# Electronic Supplementary Material (ESI) for Catalysis Science & Technology.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_ta1141_mo1
_database_code_depnum_ccdc_archive 'CCDC 1484587'
_audit_update_record             
;
2016-06-10 deposited with the CCDC.
2017-12-12 downloaded from the CCDC.
;
_audit_creation_date             2015-09-29
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H17 Au Cl F4 N2 O P'
_chemical_formula_sum            'C25 H17 Au Cl F4 N2 O P'
_chemical_formula_weight         700.79
_chemical_melting_point          ?
_chemical_oxdiff_formula         C25H17AuClF4N2OP
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   19.942(2)
_cell_length_b                   10.9697(7)
_cell_length_c                   24.135(2)
_cell_angle_alpha                90
_cell_angle_beta                 112.700(11)
_cell_angle_gamma                90
_cell_volume                     4870.6(8)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9243
_cell_measurement_temperature    250(2)
_cell_measurement_theta_max      24.3870
_cell_measurement_theta_min      3.7200
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.268
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.48901
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'CrysAlisPro 1.171.38.32a (Rigaku Oxford Diffraction, 2015) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.911
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2688
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0720
_diffrn_reflns_av_unetI/netI     0.0726
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            44413
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.369
_diffrn_reflns_theta_min         3.333
_diffrn_ambient_temperature      250(2)
_diffrn_detector                 PILT
_diffrn_detector_area_resol_mean 5.8140
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  φ   -170.50 171.50   0.50   30.00   0.00 -10.00  24.00    --   684
  2  φ    132.00 177.00   0.50   30.00   0.00 -10.00 -56.00    --    90
;
_diffrn_measurement_device       'AFC12 (Right): Kappa 3 circle'
_diffrn_measurement_device_type  'Rigaku Pilatus 200K'
_diffrn_measurement_method       'φ scans'
_diffrn_measurement_specimen_support Fiber
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0086761000
_diffrn_orient_matrix_UB_12      0.0050682000
_diffrn_orient_matrix_UB_13      0.0257932000
_diffrn_orient_matrix_UB_21      -0.0303228000
_diffrn_orient_matrix_UB_22      -0.0388597000
_diffrn_orient_matrix_UB_23      -0.0136207000
_diffrn_orient_matrix_UB_31      0.0221952000
_diffrn_orient_matrix_UB_32      -0.0513962000
_diffrn_orient_matrix_UB_33      0.0127958000
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   MicroMax003_Mo
_diffrn_source_current           0.6
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_source_voltage           50.0
_diffrn_special_details          
;
 ?
;
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6619
_reflns_number_total             9919
_reflns_odcompleteness_completeness 99.51
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.31
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.32a (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.32a (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.32a (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.016
_refine_diff_density_min         -1.226
_refine_diff_density_rms         0.256
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     585
_refine_ls_number_reflns         9919
_refine_ls_number_restraints     10
_refine_ls_R_factor_all          0.0895
_refine_ls_R_factor_gt           0.0486
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0668P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1096
_refine_ls_wR_factor_ref         0.1371
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 N1-C15 = N3-C15 = N2-C19 = N4-C19
 1.42 with sigma of 0.02
 N5-C42 = N7-C42 = N6-C44 = N8-C44
 1.42 with sigma of 0.02
 N7-N8 = N5-N6
 1.24 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(N6) = Uanis(N5) = Uanis(N8) = Uanis(N7)
Uanis(N3) = Uanis(N1) = Uanis(N4) = Uanis(N2)
4. Others
 Fixed Sof: N1(0.5) N2(0.5) N3(0.5) N4(0.5) N5(0.5) N6(0.5) N7(0.5) N8(0.5)
5.a Aromatic/amide H refined with riding coordinates:
 C6(H6), C5(H5), C4(H4), C3(H3), C2(H2), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C17(H17), C18(H18), C21(H21), C23(H23), C31(H31), C30(H30), C29(H29),
  C28(H28), C27(H27), C33(H33), C34(H34), C35(H35), C36(H36), C37(H37),
 C39(H39), C40(H40), C46(H46), C48(H48)
5.b Fitted hexagon refined as free rotating group:
 C1(C6,C5,C4,C3,C2), C7(C8,C9,C10,C11,C12), C26(C31,C30,C29,C28,C27), C32(C33,
 C34,C35,C36,C37)
5.c Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C), C50(H50A,H50B,H50C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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 0.06879(2) 0.24009(3) 0.79035(2) 0.05406(13) Uani 1 1 d . . . . .
Cl1 Cl 0.00203(18) 0.0658(2) 0.76163(13) 0.0892(9) Uani 1 1 d . . . . .
P1 P 0.13434(13) 0.4093(2) 0.82145(10) 0.0512(5) Uani 1 1 d . . . . .
F1 F 0.2504(3) 0.2352(5) 0.8858(3) 0.0913(19) Uani 1 1 d . . . . .
F2 F 0.2840(4) 0.3388(7) 1.0845(3) 0.122(3) Uani 1 1 d . . . . .
F3 F 0.4044(6) 0.0679(8) 1.1394(5) 0.162(4) Uani 1 1 d . . . . .
F4 F 0.3851(4) -0.0226(6) 0.9457(3) 0.108(2) Uani 1 1 d . . . . .
O1 O 0.5454(5) -0.2437(8) 1.1018(4) 0.103(3) Uani 1 1 d . . . . .
N1 N 0.3179(8) 0.1983(15) 1.0266(7) 0.062(2) Uani 0.5 1 d D . P A 2
N2 N 0.3378(10) 0.1269(16) 0.9967(11) 0.062(2) Uani 0.5 1 d D . P A 2
N3 N 0.3241(10) 0.1742(16) 0.9888(11) 0.062(2) Uani 0.5 1 d D . P A 1
N4 N 0.3482(8) 0.1293(13) 1.0415(7) 0.062(2) Uani 0.5 1 d D . P A 1
C1 C 0.1960(3) 0.4411(6) 0.7857(3) 0.056(2) Uani 1 1 d . . . . .
C6 C 0.1785(4) 0.3946(8) 0.7282(3) 0.129(6) Uani 1 1 d G . . . .
H6 H 0.1379 0.3448 0.7111 0.155 Uiso 1 1 calc R . . . .
C5 C 0.2215(5) 0.4225(10) 0.6964(3) 0.142(6) Uani 1 1 d G . . . .
H5 H 0.2098 0.3914 0.6579 0.171 Uiso 1 1 calc R . . . .
C4 C 0.2821(5) 0.4970(9) 0.7220(4) 0.099(4) Uani 1 1 d G . . . .
H4 H 0.3109 0.5157 0.7007 0.118 Uiso 1 1 calc R . . . .
C3 C 0.2996(4) 0.5435(9) 0.7795(5) 0.170(9) Uani 1 1 d G . . . .
H3 H 0.3402 0.5933 0.7966 0.204 Uiso 1 1 calc R . . . .
C2 C 0.2566(4) 0.5155(8) 0.8113(3) 0.132(6) Uani 1 1 d G . . . .
H2 H 0.2683 0.5466 0.8498 0.158 Uiso 1 1 calc R . . . .
C7 C 0.0778(3) 0.5445(4) 0.8099(3) 0.050(2) Uani 1 1 d . . . . .
C8 C 0.0028(3) 0.5303(4) 0.7876(3) 0.064(2) Uani 1 1 d G . . . .
H8 H -0.0175 0.4526 0.7799 0.076 Uiso 1 1 calc R . . . .
C9 C -0.0420(2) 0.6320(6) 0.7769(3) 0.076(3) Uani 1 1 d G . . . .
H9 H -0.0922 0.6225 0.7620 0.092 Uiso 1 1 calc R . . . .
C10 C -0.0117(4) 0.7481(5) 0.7885(3) 0.073(3) Uani 1 1 d G . . . .
H10 H -0.0416 0.8161 0.7813 0.087 Uiso 1 1 calc R . . . .
C11 C 0.0634(4) 0.7623(4) 0.8108(3) 0.082(3) Uani 1 1 d G . . . .
H11 H 0.0836 0.8399 0.8185 0.099 Uiso 1 1 calc R . . . .
C12 C 0.1081(3) 0.6605(5) 0.8215(3) 0.072(3) Uani 1 1 d G . . . .
H12 H 0.1583 0.6700 0.8364 0.086 Uiso 1 1 calc R . . . .
C13 C 0.1877(5) 0.4016(7) 0.9023(4) 0.053(2) Uani 1 1 d . . . . .
C14 C 0.2372(5) 0.3091(9) 0.9257(5) 0.066(3) Uani 1 1 d . . . . .
C15 C 0.2731(6) 0.2777(10) 0.9853(6) 0.085(3) Uani 1 1 d D . . . .
C16 C 0.2544(7) 0.3549(15) 1.0233(5) 0.103(5) Uani 1 1 d . . . . .
C17 C 0.2055(6) 0.4534(12) 1.0046(5) 0.083(3) Uani 1 1 d . . . . .
H17 H 0.1953 0.5018 1.0320 0.099 Uiso 1 1 calc R . . . .
C18 C 0.1734(5) 0.4746(9) 0.9436(4) 0.062(2) Uani 1 1 d . . . . .
H18 H 0.1413 0.5396 0.9298 0.074 Uiso 1 1 calc R . . . .
C19 C 0.3900(6) 0.0354(10) 1.0379(7) 0.088(3) Uani 1 1 d D . . . .
C20 C 0.4150(6) -0.0420(10) 1.0061(5) 0.078(3) Uani 1 1 d . . . . .
C21 C 0.4632(5) -0.1321(9) 1.0247(5) 0.068(3) Uani 1 1 d . . . . .
H21 H 0.4750 -0.1798 0.9979 0.082 Uiso 1 1 calc R . . . .
C22 C 0.4947(6) -0.1512(10) 1.0860(6) 0.081(3) Uani 1 1 d . . . . .
C23 C 0.4733(7) -0.0837(13) 1.1242(6) 0.096(4) Uani 1 1 d . . . . .
H23 H 0.4928 -0.0980 1.1654 0.115 Uiso 1 1 calc R . . . .
C24 C 0.4225(9) 0.0049(13) 1.0998(9) 0.115(5) Uani 1 1 d . . . . .
C25 C 0.5892(10) -0.2614(18) 1.1649(7) 0.171(8) Uani 1 1 d . . . . .
H25A H 0.6264 -0.3206 1.1693 0.257 Uiso 1 1 calc GR . . . .
H25B H 0.5590 -0.2898 1.1850 0.257 Uiso 1 1 calc GR . . . .
H25C H 0.6113 -0.1855 1.1823 0.257 Uiso 1 1 calc GR . . . .
Au2 Au 0.44221(2) 0.37654(3) 0.39042(2) 0.04605(12) Uani 1 1 d . . . . .
Cl2 Cl 0.50957(12) 0.20410(19) 0.39845(10) 0.0604(6) Uani 1 1 d . . . . .
P2 P 0.37402(11) 0.53786(19) 0.39002(9) 0.0456(5) Uani 1 1 d . . . . .
F5 F 0.2716(3) 0.3488(5) 0.3941(3) 0.0811(16) Uani 1 1 d . . . . .
F6 F 0.2857(3) 0.4130(6) 0.5902(3) 0.100(2) Uani 1 1 d . . . . .
F7 F 0.1591(4) 0.1380(6) 0.5642(3) 0.122(3) Uani 1 1 d . . . . .
F8 F 0.1235(5) 0.1326(7) 0.3602(4) 0.132(3) Uani 1 1 d . . . . .
O2 O 0.0135(4) -0.1623(6) 0.4409(3) 0.0797(19) Uani 1 1 d . . . . .
N5 N 0.2350(8) 0.2833(13) 0.5035(6) 0.059(2) Uani 0.5 1 d D . P B 1
N6 N 0.1904(9) 0.2427(15) 0.4542(7) 0.059(2) Uani 0.5 1 d D . P B 1
N7 N 0.2205(10) 0.2736(15) 0.4630(7) 0.059(2) Uani 0.5 1 d D . P B 2
N8 N 0.1965(8) 0.2379(12) 0.4985(6) 0.059(2) Uani 0.5 1 d D . P B 2
C26 C 0.4247(2) 0.6798(4) 0.4108(2) 0.0442(18) Uani 1 1 d . . . . .
C31 C 0.4994(3) 0.6735(4) 0.4427(2) 0.052(2) Uani 1 1 d G . . . .
H31 H 0.5224 0.5981 0.4515 0.063 Uiso 1 1 calc R . . . .
C30 C 0.5397(2) 0.7799(5) 0.4613(2) 0.060(2) Uani 1 1 d G . . . .
