.9(2) . . . . ?
C18 C13 C14 C15 -174.66(16) . . . . ?
C13 C14 C15 C16 -0.3(2) . . . . ?
C12 N2 C16 C15 1.8(2) . . . . ?
Cu1 N2 C16 C15 -177.63(12) . . . . ?
C12 N2 C16 P2 -171.95(11) . . . . ?
Cu1 N2 C16 P2 8.63(18) . . . . ?
C14 C15 C16 N2 -2.2(2) . . . . ?
C14 C15 C16 P2 171.04(13) . . . . ?
C43 P2 C16 N2 -67.87(13) . . . . ?
C37 P2 C16 N2 -179.50(12) . . . . ?
Au2 P2 C16 N2 53.97(13) . . . . ?
C43 P2 C16 C15 118.43(14) . . . . ?
C37 P2 C16 C15 6.80(15) . . . . ?
Au2 P2 C16 C15 -119.72(13) . . . . ?
C9 C10 C17 C18 177.25(18) . . . . ?
C11 C10 C17 C18 -2.0(3) . . . . ?
C10 C17 C18 C13 1.5(3) . . . . ?
C14 C13 C18 C17 178.51(17) . . . . ?
C12 C13 C18 C17 1.0(3) . . . . ?
C24 C19 C20 F4 176.96(14) . . . . ?
Au2 C19 C20 F4 1.5(2) . . . . ?
C24 C19 C20 C21 -2.0(2) . . . . ?
Au2 C19 C20 C21 -177.42(13) . . . . ?
F4 C20 C21 C22 -177.79(14) . . . . ?
C19 C20 C21 C22 1.2(3) . . . . ?
F4 C20 C21 Cl3 0.6(2) . . . . ?
C19 C20 C21 Cl3 179.57(14) . . . . ?
C20 C21 C22 F5 179.70(14) . . . . ?
Cl3 C21 C22 F5 1.3(2) . . . . ?
C20 C21 C22 C23 0.7(2) . . . . ?
Cl3 C21 C22 C23 -177.65(13) . . . . ?
F5 C22 C23 C24 179.42(14) . . . . ?
C21 C22 C23 C24 -1.6(2) . . . . ?
F5 C22 C23 Cl4 -1.7(2) . . . . ?
C21 C22 C23 Cl4 177.28(13) . . . . ?
C20 C19 C24 F6 -178.21(14) . . . . ?
Au2 C19 C24 F6 -3.1(2) . . . . ?
C20 C19 C24 C23 1.0(2) . . . . ?
Au2 C19 C24 C23 176.13(13) . . . . ?
C22 C23 C24 F6 179.95(14) . . . . ?
Cl4 C23 C24 F6 1.1(2) . . . . ?
C22 C23 C24 C19 0.7(3) . . . . ?
Cl4 C23 C24 C19 -178.16(14) . . . . ?
C31 P1 C25 C26 -144.80(14) . . . . ?
C7 P1 C25 C26 104.19(15) . . . . ?
Au1 P1 C25 C26 -18.57(16) . . . . ?
C31 P1 C25 C30 39.04(17) . . . . ?
C7 P1 C25 C30 -71.96(16) . . . . ?
Au1 P1 C25 C30 165.28(13) . . . . ?
C30 C25 C26 C27 0.6(3) . . . . ?
P1 C25 C26 C27 -175.63(15) . . . . ?
C25 C26 C27 C28 0.2(3) . . . . ?
C26 C27 C28 C29 -0.5(3) . . . . ?
C27 C28 C29 C30 0.0(3) . . . . ?
C28 C29 C30 C25 0.8(3) . . . . ?
C26 C25 C30 C29 -1.0(3) . . . . ?
P1 C25 C30 C29 175.06(15) . . . . ?
C25 P1 C31 C36 -105.48(16) . . . . ?
C7 P1 C31 C36 4.47(17) . . . . ?
Au1 P1 C31 C36 125.77(14) . . . . ?
C25 P1 C31 C32 80.37(15) . . . . ?
C7 P1 C31 C32 -169.68(14) . . . . ?
Au1 P1 C31 C32 -48.38(15) . . . . ?
C36 C31 C32 C33 -2.6(3) . . . . ?
P1 C31 C32 C33 171.82(16) . . . . ?
C31 C32 C33 C34 -1.4(3) . . . . ?
C32 C33 C34 C35 3.6(3) . . . . ?
C33 C34 C35 C36 -1.8(3) . . . . ?
C34 C35 C36 C31 -2.2(3) . . . . ?
C32 C31 C36 C35 4.3(3) . . . . ?
P1 C31 C36 C35 -169.63(14) . . . . ?
C43 P2 C37 C38 130.47(13) . . . . ?
C16 P2 C37 C38 -118.08(13) . . . . ?
Au2 P2 C37 C38 7.05(15) . . . . ?
C43 P2 C37 C42 -50.28(16) . . . . ?
C16 P2 C37 C42 61.17(16) . . . . ?
Au2 P2 C37 C42 -173.69(12) . . . . ?
C42 C37 C38 C39 -1.4(3) . . . . ?
P2 C37 C38 C39 177.91(14) . . . . ?
C37 C38 C39 C40 -1.2(3) . . . . ?
C38 C39 C40 C41 2.1(3) . . . . ?
C39 C40 C41 C42 -0.5(3) . . . . ?
C40 C41 C42 C37 -2.1(3) . . . . ?
C38 C37 C42 C41 3.0(3) . . . . ?
P2 C37 C42 C41 -176.21(15) . . . . ?
C37 P2 C43 C48 87.20(15) . . . . ?
C16 P2 C43 C48 -23.75(16) . . . . ?
Au2 P2 C43 C48 -146.82(13) . . . . ?
C37 P2 C43 C44 -90.05(14) . . . . ?
C16 P2 C43 C44 159.01(13) . . . . ?
Au2 P2 C43 C44 35.94(14) . . . . ?
C48 C43 C44 C45 -0.1(3) . . . . ?
P2 C43 C44 C45 177.23(13) . . . . ?
C43 C44 C45 C46 0.3(3) . . . . ?
C44 C45 C46 C47 -0.3(3) . . . . ?
C45 C46 C47 C48 0.0(3) . . . . ?
C46 C47 C48 C43 0.3(3) . . . . ?
C44 C43 C48 C47 -0.2(3) . . . . ?
P2 C43 C48 C47 -177.38(14) . . . . ?
C1S C1S Cl1S Cl2S -4.7(7) 2_775 . . . ?
Cl1S C1S Cl1S Cl2S -4.7(7) 2_775 . . . ?
Cl2S C1S Cl1S C1S 4.7(7) . . . 2_775 ?
Cl1S C1S Cl1S C1S -0.003(1) 2_775 . . 2_775 ?
C1S Cl1S Cl2S C1S -4.1(6) 2_775 . . . ?
C1S C1S Cl2S Cl1S 174.8(8) 2_775 . . . ?
Cl1S C1S Cl2S Cl1S 175.9(6) 2_775 . . . ?

_refine_diff_density_max         0.699
_refine_diff_density_min         -0.809
_refine_diff_density_rms         0.078

_shelxl_version_number           2014-3

_database_code_depnum_ccdc_archive 'CCDC 1011352'