H30 H 0.5897 0.7756 0.4825 0.072 Uiso 1 1 calc R . . . .
C29 C 0.5054(3) 0.8926(4) 0.4481(3) 0.058(2) Uani 1 1 d G . . . .
H29 H 0.5324 0.9638 0.4605 0.069 Uiso 1 1 calc R . . . .
C28 C 0.4306(3) 0.8989(3) 0.4163(3) 0.068(3) Uani 1 1 d G . . . .
H28 H 0.4076 0.9743 0.4075 0.082 Uiso 1 1 calc R . . . .
C27 C 0.3903(2) 0.7925(5) 0.3977(3) 0.059(2) Uani 1 1 d G . . . .
H27 H 0.3403 0.7968 0.3764 0.070 Uiso 1 1 calc R . . . .
C32 C 0.2985(3) 0.5684(5) 0.3200(2) 0.052(2) Uani 1 1 d . . . . .
C33 C 0.2351(3) 0.6240(6) 0.3184(2) 0.066(3) Uani 1 1 d G . . . .
H33 H 0.2288 0.6393 0.3540 0.079 Uiso 1 1 calc R . . . .
C34 C 0.1812(3) 0.6566(6) 0.2637(3) 0.084(3) Uani 1 1 d G . . . .
H34 H 0.1388 0.6938 0.2626 0.101 Uiso 1 1 calc R . . . .
C35 C 0.1907(3) 0.6338(7) 0.2105(2) 0.096(4) Uani 1 1 d G . . . .
H35 H 0.1546 0.6556 0.1739 0.115 Uiso 1 1 calc R . . . .
C36 C 0.2540(4) 0.5782(7) 0.2121(2) 0.094(4) Uani 1 1 d G . . . .
H36 H 0.2604 0.5629 0.1765 0.113 Uiso 1 1 calc R . . . .
C37 C 0.3079(3) 0.5456(6) 0.2668(3) 0.070(3) Uani 1 1 d G . . . .
H37 H 0.3503 0.5084 0.2678 0.084 Uiso 1 1 calc R . . . .
C38 C 0.3386(4) 0.5138(7) 0.4496(4) 0.0472(19) Uani 1 1 d . . . . .
C39 C 0.3629(4) 0.5788(8) 0.5018(4) 0.051(2) Uani 1 1 d . . . . .
H39 H 0.3918 0.6472 0.5052 0.062 Uiso 1 1 calc R . . . .
C40 C 0.3455(5) 0.5448(8) 0.5496(4) 0.059(2) Uani 1 1 d . . . . .
H40 H 0.3635 0.5882 0.5854 0.071 Uiso 1 1 calc R . . . .
C41 C 0.3023(5) 0.4481(9) 0.5433(4) 0.064(3) Uani 1 1 d . . . . .
C42 C 0.2721(5) 0.3791(8) 0.4912(5) 0.066(3) Uani 1 1 d D . . . .
C43 C 0.2932(5) 0.4160(8) 0.4455(4) 0.057(2) Uani 1 1 d . . . . .
C44 C 0.1471(6) 0.1433(10) 0.4643(7) 0.097(4) Uani 1 1 d D . . . .
C45 C 0.1297(6) 0.0859(11) 0.5093(6) 0.084(3) Uani 1 1 d . . . . .
C46 C 0.0877(6) -0.0129(11) 0.5021(5) 0.079(3) Uani 1 1 d . . . . .
H46 H 0.0799 -0.0461 0.5346 0.095 Uiso 1 1 calc R . . . .
C47 C 0.0565(5) -0.0641(9) 0.4464(5) 0.071(3) Uani 1 1 d . . . . .
C48 C 0.0687(6) -0.0125(9) 0.3977(5) 0.080(3) Uani 1 1 d . . . . .
H48 H 0.0472 -0.0452 0.3593 0.096 Uiso 1 1 calc R . . . .
C49 C 0.1134(6) 0.0878(10) 0.4087(7) 0.090(4) Uani 1 1 d . . . . .
C50 C -0.0207(7) -0.2157(10) 0.3834(6) 0.101(4) Uani 1 1 d . . . . .
H50A H -0.0560 -0.1599 0.3573 0.152 Uiso 1 1 calc GR . . . .
H50B H -0.0446 -0.2897 0.3868 0.152 Uiso 1 1 calc GR . . . .
H50C H 0.0151 -0.2335 0.3671 0.152 Uiso 1 1 calc GR . . . .


_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 Cl1 2.280(3) . ?
Au1 P1 2.227(2) . ?
P1 C1 1.788(5) . ?
P1 C7 1.818(5) . ?
P1 C13 1.829(9) . ?
F1 C14 1.360(11) . ?
F2 C16 1.374(12) . ?
F3 C24 1.339(14) . ?
F4 C20 1.361(12) . ?
O1 C22 1.379(13) . ?
O1 C25 1.447(16) . ?
N1 N2 1.23(3) . ?
N1 C15 1.365(14) . ?
N2 C19 1.509(14) . ?
N3 N4 1.27(3) . ?
N3 C15 1.505(15) . ?
N4 C19 1.348(14) . ?
C1 C6 1.3900 . ?
C1 C2 1.3900 . ?
C6 H6 0.9300 . ?
C6 C5 1.3900 . ?
C5 H5 0.9300 . ?
C5 C4 1.3900 . ?
C4 H4 0.9300 . ?
C4 C3 1.3900 . ?
C3 H3 0.9300 . ?
C3 C2 1.3900 . ?
C2 H2 0.9300 . ?
C7 C8 1.3900 . ?
C7 C12 1.3900 . ?
C8 H8 0.9300 . ?
C8 C9 1.3900 . ?
C9 H9 0.9300 . ?
C9 C10 1.3900 . ?
C10 H10 0.9300 . ?
C10 C11 1.3900 . ?
C11 H11 0.9300 . ?
C11 C12 1.3900 . ?
C12 H12 0.9300 . ?
C13 C14 1.376(13) . ?
C13 C18 1.392(12) . ?
C14 C15 1.381(14) . ?
C15 C16 1.402(18) . ?
C16 C17 1.408(18) . ?
C17 H17 0.9300 . ?
C17 C18 1.378(13) . ?
C18 H18 0.9300 . ?
C19 C20 1.362(15) . ?
C19 C24 1.42(2) . ?
C20 C21 1.330(14) . ?
C21 H21 0.9300 . ?
C21 C22 1.383(15) . ?
C22 C23 1.372(15) . ?
C23 H23 0.9300 . ?
C23 C24 1.363(19) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
Au2 Cl2 2.285(2) . ?
Au2 P2 2.230(2) . ?
P2 C26 1.818(4) . ?
P2 C32 1.810(5) . ?
P2 C38 1.850(8) . ?
F5 C43 1.362(10) . ?
F6 C41 1.352(9) . ?
F7 C45 1.351(12) . ?
F8 C49 1.354(14) . ?
O2 C47 1.351(11) . ?
O2 C50 1.415(13) . ?
N5 N6 1.260(16) . ?
N5 C42 1.382(13) . ?
N6 C44 1.468(15) . ?
N7 N8 1.198(15) . ?
N7 C42 1.523(14) . ?
N8 C44 1.450(14) . ?
C26 C31 1.3900 . ?
C26 C27 1.3900 . ?
C31 H31 0.9300 . ?
C31 C30 1.3900 . ?
C30 H30 0.9300 . ?
C30 C29 1.3900 . ?
C29 H29 0.9300 . ?
C29 C28 1.3900 . ?
C28 H28 0.9300 . ?
C28 C27 1.3900 . ?
C27 H27 0.9300 . ?
C32 C33 1.3900 . ?
C32 C37 1.3900 . ?
C33 H33 0.9300 . ?
C33 C34 1.3900 . ?
C34 H34 0.9300 . ?
C34 C35 1.3900 . ?
C35 H35 0.9300 . ?
C35 C36 1.3900 . ?
C36 H36 0.9300 . ?
C36 C37 1.3900 . ?
C37 H37 0.9300 . ?
C38 C39 1.364(11) . ?
C38 C43 1.382(12) . ?
C39 H39 0.9300 . ?
C39 C40 1.377(11) . ?
C40 H40 0.9300 . ?
C40 C41 1.339(13) . ?
C41 C42 1.391(13) . ?
C42 C43 1.384(13) . ?
C44 C45 1.410(17) . ?
C44 C49 1.388(17) . ?
C45 C46 1.340(16) . ?
C46 H46 0.9300 . ?
C46 C47 1.366(14) . ?
C47 C48 1.408(14) . ?
C48 H48 0.9300 . ?
C48 C49 1.377(14) . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Au1 Cl1 178.15(9) . . ?
C1 P1 Au1 115.1(2) . . ?
C1 P1 C7 105.5(3) . . ?
C1 P1 C13 107.4(4) . . ?
C7 P1 Au1 112.3(2) . . ?
C7 P1 C13 105.8(4) . . ?
C13 P1 Au1 110.2(3) . . ?
C22 O1 C25 118.0(11) . . ?
N2 N1 C15 104.3(15) . . ?
N1 N2 C19 109.5(18) . . ?
N4 N3 C15 109.5(17) . . ?
N3 N4 C19 103.7(15) . . ?
C6 C1 P1 117.1(4) . . ?
C6 C1 C2 120.0 . . ?
C2 C1 P1 122.8(4) . . ?
C1 C6 H6 120.0 . . ?
C1 C6 C5 120.0 . . ?
C5 C6 H6 120.0 . . ?
C6 C5 H5 120.0 . . ?
C6 C5 C4 120.0 . . ?
C4 C5 H5 120.0 . . ?
C5 C4 H4 120.0 . . ?
C3 C4 C5 120.0 . . ?
C3 C4 H4 120.0 . . ?
C4 C3 H3 120.0 . . ?
C4 C3 C2 120.0 . . ?
C2 C3 H3 120.0 . . ?
C1 C2 H2 120.0 . . ?
C3 C2 C1 120.0 . . ?
C3 C2 H2 120.0 . . ?
C8 C7 P1 118.6(3) . . ?
C8 C7 C12 120.0 . . ?
C12 C7 P1 121.4(3) . . ?
C7 C8 H8 120.0 . . ?
C9 C8 C7 120.0 . . ?
C9 C8 H8 120.0 . . ?
C8 C9 H9 120.0 . . ?
C8 C9 C10 120.0 . . ?
C10 C9 H9 120.0 . . ?
C9 C10 H10 120.0 . . ?
C11 C10 C9 120.0 . . ?
C11 C10 H10 120.0 . . ?
C10 C11 H11 120.0 . . ?
C12 C11 C10 120.0 . . ?
C12 C11 H11 120.0 . . ?
C7 C12 H12 120.0 . . ?
C11 C12 C7 120.0 . . ?
C11 C12 H12 120.0 . . ?
C14 C13 P1 120.1(7) . . ?
C14 C13 C18 116.3(9) . . ?
C18 C13 P1 122.8(7) . . ?
F1 C14 C13 116.9(9) . . ?
F1 C14 C15 115.2(10) . . ?
C13 C14 C15 127.8(10) . . ?
N1 C15 C14 148.2(14) . . ?
N1 C15 C16 99.9(13) . . ?
C14 C15 N3 108.3(13) . . ?
C14 C15 C16 111.7(10) . . ?
C16 C15 N3 139.9(14) . . ?
F2 C16 C15 120.9(14) . . ?
F2 C16 C17 113.7(15) . . ?
C15 C16 C17 125.4(10) . . ?
C16 C17 H17 121.6 . . ?
C18 C17 C16 116.8(11) . . ?
C18 C17 H17 121.6 . . ?
C13 C18 H18 119.0 . . ?
C17 C18 C13 121.9(10) . . ?
C17 C18 H18 119.0 . . ?
N4 C19 C20 151.9(14) . . ?
N4 C19 C24 98.9(13) . . ?
C20 C19 N2 110.7(14) . . ?
C20 C19 C24 109.2(10) . . ?
C24 C19 N2 140.2(15) . . ?
F4 C20 C19 113.7(11) . . ?
C21 C20 F4 116.0(11) . . ?
C21 C20 C19 130.3(11) . . ?
C20 C21 H21 121.8 . . ?
C20 C21 C22 116.4(10) . . ?
C22 C21 H21 121.8 . . ?
O1 C22 C21 112.9(10) . . ?
C23 C22 O1 126.6(12) . . ?
C23 C22 C21 120.5(12) . . ?
C22 C23 H23 121.1 . . ?
C24 C23 C22 117.7(13) . . ?
C24 C23 H23 121.1 . . ?
F3 C24 C19 119.4(15) . . ?
F3 C24 C23 114.8(17) . . ?
C23 C24 C19 125.8(11) . . ?
O1 C25 H25A 109.5 . . ?
O1 C25 H25B 109.5 . . ?
O1 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
P2 Au2 Cl2 174.41(8) . . ?
C26 P2 Au2 113.94(19) . . ?
C26 P2 C38 104.2(3) . . ?
C32 P2 Au2 115.9(2) . . ?
C32 P2 C26 105.8(3) . . ?
C32 P2 C38 108.8(3) . . ?
C38 P2 Au2 107.4(2) . . ?
C47 O2 C50 118.3(8) . . ?
N6 N5 C42 107.9(13) . . ?
N5 N6 C44 110.6(13) . . ?
N8 N7 C42 108.4(13) . . ?
N7 N8 C44 101.4(13) . . ?
C31 C26 P2 118.2(3) . . ?
C31 C26 C27 120.0 . . ?
C27 C26 P2 121.7(3) . . ?
C26 C31 H31 120.0 . . ?
C30 C31 C26 120.0 . . ?
C30 C31 H31 120.0 . . ?
C31 C30 H30 120.0 . . ?
C31 C30 C29 120.0 . . ?
C29 C30 H30 120.0 . . ?
C30 C29 H29 120.0 . . ?
C28 C29 C30 120.0 . . ?
C28 C29 H29 120.0 . . ?
C29 C28 H28 120.0 . . ?
C29 C28 C27 120.0 . . ?
C27 C28 H28 120.0 . . ?
C26 C27 H27 120.0 . . ?
C28 C27 C26 120.0 . . ?
C28 C27 H27 120.0 . . ?
C33 C32 P2 121.8(3) . . ?
C33 C32 C37 120.0 . . ?
C37 C32 P2 117.9(3) . . ?
C32 C33 H33 120.0 . . ?
C32 C33 C34 120.0 . . ?
C34 C33 H33 120.0 . . ?
C33 C34 H34 120.0 . . ?
C35 C34 C33 120.0 . . ?
C35 C34 H34 120.0 . . ?
C34 C35 H35 120.0 . . ?
C34 C35 C36 120.0 . . ?
C36 C35 H35 120.0 . . ?
C35 C36 H36 120.0 . . ?
C35 C36 C37 120.0 . . ?
C37 C36 H36 120.0 . . ?
C32 C37 H37 120.0 . . ?
C36 C37 C32 120.0 . . ?
C36 C37 H37 120.0 . . ?
C39 C38 P2 122.5(6) . . ?
C39 C38 C43 117.5(8) . . ?
C43 C38 P2 119.4(6) . . ?
C38 C39 H39 119.4 . . ?
C38 C39 C40 121.1(8) . . ?
C40 C39 H39 119.4 . . ?
C39 C40 H40 120.7 . . ?
C41 C40 C39 118.7(9) . . ?
C41 C40 H40 120.7 . . ?
F6 C41 C42 116.3(9) . . ?
C40 C41 F6 119.1(10) . . ?
C40 C41 C42 124.6(8) . . ?
N5 C42 C41 107.4(10) . . ?
N5 C42 C43 138.3(11) . . ?
C41 C42 N7 143.1(10) . . ?
C43 C42 N7 103.1(10) . . ?
C43 C42 C41 113.8(8) . . ?
F5 C43 C38 117.0(8) . . ?
F5 C43 C42 118.7(8) . . ?
C38 C43 C42 124.2(8) . . ?
C45 C44 N6 142.6(12) . . ?
C45 C44 N8 101.3(12) . . ?
C49 C44 N6 105.2(13) . . ?
C49 C44 N8 146.5(14) . . ?
C49 C44 C45 112.2(10) . . ?
F7 C45 C44 115.1(12) . . ?
C46 C45 F7 118.7(13) . . ?
C46 C45 C44 126.2(11) . . ?
C45 C46 H46 120.5 . . ?
C45 C46 C47 118.9(11) . . ?
C47 C46 H46 120.5 . . ?
O2 C47 C46 117.1(10) . . ?
O2 C47 C48 123.1(10) . . ?
C46 C47 C48 119.8(10) . . ?
C47 C48 H48 121.0 . . ?
C49 C48 C47 117.9(11) . . ?
C49 C48 H48 121.0 . . ?
F8 C49 C44 119.9(11) . . ?
F8 C49 C48 115.1(12) . . ?
C48 C49 C44 124.9(12) . . ?
O2 C50 H50A 109.5 . . ?
O2 C50 H50B 109.5 . . ?
O2 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 P1 C1 C6 26.2(5) . . . . ?
Au1 P1 C1 C2 -158.1(5) . . . . ?
Au1 P1 C7 C8 4.0(4) . . . . ?
Au1 P1 C7 C12 -174.4(3) . . . . ?
Au1 P1 C13 C14 59.3(8) . . . . ?
Au1 P1 C13 C18 -110.6(7) . . . . ?
P1 C1 C6 C5 175.8(5) . . . . ?
P1 C1 C2 C3 -175.6(5) . . . . ?
P1 C7 C8 C9 -178.4(4) . . . . ?
P1 C7 C12 C11 178.4(4) . . . . ?
P1 C13 C14 F1 7.9(11) . . . . ?
P1 C13 C14 C15 -168.6(8) . . . . ?
P1 C13 C18 C17 168.4(7) . . . . ?
F1 C14 C15 N1 -3(3) . . . . ?
F1 C14 C15 N3 5.9(14) . . . . ?
F1 C14 C15 C16 -177.5(9) . . . . ?
F2 C16 C17 C18 -179.8(8) . . . . ?
F4 C20 C21 C22 179.1(9) . . . . ?
O1 C22 C23 C24 179.4(11) . . . . ?
N1 N2 C19 C20 -177.7(16) . . . . ?
N1 N2 C19 C24 1(3) . . . . ?
N1 C15 C16 F2 2.9(14) . . . . ?
N1 C15 C16 C17 -177.1(11) . . . . ?
N2 N1 C15 C14 6(3) . . . . ?
N2 N1 C15 C16 -179.2(15) . . . . ?
N2 C19 C20 F4 -3.0(15) . . . . ?
N2 C19 C20 C21 177.3(13) . . . . ?
N2 C19 C24 F3 3(3) . . . . ?
N2 C19 C24 C23 -175.8(17) . . . . ?
N3 N4 C19 C20 -9(3) . . . . ?
N3 N4 C19 C24 171.3(15) . . . . ?
N3 C15 C16 F2 -5(2) . . . . ?
N3 C15 C16 C17 174.7(16) . . . . ?
N4 N3 C15 C14 -168.6(15) . . . . ?
N4 N3 C15 C16 16(3) . . . . ?
N4 C19 C20 F4 -1(3) . . . . ?
N4 C19 C20 C21 179(2) . . . . ?
N4 C19 C24 F3 1.0(16) . . . . ?
N4 C19 C24 C23 -177.6(13) . . . . ?
C1 P1 C7 C8 130.1(4) . . . . ?
C1 P1 C7 C12 -48.3(4) . . . . ?
C1 P1 C13 C14 -66.7(8) . . . . ?
C1 P1 C13 C18 123.4(7) . . . . ?
C1 C6 C5 C4 0.0 . . . . ?
C6 C1 C2 C3 0.0 . . . . ?
C6 C5 C4 C3 0.0 . . . . ?
C5 C4 C3 C2 0.0 . . . . ?
C4 C3 C2 C1 0.0 . . . . ?
C2 C1 C6 C5 0.0 . . . . ?
C7 P1 C1 C6 -98.2(5) . . . . ?
C7 P1 C1 C2 77.5(6) . . . . ?
C7 P1 C13 C14 -179.1(7) . . . . ?
C7 P1 C13 C18 11.0(8) . . . . ?
C7 C8 C9 C10 0.0 . . . . ?
C8 C7 C12 C11 0.0 . . . . ?
C8 C9 C10 C11 0.0 . . . . ?
C9 C10 C11 C12 0.0 . . . . ?
C10 C11 C12 C7 0.0 . . . . ?
C12 C7 C8 C9 0.0 . . . . ?
C13 P1 C1 C6 149.3(5) . . . . ?
C13 P1 C1 C2 -35.0(6) . . . . ?
C13 P1 C7 C8 -116.3(4) . . . . ?
C13 P1 C7 C12 65.3(4) . . . . ?
C13 C14 C15 N1 173.2(19) . . . . ?
C13 C14 C15 N3 -177.5(12) . . . . ?
C13 C14 C15 C16 -1.0(15) . . . . ?
C14 C13 C18 C17 -1.8(13) . . . . ?
C14 C15 C16 F2 179.8(8) . . . . ?
C14 C15 C16 C17 -0.2(16) . . . . ?
C15 N1 N2 C19 178.5(13) . . . . ?
C15 N3 N4 C19 177.3(13) . . . . ?
C15 C16 C17 C18 0.2(16) . . . . ?
C16 C17 C18 C13 0.8(14) . . . . ?
C18 C13 C14 F1 178.5(8) . . . . ?
C18 C13 C14 C15 2.0(14) . . . . ?
C19 C20 C21 C22 -1.3(18) . . . . ?
C20 C19 C24 F3 -178.5(10) . . . . ?
C20 C19 C24 C23 2.8(18) . . . . ?
C20 C21 C22 O1 -178.2(9) . . . . ?
C20 C21 C22 C23 3.5(16) . . . . ?
C21 C22 C23 C24 -2.5(17) . . . . ?
C22 C23 C24 F3 -179.6(10) . . . . ?
C22 C23 C24 C19 -1(2) . . . . ?
C24 C19 C20 F4 178.0(9) . . . . ?
C24 C19 C20 C21 -1.7(18) . . . . ?
C25 O1 C22 C21 171.7(12) . . . . ?
C25 O1 C22 C23 -10.1(18) . . . . ?
Au2 P2 C26 C31 -20.2(4) . . . . ?
Au2 P2 C26 C27 162.1(3) . . . . ?
Au2 P2 C32 C33 150.3(3) . . . . ?
Au2 P2 C32 C37 -35.8(4) . . . . ?
Au2 P2 C38 C39 108.2(6) . . . . ?
Au2 P2 C38 C43 -62.7(7) . . . . ?
P2 C26 C31 C30 -177.7(4) . . . . ?
P2 C26 C27 C28 177.7(4) . . . . ?
P2 C32 C33 C34 173.7(5) . . . . ?
P2 C32 C37 C36 -174.0(5) . . . . ?
P2 C38 C39 C40 -168.2(6) . . . . ?
P2 C38 C43 F5 -6.0(10) . . . . ?
P2 C38 C43 C42 170.3(7) . . . . ?
F6 C41 C42 N5 -4.0(13) . . . . ?
F6 C41 C42 N7 4(2) . . . . ?
F6 C41 C42 C43 -177.5(7) . . . . ?
F7 C45 C46 C47 178.5(9) . . . . ?
O2 C47 C48 C49 179.8(10) . . . . ?
N5 N6 C44 C45 13(3) . . . . ?
N5 N6 C44 C49 -166.2(16) . . . . ?
N5 C42 C43 F5 4.0(19) . . . . ?
N5 C42 C43 C38 -172.2(14) . . . . ?
N6 N5 C42 C41 160.5(15) . . . . ?
N6 N5 C42 C43 -28(2) . . . . ?
N6 C44 C45 F7 3(2) . . . . ?
N6 C44 C45 C46 -176.6(17) . . . . ?
N6 C44 C49 F8 -1.8(16) . . . . ?
N6 C44 C49 C48 178.3(12) . . . . ?
N7 N8 C44 C45 169.2(15) . . . . ?
N7 N8 C44 C49 -9(3) . . . . ?
N7 C42 C43 F5 -6.3(13) . . . . ?
N7 C42 C43 C38 177.5(11) . . . . ?
N8 N7 C42 C41 1(3) . . . . ?
N8 N7 C42 C43 -177.1(16) . . . . ?
N8 C44 C45 F7 3.2(14) . . . . ?
N8 C44 C45 C46 -176.7(12) . . . . ?
N8 C44 C49 F8 -3(3) . . . . ?
N8 C44 C49 C48 176.9(17) . . . . ?
C26 P2 C32 C33 -82.3(4) . . . . ?
C26 P2 C32 C37 91.6(4) . . . . ?
C26 P2 C38 C39 -13.0(7) . . . . ?
C26 P2 C38 C43 176.1(6) . . . . ?
C26 C31 C30 C29 0.0 . . . . ?
C31 C26 C27 C28 0.0 . . . . ?
C31 C30 C29 C28 0.0 . . . . ?
C30 C29 C28 C27 0.0 . . . . ?
C29 C28 C27 C26 0.0 . . . . ?
C27 C26 C31 C30 0.0 . . . . ?
C32 P2 C26 C31 -148.7(3) . . . . ?
C32 P2 C26 C27 33.6(4) . . . . ?
C32 P2 C38 C39 -125.6(7) . . . . ?
C32 P2 C38 C43 63.5(7) . . . . ?
C32 C33 C34 C35 0.0 . . . . ?
C33 C32 C37 C36 0.0 . . . . ?
C33 C34 C35 C36 0.0 . . . . ?
C34 C35 C36 C37 0.0 . . . . ?
C35 C36 C37 C32 0.0 . . . . ?
C37 C32 C33 C34 0.0 . . . . ?
C38 P2 C26 C31 96.6(4) . . . . ?
C38 P2 C26 C27 -81.1(4) . . . . ?
C38 P2 C32 C33 29.2(5) . . . . ?
C38 P2 C32 C37 -157.0(4) . . . . ?
C38 C39 C40 C41 -1.9(13) . . . . ?
C39 C38 C43 F5 -177.4(7) . . . . ?
C39 C38 C43 C42 -1.1(13) . . . . ?
C39 C40 C41 F6 179.1(7) . . . . ?
C39 C40 C41 C42 -1.1(14) . . . . ?
C40 C41 C42 N5 176.1(11) . . . . ?
C40 C41 C42 N7 -175.8(16) . . . . ?
C40 C41 C42 C43 2.6(13) . . . . ?
C41 C42 C43 F5 174.7(7) . . . . ?
C41 C42 C43 C38 -1.5(13) . . . . ?
C42 N5 N6 C44 -177.9(12) . . . . ?
C42 N7 N8 C44 177.6(12) . . . . ?
C43 C38 C39 C40 2.9(12) . . . . ?
C44 C45 C46 C47 -1.6(18) . . . . ?
C45 C44 C49 F8 179.0(10) . . . . ?
C45 C44 C49 C48 -0.8(17) . . . . ?
C45 C46 C47 O2 -178.8(9) . . . . ?
C45 C46 C47 C48 -0.2(16) . . . . ?
C46 C47 C48 C49 1.2(15) . . . . ?
C47 C48 C49 F8 179.4(9) . . . . ?
C47 C48 C49 C44 -0.7(17) . . . . ?
C49 C44 C45 F7 -178.1(9) . . . . ?
C49 C44 C45 C46 2.0(17) . . . . ?
C50 O2 C47 C46 178.7(10) . . . . ?
C50 O2 C47 C48 0.1(15) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.037
_oxdiff_exptl_absorpt_empirical_full_min 0.668
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_291015_ta_singleau_z_mo
_database_code_depnum_ccdc_archive 'CCDC 1484588'
_audit_update_record             
;
2016-06-10 deposited with the CCDC.
2017-12-12 downloaded from the CCDC.
;
_audit_creation_date             2015-10-29
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H17 Au Cl F4 N2 O P'
_chemical_formula_sum            'C25 H17 Au Cl F4 N2 O P'
_chemical_formula_weight         700.79
_chemical_melting_point          ?
_chemical_oxdiff_formula         C24H20N2F4O1PAuCl
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   16.0034(5)
_cell_length_b                   8.3754(2)
_cell_length_c                   19.2521(5)
_cell_angle_alpha                90
_cell_angle_beta                 111.188(3)
_cell_angle_gamma                90
_cell_volume                     2406.02(13)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    11513
_cell_measurement_temperature    200
_cell_measurement_theta_max      30.2320
_cell_measurement_theta_min      3.8470
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.345
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.42338
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.935
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1344
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0393
_diffrn_reflns_av_unetI/netI     0.0405
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.887
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            25630
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.887
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.059
_diffrn_reflns_theta_min         3.748
_diffrn_ambient_temperature      200
_diffrn_detector                 PILT
_diffrn_detector_area_resol_mean 5.8140
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.887
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -95.00  85.00   0.50   15.00    --   -5.00   8.00 -36.00  360
  2  ω    -83.50  43.00   0.50   15.00    --   -5.00 -24.00 -36.00  253
;
_diffrn_measurement_device       'AFC12 (Right): Kappa 3 circle'
_diffrn_measurement_device_type  'Rigaku Pilatus 200K'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support Fiber
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0270711000
_diffrn_orient_matrix_UB_12      -0.0104085000
_diffrn_orient_matrix_UB_13      0.0218100000
_diffrn_orient_matrix_UB_21      0.0292477000
_diffrn_orient_matrix_UB_22      -0.0609138000
_diffrn_orient_matrix_UB_23      0.0206835000
_diffrn_orient_matrix_UB_31      0.0258533000
_diffrn_orient_matrix_UB_32      0.0579516000
_diffrn_orient_matrix_UB_33      0.0256575000
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   MicroMax003_Mo
_diffrn_source_current           0.6
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_source_voltage           50.0
_diffrn_special_details          
;
 ?
;
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5080
_reflns_number_total             6263
_reflns_odcompleteness_completeness 88.82
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     29.99
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.406
_refine_diff_density_min         -0.845
_refine_diff_density_rms         0.110
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     317
_refine_ls_number_reflns         6263
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0389
_refine_ls_R_factor_gt           0.0258
_refine_ls_restrained_S_all      1.058
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0268P)²+0.0541P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0566
_refine_ls_wR_factor_ref         0.0598
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C14(H14), C15(H15), C21(H21), C23(H23)
2.b Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.14051(2) 0.42917(2) 0.53278(2) 0.02940(5) Uani 1 1 d . . . . .
C1 C 0.1642(2) 0.0942(3) 0.44570(15) 0.0295(6) Uani 1 1 d . . . . .
C2 C 0.1205(3) 0.0246(4) 0.48879(19) 0.0431(8) Uani 1 1 d . . . . .
H2 H 0.1113 0.0846 0.5273 0.052 Uiso 1 1 calc R . . . .
C3 C 0.0904(3) -0.1313(5) 0.4760(2) 0.0571(10) Uani 1 1 d . . . . .
H3 H 0.0614 -0.1785 0.5061 0.069 Uiso 1 1 calc R . . . .
C4 C 0.1025(3) -0.2179(4) 0.4198(2) 0.0547(9) Uani 1 1 d . . . . .
H4 H 0.0802 -0.3239 0.4103 0.066 Uiso 1 1 calc R . . . .
C5 C 0.1468(3) -0.1519(4) 0.3773(2) 0.0506(9) Uani 1 1 d . . . . .
H5 H 0.1561 -0.2134 0.3392 0.061 Uiso 1 1 calc R . . . .
C6 C 0.1777(2) 0.0030(4) 0.38979(17) 0.0394(7) Uani 1 1 d . . . . .
H6 H 0.2083 0.0480 0.3604 0.047 Uiso 1 1 calc R . . . .
C7 C 0.18573(18) 0.3828(3) 0.37181(14) 0.0255(5) Uani 1 1 d . . . . .
C8 C 0.0985(2) 0.4145(3) 0.32438(17) 0.0335(6) Uani 1 1 d . . . . .
H8 H 0.0496 0.3896 0.3394 0.040 Uiso 1 1 calc R . . . .
C9 C 0.0830(2) 0.4822(4) 0.25529(17) 0.0416(7) Uani 1 1 d . . . . .
H9 H 0.0233 0.5034 0.2228 0.050 Uiso 1 1 calc R . . . .
C10 C 0.1535(2) 0.5189(4) 0.23358(17) 0.0434(8) Uani 1 1 d . . . . .
H10 H 0.1424 0.5662 0.1862 0.052 Uiso 1 1 calc R . . . .
C11 C 0.2397(2) 0.4880(5) 0.27956(17) 0.0492(9) Uani 1 1 d . . . . .
H11 H 0.2881 0.5147 0.2643 0.059 Uiso 1 1 calc R . . . .
C12 C 0.2565(2) 0.4169(4) 0.34913(17) 0.0380(7) Uani 1 1 d . . . . .
H12 H 0.3161 0.3923 0.3806 0.046 Uiso 1 1 calc R . . . .
C13 C 0.32360(18) 0.2845(3) 0.50970(13) 0.0269(6) Uani 1 1 d . . . . .
C14 C 0.3709(2) 0.1412(4) 0.52255(15) 0.0321(6) Uani 1 1 d . . . . .
H14 H 0.3394 0.0440 0.5060 0.039 Uiso 1 1 calc R . . . .
C15 C 0.4633(2) 0.1375(4) 0.55902(16) 0.0370(7) Uani 1 1 d . . . . .
H15 H 0.4948 0.0390 0.5683 0.044 Uiso 1 1 calc R . . . .
C16 C 0.5075(2) 0.2780(4) 0.58126(15) 0.0372(7) Uani 1 1 d . . . . .
C17 C 0.4641(2) 0.4246(3) 0.57288(16) 0.0315(6) Uani 1 1 d . . . . .
C18 C 0.3723(2) 0.4236(3) 0.53534(15) 0.0283(6) Uani 1 1 d . . . . .
C19 C 0.4448(2) 0.6366(4) 0.67290(16) 0.0356(7) Uani 1 1 d . . . . .
C20 C 0.4632(2) 0.5138(4) 0.72552(16) 0.0397(7) Uani 1 1 d . . . . .
C21 C 0.4172(3) 0.4937(4) 0.77219(17) 0.0449(8) Uani 1 1 d . . . . .
H21 H 0.4324 0.4098 0.8078 0.054 Uiso 1 1 calc R . . . .
C22 C 0.3475(2) 0.5982(4) 0.76686(17) 0.0404(8) Uani 1 1 d . . . . .
C23 C 0.3264(2) 0.7217(4) 0.71539(17) 0.0405(7) Uani 1 1 d . . . . .
H23 H 0.2783 0.7925 0.7106 0.049 Uiso 1 1 calc R . . . .
C24 C 0.3767(2) 0.7385(4) 0.67184(17) 0.0405(7) Uani 1 1 d . . . . .
C25 C 0.2298(3) 0.6686(5) 0.8091(2) 0.0514(9) Uani 1 1 d . . . . .
H25A H 0.1825 0.6573 0.7599 0.077 Uiso 1 1 calc GR . . . .
H25B H 0.2500 0.7799 0.8166 0.077 Uiso 1 1 calc GR . . . .
H25C H 0.2063 0.6379 0.8477 0.077 Uiso 1 1 calc GR . . . .
Cl1 Cl 0.08525(6) 0.55569(10) 0.61219(5) 0.0494(2) Uani 1 1 d . . . . .
F1 F 0.32914(12) 0.56428(18) 0.52115(10) 0.0358(4) Uani 1 1 d . . . . .
F2 F 0.59769(12) 0.2788(3) 0.61422(11) 0.0520(5) Uani 1 1 d . . . . .
F3 F 0.53214(15) 0.4156(2) 0.73122(11) 0.0546(6) Uani 1 1 d . . . . .
F4 F 0.35809(16) 0.8603(3) 0.62255(12) 0.0613(6) Uani 1 1 d . . . . .
N1 N 0.51491(18) 0.5723(3) 0.58927(15) 0.0397(6) Uani 1 1 d . . . . .
N2 N 0.50042(19) 0.6731(3) 0.63133(15) 0.0433(7) Uani 1 1 d . . . . .
O1 O 0.30316(19) 0.5680(3) 0.81350(14) 0.0515(6) Uani 1 1 d . . . . .
P1 P 0.20218(5) 0.29764(9) 0.46283(3) 0.02505(14) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 Cl1 2.2845(8) . ?
Au1 P1 2.2276(7) . ?
C1 C2 1.392(4) . ?
C1 C6 1.399(4) . ?
C1 P1 1.799(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.382(5) . ?
C3 H3 0.9500 . ?
C3 C4 1.371(6) . ?
C4 H4 0.9500 . ?
C4 C5 1.379(5) . ?
C5 H5 0.9500 . ?
C5 C6 1.378(5) . ?
C6 H6 0.9500 . ?
C7 C8 1.390(4) . ?
C7 C12 1.382(4) . ?
C7 P1 1.821(3) . ?
C8 H8 0.9500 . ?
C8 C9 1.383(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.373(5) . ?
C10 H10 0.9500 . ?
C10 C11 1.367(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.400(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.393(4) . ?
C13 C18 1.389(4) . ?
C13 P1 1.826(3) . ?
C14 H14 0.9500 . ?
C14 C15 1.389(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.361(5) . ?
C16 C17 1.391(4) . ?
C16 F2 1.350(3) . ?
C17 C18 1.383(4) . ?
C17 N1 1.451(4) . ?
C18 F1 1.343(3) . ?
C19 C20 1.398(5) . ?
C19 C24 1.380(5) . ?
C19 N2 1.428(4) . ?
C20 C21 1.363(5) . ?
C20 F3 1.348(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.391(5) . ?
C22 C23 1.387(4) . ?
C22 O1 1.355(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.363(5) . ?
C24 F4 1.351(4) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C25 O1 1.423(4) . ?
N1 N2 1.248(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Au1 Cl1 175.70(3) . . ?
C2 C1 C6 118.7(3) . . ?
C2 C1 P1 119.8(2) . . ?
C6 C1 P1 121.5(2) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 C1 120.4(3) . . ?
C3 C2 H2 119.8 . . ?
C2 C3 H3 120.0 . . ?
C4 C3 C2 120.1(3) . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 119.8 . . ?
C3 C4 C5 120.4(3) . . ?
C5 C4 H4 119.8 . . ?
C4 C5 H5 119.9 . . ?
C6 C5 C4 120.1(3) . . ?
C6 C5 H5 119.9 . . ?
C1 C6 H6 119.9 . . ?
C5 C6 C1 120.2(3) . . ?
C5 C6 H6 119.9 . . ?
C8 C7 P1 118.0(2) . . ?
C12 C7 C8 119.7(3) . . ?
C12 C7 P1 122.3(2) . . ?
C7 C8 H8 120.0 . . ?
C9 C8 C7 119.9(3) . . ?
C9 C8 H8 120.0 . . ?
C8 C9 H9 119.9 . . ?
C10 C9 C8 120.2(3) . . ?
C10 C9 H9 119.9 . . ?
C9 C10 H10 119.7 . . ?
C11 C10 C9 120.5(3) . . ?
C11 C10 H10 119.7 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 120.0(3) . . ?
C12 C11 H11 120.0 . . ?
C7 C12 C11 119.6(3) . . ?
C7 C12 H12 120.2 . . ?
C11 C12 H12 120.2 . . ?
C14 C13 P1 123.6(2) . . ?
C18 C13 C14 117.4(3) . . ?
C18 C13 P1 119.1(2) . . ?
C13 C14 H14 119.3 . . ?
C15 C14 C13 121.3(3) . . ?
C15 C14 H14 119.3 . . ?
C14 C15 H15 120.7 . . ?
C16 C15 C14 118.6(3) . . ?
C16 C15 H15 120.7 . . ?
C15 C16 C17 123.0(3) . . ?
F2 C16 C15 119.9(3) . . ?
F2 C16 C17 117.0(3) . . ?
C16 C17 N1 120.7(3) . . ?
C18 C17 C16 116.5(3) . . ?
C18 C17 N1 121.6(3) . . ?
C17 C18 C13 123.0(3) . . ?
F1 C18 C13 118.8(3) . . ?
F1 C18 C17 118.2(2) . . ?
C20 C19 N2 123.6(3) . . ?
C24 C19 C20 115.1(3) . . ?
C24 C19 N2 120.5(3) . . ?
C21 C20 C19 123.1(3) . . ?
F3 C20 C19 117.4(3) . . ?
F3 C20 C21 119.5(3) . . ?
C20 C21 H21 120.5 . . ?
C20 C21 C22 118.9(3) . . ?
C22 C21 H21 120.5 . . ?
C23 C22 C21 120.2(3) . . ?
O1 C22 C21 115.6(3) . . ?
O1 C22 C23 124.2(3) . . ?
C22 C23 H23 120.9 . . ?
C24 C23 C22 118.1(3) . . ?
C24 C23 H23 120.9 . . ?
C23 C24 C19 124.5(3) . . ?
F4 C24 C19 116.7(3) . . ?
F4 C24 C23 118.8(3) . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O1 C25 H25A 109.5 . . ?
O1 C25 H25B 109.5 . . ?
O1 C25 H25C 109.5 . . ?
N2 N1 C17 119.8(3) . . ?
N1 N2 C19 121.2(3) . . ?
C22 O1 C25 118.0(3) . . ?
C1 P1 Au1 112.66(10) . . ?
C1 P1 C7 105.84(13) . . ?
C1 P1 C13 105.19(13) . . ?
C7 P1 Au1 116.52(9) . . ?
C7 P1 C13 104.90(12) . . ?
C13 P1 Au1 110.84(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
C1 C2 C3 C4 -0.9(6) . . . . ?
C2 C1 C6 C5 1.0(5) . . . . ?
C2 C1 P1 Au1 -15.3(3) . . . . ?
C2 C1 P1 C7 -143.7(3) . . . . ?
C2 C1 P1 C13 105.5(3) . . . . ?
C2 C3 C4 C5 1.8(6) . . . . ?
C3 C4 C5 C6 -1.4(6) . . . . ?
C4 C5 C6 C1 -0.1(5) . . . . ?
C6 C1 C2 C3 -0.5(5) . . . . ?
C6 C1 P1 Au1 164.8(2) . . . . ?
C6 C1 P1 C7 36.4(3) . . . . ?
C6 C1 P1 C13 -74.4(3) . . . . ?
C7 C8 C9 C10 -0.3(5) . . . . ?
C8 C7 C12 C11 2.1(5) . . . . ?
C8 C7 P1 Au1 -53.9(2) . . . . ?
C8 C7 P1 C1 72.2(2) . . . . ?
C8 C7 P1 C13 -176.9(2) . . . . ?
C8 C9 C10 C11 0.5(5) . . . . ?
C9 C10 C11 C12 0.6(6) . . . . ?
C10 C11 C12 C7 -1.9(6) . . . . ?
C12 C7 C8 C9 -1.0(4) . . . . ?
C12 C7 P1 Au1 125.8(2) . . . . ?
C12 C7 P1 C1 -108.1(3) . . . . ?
C12 C7 P1 C13 2.8(3) . . . . ?
C13 C14 C15 C16 -1.0(4) . . . . ?
C14 C13 C18 C17 -0.5(4) . . . . ?
C14 C13 C18 F1 177.3(2) . . . . ?
C14 C13 P1 Au1 125.6(2) . . . . ?
C14 C13 P1 C1 3.6(3) . . . . ?
C14 C13 P1 C7 -107.8(2) . . . . ?
C14 C15 C16 C17 3.7(4) . . . . ?
C14 C15 C16 F2 -177.4(3) . . . . ?
C15 C16 C17 C18 -4.6(4) . . . . ?
C15 C16 C17 N1 -172.5(3) . . . . ?
C16 C17 C18 C13 2.9(4) . . . . ?
C16 C17 C18 F1 -174.9(2) . . . . ?
C16 C17 N1 N2 -129.1(3) . . . . ?
C17 N1 N2 C19 9.8(4) . . . . ?
C18 C13 C14 C15 -0.5(4) . . . . ?
C18 C13 P1 Au1 -53.4(2) . . . . ?
C18 C13 P1 C1 -175.4(2) . . . . ?
C18 C13 P1 C7 73.2(2) . . . . ?
C18 C17 N1 N2 63.6(4) . . . . ?
C19 C20 C21 C22 1.1(5) . . . . ?
C20 C19 C24 C23 -2.9(5) . . . . ?
C20 C19 C24 F4 178.9(3) . . . . ?
C20 C19 N2 N1 60.3(4) . . . . ?
C20 C21 C22 C23 -0.8(5) . . . . ?
C20 C21 C22 O1 178.1(3) . . . . ?
C21 C22 C23 C24 -1.2(5) . . . . ?
C21 C22 O1 C25 -178.4(3) . . . . ?
C22 C23 C24 C19 3.1(5) . . . . ?
C22 C23 C24 F4 -178.6(3) . . . . ?
C23 C22 O1 C25 0.5(5) . . . . ?
C24 C19 C20 C21 0.7(5) . . . . ?
C24 C19 C20 F3 -176.9(3) . . . . ?
C24 C19 N2 N1 -130.4(3) . . . . ?
F2 C16 C17 C18 176.5(2) . . . . ?
F2 C16 C17 N1 8.5(4) . . . . ?
F3 C20 C21 C22 178.6(3) . . . . ?
N1 C17 C18 C13 170.8(3) . . . . ?
N1 C17 C18 F1 -7.1(4) . . . . ?
N2 C19 C20 C21 170.6(3) . . . . ?
N2 C19 C20 F3 -7.0(5) . . . . ?
N2 C19 C24 C23 -173.1(3) . . . . ?
N2 C19 C24 F4 8.7(4) . . . . ?
O1 C22 C23 C24 180.0(3) . . . . ?
P1 C1 C2 C3 179.6(3) . . . . ?
P1 C1 C6 C5 -179.1(3) . . . . ?
P1 C7 C8 C9 178.7(2) . . . . ?
P1 C7 C12 C11 -177.6(3) . . . . ?
P1 C13 C14 C15 -179.5(2) . . . . ?
P1 C13 C18 C17 178.5(2) . . . . ?
P1 C13 C18 F1 -3.7(3) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.691
_oxdiff_exptl_absorpt_empirical_full_min 0.714
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelxl
_database_code_depnum_ccdc_archive 'CCDC 1484589'
_audit_update_record             
;
2016-06-10 deposited with the CCDC.
2017-12-12 downloaded from the CCDC.
;
_audit_creation_date             2015-07-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         
'2(C18 H12 Au Cl F2 N P), 1.41(C H Cl3), 0.44(C H2 Cl2)'
_chemical_formula_sum            'C37.85 H26.29 Au2 Cl7.11 F4 N2 P2'
_chemical_formula_weight         1293.03
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.051(3)
_cell_length_b                   15.816(4)
_cell_length_c                   16.857(5)
_cell_angle_alpha                109.459(3)
_cell_angle_beta                 103.933(5)
_cell_angle_gamma                104.747(5)
_cell_volume                     2509.4(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4916
_cell_measurement_temperature    130
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.6
_shelx_estimated_absorpt_T_max   0.666
_shelx_estimated_absorpt_T_min   0.364
_exptl_absorpt_coefficient_mu    6.325
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.647
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(REQAB; Rigaku, 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    ?
_exptl_crystal_density_diffrn    1.713
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1224.5
_exptl_crystal_preparation       Fiber
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.07
_exptl_special_details           
;
 ?
;
_diffrn_reflns_av_R_equivalents  0.1024
_diffrn_reflns_av_unetI/netI     0.0966
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.929
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            46126
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.929
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.351
_diffrn_reflns_theta_min         3.616
_diffrn_ambient_temperature      130.0
_diffrn_detector                 PILT
_diffrn_detector_area_resol_mean 5.8140
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.929
_diffrn_measurement_details      
;
scan:
	Number of images: 360
	           Slice: -96.0000 - 84.0000
	     Image width: 0.5000
	        Exp time: 30.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	           Kappa: 14.0000
	             Phi: -144.0000
	             XTD: 35.0879
	          2theta: -5.9060
scan:
	Number of images: 242
	           Slice: -96.0000 - 25.0000
	     Image width: 0.5000
	        Exp time: 30.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	           Kappa: -44.0000
	             Phi: -36.0000
	             XTD: 35.0879
	          2theta: -5.9060
scan:
	Number of images: 167
	           Slice: -59.5000 - 24.0000
	     Image width: 0.5000
	        Exp time: 30.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	           Kappa: -44.0000
	             Phi: -180.0000
	             XTD: 35.0879
	          2theta: -5.9060
scan:
	Number of images: 187
	           Slice: -91.5000 - 2.0000
	     Image width: 0.5000
	        Exp time: 30.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	           Kappa: -72.0000
	             Phi: 144.0000
	             XTD: 35.0879
	          2theta: -5.9060
scan:
	Number of images: 93
	           Slice: -30.0000 - 16.5000
	     Image width: 0.5000
	        Exp time: 30.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	           Kappa: -72.0000
	             Phi: -72.0000
	             XTD: 35.0879
	          2theta: -5.9060
scan:
	Number of images: 90
	           Slice: -25.0000 - 20.0000
	     Image width: 0.5000
	        Exp time: 30.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	           Kappa: 72.0000
	             Phi: -180.0000
	             XTD: 35.0879
	          2theta: -5.9060
scan:
	Number of images: 1
	           Slice: 8.0000 - 8.5000
	     Image width: 0.5000
	        Exp time: 30.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	           Kappa: 43.0000
	             Phi: 108.0000
	             XTD: 35.0879
	          2theta: -5.9060
;
_diffrn_measurement_device       
;
AFC12 (Right): Kappa 3 circle
;
_diffrn_measurement_device_type  'Rigaku Pilatus 200K'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support Fiber
_diffrn_orient_matrix_type       d*Trek
_diffrn_orient_matrix_UB_11      -0.083483
_diffrn_orient_matrix_UB_12      -0.053115
_diffrn_orient_matrix_UB_13      0.015700
_diffrn_orient_matrix_UB_21      -0.041417
_diffrn_orient_matrix_UB_22      0.030326
_diffrn_orient_matrix_UB_23      0.050559
_diffrn_orient_matrix_UB_31      -0.054040
_diffrn_orient_matrix_UB_32      0.032621
_diffrn_orient_matrix_UB_33      -0.023501
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_source                   MicroMax003_Mo
_diffrn_source_current           0.6
_diffrn_source_power             0.0
_diffrn_source_voltage           50.0
_diffrn_special_details          
;
 ?
;
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7354
_reflns_number_total             9151
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b43 (Rigaku, 2015)'
_computing_data_collection       'CrystalClear-SM Expert 2.1 b43 (Rigaku, 2015)'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b43 (Rigaku, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         5.208
_refine_diff_density_min         -2.737
_refine_diff_density_rms         0.312
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     533
_refine_ls_number_reflns         9151
_refine_ls_number_restraints     423
_refine_ls_R_factor_all          0.1239
_refine_ls_R_factor_gt           0.1038
_refine_ls_restrained_S_all      1.097
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0834P)²+150.5502P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2582
_refine_ls_wR_factor_ref         0.2689
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.9454(12) 0.0546(12)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
3. Rigid body (RIGU) restrains
 C1, C2, C3, C4, C5, C6, C7, C8, C9, C10, C11, C12, C13, C14, C15, C16, C17,
 C18, C19, C20, C21, C22, C23, C24, C25, C26, C27, C28, C29, C30, C31, C32, C33,
  C34, C35, C36, C37, C38, C39, P2, Au2, Cl2, P1, Au1, Cl1, N1, N2, Cl10, Cl9,
 Cl3, Cl5, Cl4, Cl7, Cl8, Cl6, F2, F1, F3, F4
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Others
 Sof(C37)=Sof(H37)=Sof(Cl3)=Sof(Cl4)=Sof(Cl5)=FVAR(1)
 Sof(C38)=Sof(H38)=Sof(Cl7)=Sof(Cl8)=Sof(Cl6)=FVAR(2)
 Sof(Cl9)=Sof(Cl10)=Sof(C39)=Sof(H39A)=Sof(H39B)=FVAR(3)
5.a Free rotating group:
 Cl9(Cl10,C39)
5.b Ternary CH refined with riding coordinates:
 C37(H37), C38(H38)
5.c Secondary CH2 refined with riding coordinates:
 C39(H39A,H39B)
5.d Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C9(H9), C10(H10), C11(H11),
 C12(H12), C17(H17), C18(H18), C23(H23), C24(H24), C26(H26), C27(H27), C28(H28),
  C29(H29), C30(H30), C32(H32), C33(H33), C34(H34), C35(H35), C36(H36)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.473(2) 0.2100(18) 0.7931(16) 0.038(4) Uani 1 1 d . U . . .
C2 C 0.495(3) 0.297(2) 0.860(2) 0.061(7) Uani 1 1 d . U . . .
H2 H 0.4646 0.2972 0.9077 0.073 Uiso 1 1 calc R . . . .
C3 C 0.562(3) 0.388(2) 0.860(2) 0.061(6) Uani 1 1 d . U . . .
H3 H 0.5801 0.4488 0.9070 0.074 Uiso 1 1 calc R . . . .
C4 C 0.596(2) 0.380(2) 0.7851(19) 0.050(5) Uani 1 1 d . U . . .
H4 H 0.6405 0.4369 0.7808 0.060 Uiso 1 1 calc R . . . .
C5 C 0.571(3) 0.294(2) 0.717(2) 0.059(6) Uani 1 1 d . U . . .
H5 H 0.5916 0.2937 0.6658 0.071 Uiso 1 1 calc R . . . .
C6 C 0.517(2) 0.211(2) 0.7215(17) 0.046(5) Uani 1 1 d . U . . .
H6 H 0.5080 0.1524 0.6759 0.055 Uiso 1 1 calc R . . . .
C7 C 0.655(2) 0.099(2) 0.8426(18) 0.047(6) Uani 1 1 d . U . . .
H7 H 0.6738 0.1468 0.8204 0.056 Uiso 1 1 calc R . . . .
C8 C 0.531(2) 0.0584(19) 0.8432(16) 0.039(4) Uani 1 1 d . U . . .
C9 C 0.500(3) -0.010(2) 0.8787(18) 0.049(6) Uani 1 1 d . U . . .
H9 H 0.4125 -0.0382 0.8782 0.059 Uiso 1 1 calc R . . . .
C10 C 0.611(3) -0.031(2) 0.915(2) 0.053(6) Uani 1 1 d . U . . .
H10 H 0.5955 -0.0744 0.9427 0.064 Uiso 1 1 calc R . . . .
C11 C 0.733(2) 0.0010(16) 0.9162(15) 0.036(4) Uani 1 1 d . U . . .
H11 H 0.8013 -0.0184 0.9418 0.043 Uiso 1 1 calc R . . . .
C12 C 0.755(2) 0.066(2) 0.8767(19) 0.050(6) Uani 1 1 d . U . . .
H12 H 0.8409 0.0896 0.8728 0.060 Uiso 1 1 calc R . . . .
C13 C 0.302(2) 0.0092(17) 0.6857(15) 0.035(4) Uani 1 1 d . U . . .
C14 C 0.1972(18) 0.0204(15) 0.6336(13) 0.026(3) Uani 1 1 d . U . . .
C15 C 0.114(2) -0.0462(17) 0.5487(14) 0.032(4) Uani 1 1 d . U . . .
C16 C 0.133(2) -0.1310(17) 0.5162(14) 0.033(4) Uani 1 1 d . U . . .
C17 C 0.239(2) -0.1490(19) 0.5636(16) 0.043(5) Uani 1 1 d . U . . .
H17 H 0.2524 -0.2080 0.5395 0.052 Uiso 1 1 calc R . . . .
C18 C 0.325(2) -0.0753(17) 0.6485(15) 0.037(4) Uani 1 1 d . U . . .
H18 H 0.4009 -0.0835 0.6813 0.045 Uiso 1 1 calc R . . . .
C19 C 0.748(2) -0.0912(16) 0.6345(15) 0.035(4) Uani 1 1 d . U . . .
C20 C 0.639(2) -0.0768(16) 0.5801(15) 0.033(4) Uani 1 1 d . U . . .
C21 C 0.645(2) 0.0127(17) 0.5838(16) 0.037(4) Uani 1 1 d . U . . .
C22 C 0.761(2) 0.0896(17) 0.6430(16) 0.036(4) Uani 1 1 d . U . . .
C23 C 0.873(2) 0.0826(18) 0.6970(17) 0.042(5) Uani 1 1 d . U . . .
H23 H 0.9529 0.1370 0.7336 0.051 Uiso 1 1 calc R . . . .
C24 C 0.859(3) -0.0100(19) 0.6938(19) 0.051(6) Uani 1 1 d . U . . .
H24 H 0.9295 -0.0167 0.7338 0.061 Uiso 1 1 calc R . . . .
C25 C 0.701(2) -0.2913(17) 0.5207(16) 0.037(4) Uani 1 1 d . U . . .
C26 C 0.748(2) -0.253(2) 0.4678(18) 0.046(5) Uani 1 1 d . U . . .
H26 H 0.7849 -0.1851 0.4869 0.055 Uiso 1 1 calc R . . . .
C27 C 0.738(3) -0.318(2) 0.3826(19) 0.053(5) Uani 1 1 d . U . . .
H27 H 0.7709 -0.2955 0.3434 0.063 Uiso 1 1 calc R . . . .
C28 C 0.684(3) -0.410(2) 0.360(2) 0.058(6) Uani 1 1 d . U . . .
H28 H 0.6780 -0.4540 0.3039 0.070 Uiso 1 1 calc R . . . .
C29 C 0.633(4) -0.447(2) 0.416(2) 0.070(8) Uani 1 1 d . U . . .
H29 H 0.5921 -0.5145 0.3961 0.084 Uiso 1 1 calc R . . . .
C30 C 0.643(3) -0.3866(19) 0.496(2) 0.052(5) Uani 1 1 d . U . . .
H30 H 0.6102 -0.4100 0.5343 0.062 Uiso 1 1 calc R . . . .
C31 C 0.871(2) -0.1937(17) 0.7124(16) 0.036(4) Uani 1 1 d . U . . .
C32 C 0.880(2) -0.184(2) 0.7997(18) 0.050(6) Uani 1 1 d . U . . .
H32 H 0.8035 -0.1873 0.8163 0.060 Uiso 1 1 calc R . . . .
C33 C 0.999(2) -0.171(2) 0.8618(19) 0.051(6) Uani 1 1 d . U . . .
H33 H 1.0049 -0.1657 0.9205 0.061 Uiso 1 1 calc R . . . .
C34 C 1.112(3) -0.165(2) 0.8351(19) 0.056(7) Uani 1 1 d . U . . .
H34 H 1.1960 -0.1476 0.8795 0.068 Uiso 1 1 calc R . . . .
C35 C 1.106(2) -0.1817(19) 0.7509(17) 0.042(5) Uani 1 1 d . U . . .
H35 H 1.1812 -0.1852 0.7341 0.051 Uiso 1 1 calc R . . . .
C36 C 0.983(2) -0.195(2) 0.6860(18) 0.046(6) Uani 1 1 d . U . . .
H36 H 0.9774 -0.2039 0.6264 0.055 Uiso 1 1 calc R . . . .
C37 C 0.146(6) -0.457(4) 0.437(5) 0.087(10) Uani 0.64(2) 1 d . U P . .
H37 H 0.1725 -0.4398 0.5031 0.104 Uiso 0.64(2) 1 calc R . P . .
C38 C 0.411(4) -0.340(3) 0.871(3) 0.066(7) Uani 0.77(2) 1 d . U P . .
H38 H 0.3626 -0.3530 0.8074 0.079 Uiso 0.77(2) 1 calc R . P . .
Au1 Au 0.25512(8) 0.10393(7) 0.87630(6) 0.0366(3) Uani 1 1 d . U . . .
Au2 Au 0.53296(9) -0.25386(7) 0.66724(7) 0.0428(3) Uani 1 1 d . U . . .
Cl1 Cl 0.1039(6) 0.1063(6) 0.9471(5) 0.0548(17) Uani 1 1 d . U . . .
Cl2 Cl 0.3330(7) -0.3002(6) 0.6871(6) 0.062(2) Uani 1 1 d . U . . .
Cl3 Cl 0.2851(18) -0.4199(13) 0.4250(11) 0.101(6) Uani 0.64(2) 1 d . U P . .
Cl4 Cl 0.0614(15) -0.5810(11) 0.3885(15) 0.107(7) Uani 0.64(2) 1 d . U P . .
Cl5 Cl 0.033(2) -0.4039(15) 0.4169(18) 0.145(10) Uani 0.64(2) 1 d . U P . .
Cl7 Cl 0.5784(13) -0.3214(12) 0.8871(9) 0.099(5) Uani 0.77(2) 1 d . U P . .
Cl8 Cl 0.3841(11) -0.2454(9) 0.9453(7) 0.073(4) Uani 0.77(2) 1 d . U P . .
Cl6 Cl 0.3521(16) -0.4432(9) 0.8884(9) 0.092(4) Uani 0.77(2) 1 d . U P . .
F1 F 0.1736(12) 0.1032(9) 0.6727(8) 0.036(3) Uani 1 1 d . U . . .
F2 F 0.0511(15) -0.2017(11) 0.4358(9) 0.050(3) Uani 1 1 d . U . . .
F3 F 0.7651(15) 0.1782(10) 0.6512(10) 0.051(3) Uani 1 1 d . U . . .
F4 F 0.5301(13) -0.1533(10) 0.5256(9) 0.044(3) Uani 1 1 d . U . . .
N1 N -0.0094(18) -0.0425(14) 0.4956(13) 0.036(4) Uani 1 1 d . U . . .
N2 N 0.5388(18) 0.0337(13) 0.5386(12) 0.034(4) Uani 1 1 d . U . . .
P1 P 0.3956(5) 0.0990(5) 0.8013(4) 0.0320(12) Uani 1 1 d . U . . .
P2 P 0.7154(6) -0.2086(4) 0.6338(4) 0.0337(12) Uani 1 1 d . U . . .
Cl9 Cl 0.917(3) 0.321(3) 0.879(3) 0.154(18) Uani 0.44(4) 1 d . U P . .
Cl10 Cl 1.166(3) 0.325(3) 0.846(4) 0.170(19) Uani 0.44(4) 1 d G U P . .
C39 C 1.086(4) 0.336(6) 0.925(3) 0.13(2) Uani 0.44(4) 1 d G U P . .
H39A H 1.1337 0.4008 0.9757 0.158 Uiso 0.44(4) 1 calc R . P . .
H39B H 1.0908 0.2877 0.9494 0.158 Uiso 0.44(4) 1 calc R . P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.37(4) . ?
C1 C6 1.41(3) . ?
C1 P1 1.81(2) . ?
C2 H2 0.9500 . ?
C2 C3 1.44(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.38(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.35(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.33(4) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C7 C8 1.37(3) . ?
C7 C12 1.41(3) . ?
C8 C9 1.40(3) . ?
C8 P1 1.85(2) . ?
C9 H9 0.9500 . ?
C9 C10 1.42(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.30(4) . ?
C11 H11 0.9500 . ?
C11 C12 1.41(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.37(3) . ?
C13 C18 1.39(3) . ?
C13 P1 1.82(2) . ?
C14 C15 1.37(3) . ?
C14 F1 1.38(2) . ?
C15 C16 1.36(3) . ?
C15 N1 1.47(3) . ?
C16 C17 1.40(3) . ?
C16 F2 1.34(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.41(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.44(3) . ?
C19 C24 1.38(4) . ?
C19 P2 1.79(2) . ?
C20 C21 1.38(3) . ?
C20 F4 1.32(3) . ?
C21 C22 1.38(3) . ?
C21 N2 1.42(3) . ?
C22 C23 1.40(3) . ?
C22 F3 1.35(3) . ?
C23 H23 0.9500 . ?
C23 C24 1.42(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.36(3) . ?
C25 C30 1.35(4) . ?
C25 P2 1.86(2) . ?
C26 H26 0.9500 . ?
C26 C27 1.42(4) . ?
C27 H27 0.9500 . ?
C27 C28 1.30(4) . ?
C28 H28 0.9500 . ?
C28 C29 1.41(4) . ?
C29 H29 0.9500 . ?
C29 C30 1.32(4) . ?
C30 H30 0.9500 . ?
C31 C32 1.41(3) . ?
C31 C36 1.41(3) . ?
C31 P2 1.81(2) . ?
C32 H32 0.9500 . ?
C32 C33 1.38(3) . ?
C33 H33 0.9500 . ?
C33 C34 1.41(3) . ?
C34 H34 0.9500 . ?
C34 C35 1.34(4) . ?
C35 H35 0.9500 . ?
C35 C36 1.44(3) . ?
C36 H36 0.9500 . ?
C37 H37 1.0000 . ?
C37 Cl3 1.58(7) . ?
C37 Cl4 1.73(6) . ?
C37 Cl5 1.71(6) . ?
C38 H38 1.0000 . ?
C38 Cl7 1.73(4) . ?
C38 Cl8 1.75(4) . ?
C38 Cl6 1.74(4) . ?
Au1 Cl1 2.276(6) . ?
Au1 P1 2.226(5) . ?
Au2 Cl2 2.287(6) . ?
Au2 P2 2.231(6) . ?
N1 N1 1.26(4) 2_556 ?
N2 N2 1.28(4) 2_656 ?
Cl9 C39 1.7603 . ?
Cl10 C39 1.7599 . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 C6 118(2) . . ?
C2 C1 P1 120(2) . . ?
C6 C1 P1 122.4(19) . . ?
C1 C2 H2 118.4 . . ?
C1 C2 C3 123(3) . . ?
C3 C2 H2 118.4 . . ?
C2 C3 H3 123.3 . . ?
C4 C3 C2 113(3) . . ?
C4 C3 H3 123.3 . . ?
C3 C4 H4 118.0 . . ?
C5 C4 C3 124(3) . . ?
C5 C4 H4 118.0 . . ?
C4 C5 H5 119.3 . . ?
C6 C5 C4 121(3) . . ?
C6 C5 H5 119.3 . . ?
C1 C6 H6 119.9 . . ?
C5 C6 C1 120(3) . . ?
C5 C6 H6 119.9 . . ?
C8 C7 H7 121.5 . . ?
C8 C7 C12 117(2) . . ?
C12 C7 H7 121.5 . . ?
C7 C8 C9 124(2) . . ?
C7 C8 P1 119.2(18) . . ?
C9 C8 P1 117.0(17) . . ?
C8 C9 H9 123.4 . . ?
C8 C9 C10 113(2) . . ?
C10 C9 H9 123.4 . . ?
C9 C10 H10 115.8 . . ?
C11 C10 C9 128(3) . . ?
C11 C10 H10 115.8 . . ?
C10 C11 H11 122.4 . . ?
C10 C11 C12 115(2) . . ?
C12 C11 H11 122.4 . . ?
C7 C12 H12 118.8 . . ?
C11 C12 C7 122(2) . . ?
C11 C12 H12 118.8 . . ?
C14 C13 C18 117(2) . . ?
C14 C13 P1 119.3(17) . . ?
C18 C13 P1 123.6(16) . . ?
C13 C14 F1 116.1(18) . . ?
C15 C14 C13 124(2) . . ?
C15 C14 F1 119.7(17) . . ?
C14 C15 N1 125.5(19) . . ?
C16 C15 C14 117.8(19) . . ?
C16 C15 N1 115.7(19) . . ?
C15 C16 C17 122(2) . . ?
F2 C16 C15 121.3(19) . . ?
F2 C16 C17 116(2) . . ?
C16 C17 H17 121.7 . . ?
C16 C17 C18 117(2) . . ?
C18 C17 H17 121.7 . . ?
C13 C18 C17 122(2) . . ?
C13 C18 H18 119.1 . . ?
C17 C18 H18 119.1 . . ?
C20 C19 P2 117.1(17) . . ?
C24 C19 C20 117(2) . . ?
C24 C19 P2 124.9(18) . . ?
C21 C20 C19 123(2) . . ?
F4 C20 C19 117.5(19) . . ?
F4 C20 C21 120.0(19) . . ?
C20 C21 N2 126(2) . . ?
C22 C21 C20 117(2) . . ?
C22 C21 N2 117(2) . . ?
C21 C22 C23 125(2) . . ?
F3 C22 C21 117.6(19) . . ?
F3 C22 C23 118(2) . . ?
C22 C23 H23 121.9 . . ?
C22 C23 C24 116(2) . . ?
C24 C23 H23 121.9 . . ?
C19 C24 C23 122(2) . . ?
C19 C24 H24 118.9 . . ?
C23 C24 H24 118.9 . . ?
C26 C25 P2 118.8(19) . . ?
C30 C25 C26 124(3) . . ?
C30 C25 P2 118(2) . . ?
C25 C26 H26 121.3 . . ?
C25 C26 C27 117(3) . . ?
C27 C26 H26 121.3 . . ?
C26 C27 H27 121.1 . . ?
C28 C27 C26 118(3) . . ?
C28 C27 H27 121.1 . . ?
C27 C28 H28 118.4 . . ?
C27 C28 C29 123(3) . . ?
C29 C28 H28 118.4 . . ?
C28 C29 H29 120.4 . . ?
C30 C29 C28 119(3) . . ?
C30 C29 H29 120.4 . . ?
C25 C30 H30 120.7 . . ?
C29 C30 C25 119(3) . . ?
C29 C30 H30 120.7 . . ?
C32 C31 C36 120(2) . . ?
C32 C31 P2 119.7(17) . . ?
C36 C31 P2 120.7(18) . . ?
C31 C32 H32 119.6 . . ?
C33 C32 C31 121(2) . . ?
C33 C32 H32 119.6 . . ?
C32 C33 H33 121.1 . . ?
C32 C33 C34 118(2) . . ?
C34 C33 H33 121.1 . . ?
C33 C34 H34 118.2 . . ?
C35 C34 C33 124(2) . . ?
C35 C34 H34 118.2 . . ?
C34 C35 H35 120.6 . . ?
C34 C35 C36 119(2) . . ?
C36 C35 H35 120.6 . . ?
C31 C36 C35 119(2) . . ?
C31 C36 H36 120.6 . . ?
C35 C36 H36 120.6 . . ?
Cl3 C37 H37 103.4 . . ?
Cl3 C37 Cl4 117(4) . . ?
Cl3 C37 Cl5 119(3) . . ?
Cl4 C37 H37 103.4 . . ?
Cl5 C37 H37 103.4 . . ?
Cl5 C37 Cl4 108(3) . . ?
Cl7 C38 H38 109.5 . . ?
Cl7 C38 Cl8 114(2) . . ?
Cl7 C38 Cl6 105(2) . . ?
Cl8 C38 H38 109.5 . . ?
Cl6 C38 H38 109.5 . . ?
Cl6 C38 Cl8 109(2) . . ?
P1 Au1 Cl1 177.5(2) . . ?
P2 Au2 Cl2 173.7(3) . . ?
N1 N1 C15 110(2) 2_556 . ?
N2 N2 C21 114(2) 2_656 . ?
C1 P1 C8 107.5(11) . . ?
C1 P1 C13 105.7(11) . . ?
C1 P1 Au1 115.6(8) . . ?
C8 P1 Au1 114.3(8) . . ?
C13 P1 C8 104.4(11) . . ?
C13 P1 Au1 108.5(7) . . ?
C19 P2 C25 106.9(11) . . ?
C19 P2 C31 102.6(11) . . ?
C19 P2 Au2 110.6(7) . . ?
C25 P2 Au2 113.1(7) . . ?
C31 P2 C25 106.5(10) . . ?
C31 P2 Au2 116.2(8) . . ?
Cl9 C39 H39A 109.0 . . ?
Cl9 C39 H39B 109.0 . . ?
Cl10 C39 Cl9 112.9 . . ?
Cl10 C39 H39A 109.0 . . ?
Cl10 C39 H39B 109.0 . . ?
H39A C39 H39B 107.8 . . ?

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
C1 C2 C3 C4 3(4) . . . . ?
C2 C1 C6 C5 -3(4) . . . . ?
C2 C1 P1 C8 -100(2) . . . . ?
C2 C1 P1 C13 149(2) . . . . ?
C2 C1 P1 Au1 29(2) . . . . ?
C2 C3 C4 C5 0(4) . . . . ?
C3 C4 C5 C6 -4(5) . . . . ?
C4 C5 C6 C1 6(4) . . . . ?
C6 C1 C2 C3 -1(4) . . . . ?
C6 C1 P1 C8 78(2) . . . . ?
C6 C1 P1 C13 -33(2) . . . . ?
C6 C1 P1 Au1 -152.9(17) . . . . ?
C7 C8 C9 C10 1(4) . . . . ?
C7 C8 P1 C1 -14(2) . . . . ?
C7 C8 P1 C13 98(2) . . . . ?
C7 C8 P1 Au1 -143.9(19) . . . . ?
C8 C7 C12 C11 -5(4) . . . . ?
C8 C9 C10 C11 -3(4) . . . . ?
C9 C8 P1 C1 162(2) . . . . ?
C9 C8 P1 C13 -86(2) . . . . ?
C9 C8 P1 Au1 33(2) . . . . ?
C9 C10 C11 C12 1(4) . . . . ?
C10 C11 C12 C7 3(4) . . . . ?
C12 C7 C8 C9 3(4) . . . . ?
C12 C7 C8 P1 179(2) . . . . ?
C13 C14 C15 C16 4(3) . . . . ?
C13 C14 C15 N1 172(2) . . . . ?
C14 C13 C18 C17 -4(3) . . . . ?
C14 C13 P1 C1 -64(2) . . . . ?
C14 C13 P1 C8 -177.5(18) . . . . ?
C14 C13 P1 Au1 60.3(19) . . . . ?
C14 C15 C16 C17 -5(3) . . . . ?
C14 C15 C16 F2 176.3(18) . . . . ?
C14 C15 N1 N1 42(3) . . . 2_556 ?
C15 C16 C17 C18 2(3) . . . . ?
C16 C15 N1 N1 -150(2) . . . 2_556 ?
C16 C17 C18 C13 3(4) . . . . ?
C18 C13 C14 C15 0(3) . . . . ?
C18 C13 C14 F1 178.0(18) . . . . ?
C18 C13 P1 C1 121(2) . . . . ?
C18 C13 P1 C8 8(2) . . . . ?
C18 C13 P1 Au1 -114.4(19) . . . . ?
C19 C20 C21 C22 -1(3) . . . . ?
C19 C20 C21 N2 -174(2) . . . . ?
C20 C19 C24 C23 -5(4) . . . . ?
C20 C19 P2 C25 70.4(18) . . . . ?
C20 C19 P2 C31 -177.7(17) . . . . ?
C20 C19 P2 Au2 -53.1(18) . . . . ?
C20 C21 C22 C23 2(3) . . . . ?
C20 C21 C22 F3 -176.1(19) . . . . ?
C20 C21 N2 N2 -34(3) . . . 2_656 ?
C21 C22 C23 C24 -5(4) . . . . ?
C22 C21 N2 N2 152(2) . . . 2_656 ?
C22 C23 C24 C19 6(4) . . . . ?
C24 C19 C20 C21 2(3) . . . . ?
C24 C19 C20 F4 -178(2) . . . . ?
C24 C19 P2 C25 -121(2) . . . . ?
C24 C19 P2 C31 -9(2) . . . . ?
C24 C19 P2 Au2 116(2) . . . . ?
C25 C26 C27 C28 1(4) . . . . ?
C26 C25 C30 C29 1(4) . . . . ?
C26 C25 P2 C19 16(2) . . . . ?
C26 C25 P2 C31 -92.8(19) . . . . ?
C26 C25 P2 Au2 138.3(16) . . . . ?
C26 C27 C28 C29 1(5) . . . . ?
C27 C28 C29 C30 -2(5) . . . . ?
C28 C29 C30 C25 0(5) . . . . ?
C30 C25 C26 C27 -2(3) . . . . ?
C30 C25 P2 C19 -163.0(19) . . . . ?
C30 C25 P2 C31 88(2) . . . . ?
C30 C25 P2 Au2 -41(2) . . . . ?
C31 C32 C33 C34 1(4) . . . . ?
C32 C31 C36 C35 -3(4) . . . . ?
C32 C31 P2 C19 103(2) . . . . ?
C32 C31 P2 C25 -144(2) . . . . ?
C32 C31 P2 Au2 -17(2) . . . . ?
C32 C33 C34 C35 -8(5) . . . . ?
C33 C34 C35 C36 8(5) . . . . ?
C34 C35 C36 C31 -3(4) . . . . ?
C36 C31 C32 C33 4(4) . . . . ?
C36 C31 P2 C19 -79(2) . . . . ?
C36 C31 P2 C25 33(2) . . . . ?
C36 C31 P2 Au2 160.3(18) . . . . ?
F1 C14 C15 C16 -173.6(18) . . . . ?
F1 C14 C15 N1 -6(3) . . . . ?
F2 C16 C17 C18 -180(2) . . . . ?
F3 C22 C23 C24 173(2) . . . . ?
F4 C20 C21 C22 179(2) . . . . ?
F4 C20 C21 N2 6(3) . . . . ?
N1 C15 C16 C17 -174(2) . . . . ?
N1 C15 C16 F2 7(3) . . . . ?
N2 C21 C22 C23 176(2) . . . . ?
N2 C21 C22 F3 -2(3) . . . . ?
P1 C1 C2 C3 177(2) . . . . ?
P1 C1 C6 C5 178(2) . . . . ?
P1 C8 C9 C10 -176(2) . . . . ?
P1 C13 C14 C15 -174.6(16) . . . . ?
P1 C13 C14 F1 3(3) . . . . ?
P1 C13 C18 C17 170.8(19) . . . . ?
P2 C19 C20 C21 171.5(18) . . . . ?
P2 C19 C20 F4 -8(3) . . . . ?
P2 C19 C24 C23 -174(2) . . . . ?
P2 C25 C26 C27 178.3(17) . . . . ?
P2 C25 C30 C29 -179(2) . . . . ?
P2 C31 C32 C33 -179(2) . . . . ?
P2 C31 C36 C35 179.4(19) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.9454(12)
2 0.0546(12)

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

data_ta1079-out
_database_code_depnum_ccdc_archive 'CCDC 1484590'
_audit_update_record             
;
2016-09-16 deposited with the CCDC.
2017-12-12 downloaded from the CCDC.
;
_audit_creation_date             2016-09-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C36 H24 Au2 Cl2 F4 N2 P2, 0.8(C H Cl3)'
_chemical_formula_sum            'C36.80 H24.80 Au2 Cl4.40 F4 N2 P2'
_chemical_formula_weight         1182.85
_chemical_melting_point          ?
_chemical_oxdiff_formula         C36.8H24.8Au2Cl4.5F4N2P2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   18.4530(16)
_cell_length_b                   18.5065(19)
_cell_length_c                   11.1568(13)
_cell_angle_alpha                90
_cell_angle_beta                 97.085(10)
_cell_angle_gamma                90
_cell_volume                     3781.0(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4093
_cell_measurement_temperature    250
_cell_measurement_theta_max      28.6660
_cell_measurement_theta_min      3.6920
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    8.198
_exptl_absorpt_correction_T_max  0.04465
_exptl_absorpt_correction_T_min  0.02146
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.7b (Rigaku Oxford Diffraction, 2015)
Spherical absorption correction
 using equivalent radius and absorption coefficient.
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    2.078
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2234
_exptl_crystal_preparation       Fiber
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.11
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0781
_diffrn_reflns_av_unetI/netI     0.0596
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.897
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            55840
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.897
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.778
_diffrn_reflns_theta_min         3.489
_diffrn_ambient_temperature      250
_diffrn_detector                 PILT
_diffrn_detector_area_resol_mean 5.8140
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.897
_diffrn_measurement_details      
'List of Runs (angles in degrees, time in seconds): # Type Start End Width tₑₓₚ ω θ κ φ Frames -------------------------------------------------------------------------- 1 ω -69.00 85.00 0.50 30.00 -- -5.00 8.00 -36.00 308 2 ω -41.00 85.00 0.50 30.00 -- -5.00 72.00-144.00 252 3 ω -79.00 33.50 0.50 30.00 -- -5.00 -24.00 -72.00 225 4 ω -95.00 -50.00 0.50 30.00 -- -5.00 -8.00-180.00 90'
_diffrn_measurement_device       'AFC12 (Right): Kappa 3 circle'
_diffrn_measurement_device_type  'Rigaku Pilatus 200K'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support Fiber
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0287965000
_diffrn_orient_matrix_UB_12      -0.0044830000
_diffrn_orient_matrix_UB_13      0.0359027000
_diffrn_orient_matrix_UB_21      -0.0159358000
_diffrn_orient_matrix_UB_22      -0.0265916000
_diffrn_orient_matrix_UB_23      -0.0407379000
_diffrn_orient_matrix_UB_31      0.0204553000
_diffrn_orient_matrix_UB_32      -0.0272537000
_diffrn_orient_matrix_UB_33      0.0339145000
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   MicroMax003_Mo
_diffrn_source_current           0.6
_diffrn_source_power             0.0
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_source_voltage           50.0
_diffrn_special_details          
;
 ?
;
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6431
_reflns_number_total             9695
_reflns_odcompleteness_completeness 99.62
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.7b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.7b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.7b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.255
_refine_diff_density_min         -0.975
_refine_diff_density_rms         0.149
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     493
_refine_ls_number_reflns         9695
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.0727
_refine_ls_R_factor_gt           0.0403
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0513P)²+0.9699P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0991
_refine_ls_wR_factor_ref         0.1115
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Rigid body (RIGU) restrains
 Cl8, C38, H38, Cl6, Cl7
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 Cl5, Cl4, Cl3, C37, H37
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
3. Others
 Fixed Sof: Cl8(0.4) C38(0.4) H38(0.4) Cl6(0.4) Cl7(0.4) Cl5(0.4) Cl4(0.4)
 Cl3(0.4) C37(0.4) H37(0.4)
4.a Free rotating group:
 Cl8(C38,Cl6,Cl7), Cl5(Cl4,Cl3,C37)
4.b Ternary CH refined with riding coordinates:
 C38(H38), C37(H37)
4.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C14(H14), C15(H15), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24),
  C26(H26), C27(H27), C28(H28), C29(H29), C30(H30), C35(H35), C36(H36)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.59832(2) 0.60511(2) 0.51272(2) 0.05450(9) Uani 1 1 d . . . . .
Au2 Au 0.97394(2) 0.38836(2) 0.66358(2) 0.05508(9) Uani 1 1 d . . . . .
C1 C 0.5510(3) 0.5387(3) 0.7651(4) 0.0483(12) Uani 1 1 d . . . . .
C2 C 0.5449(3) 0.6070(3) 0.8148(6) 0.0608(15) Uani 1 1 d . . . . .
H2 H 0.5781 0.6433 0.7993 0.073 Uiso 1 1 calc R . . . .
C3 C 0.4915(4) 0.6222(4) 0.8859(6) 0.0709(17) Uani 1 1 d . . . . .
H3 H 0.4887 0.6682 0.9208 0.085 Uiso 1 1 calc R . . . .
C4 C 0.4418(4) 0.5687(4) 0.9057(5) 0.0703(18) Uani 1 1 d . . . . .
H4 H 0.4042 0.5791 0.9528 0.084 Uiso 1 1 calc R . . . .
C5 C 0.4464(3) 0.5011(4) 0.8576(5) 0.0643(16) Uani 1 1 d . . . . .
H5 H 0.4121 0.4655 0.8714 0.077 Uiso 1 1 calc R . . . .
C6 C 0.5022(3) 0.4850(4) 0.7881(5) 0.0573(14) Uani 1 1 d . . . . .
H6 H 0.5067 0.4382 0.7571 0.069 Uiso 1 1 calc R . . . .
C7 C 0.7072(3) 0.5320(3) 0.7557(5) 0.0537(13) Uani 1 1 d . . . . .
C8 C 0.7688(3) 0.5266(4) 0.6955(6) 0.0733(18) Uani 1 1 d . . . . .
H8 H 0.7635 0.5226 0.6109 0.088 Uiso 1 1 calc R . . . .
C9 C 0.8374(3) 0.5273(4) 0.7597(7) 0.081(2) Uani 1 1 d . . . . .
H9 H 0.8788 0.5240 0.7186 0.097 Uiso 1 1 calc R . . . .
C10 C 0.8458(4) 0.5326(4) 0.8834(7) 0.0723(18) Uani 1 1 d . . . . .
H10 H 0.8928 0.5325 0.9269 0.087 Uiso 1 1 calc R . . . .
C11 C 0.7863(4) 0.5380(4) 0.9426(6) 0.0718(17) Uani 1 1 d . . . . .
H11 H 0.7918 0.5423 1.0272 0.086 Uiso 1 1 calc R . . . .
C12 C 0.7164(3) 0.5371(3) 0.8770(5) 0.0626(15) Uani 1 1 d . . . . .
H12 H 0.6751 0.5401 0.9185 0.075 Uiso 1 1 calc R . . . .
C13 C 0.6133(3) 0.4337(3) 0.6102(4) 0.0460(11) Uani 1 1 d . . . . .
C14 C 0.5891(3) 0.4185(3) 0.4889(5) 0.0502(12) Uani 1 1 d . . . . .
H14 H 0.5714 0.4564 0.4373 0.060 Uiso 1 1 calc R . . . .
C15 C 0.5903(3) 0.3503(3) 0.4435(5) 0.0510(13) Uani 1 1 d . . . . .
H15 H 0.5727 0.3410 0.3623 0.061 Uiso 1 1 calc R . . . .
C16 C 0.6178(3) 0.2951(3) 0.5186(5) 0.0458(11) Uani 1 1 d . . . . .
C17 C 0.6437(3) 0.3070(3) 0.6382(4) 0.0459(11) Uani 1 1 d . . . . .
C18 C 0.6381(3) 0.3760(3) 0.6819(4) 0.0463(12) Uani 1 1 d . . . . .
C19 C 0.8457(3) 0.4457(3) 0.4410(5) 0.0503(12) Uani 1 1 d . . . . .
C20 C 0.8751(3) 0.5149(3) 0.4554(6) 0.0686(17) Uani 1 1 d . . . . .
H20 H 0.9229 0.5215 0.4939 0.082 Uiso 1 1 calc R . . . .
C21 C 0.8334(4) 0.5741(4) 0.4126(8) 0.087(2) Uani 1 1 d . . . . .
H21 H 0.8530 0.6210 0.4218 0.104 Uiso 1 1 calc R . . . .
C22 C 0.7635(4) 0.5640(4) 0.3565(8) 0.088(2) Uani 1 1 d . . . . .
H22 H 0.7351 0.6042 0.3288 0.105 Uiso 1 1 calc R . . . .
C23 C 0.7343(4) 0.4951(4) 0.3405(6) 0.0707(17) Uani 1 1 d . . . . .
H23 H 0.6871 0.4883 0.2998 0.085 Uiso 1 1 calc R . . . .
C24 C 0.7757(3) 0.4367(3) 0.3855(5) 0.0545(13) Uani 1 1 d . . . . .
H24 H 0.7556 0.3900 0.3778 0.065 Uiso 1 1 calc R . . . .
C25 C 0.9554(3) 0.3549(3) 0.3599(5) 0.0531(13) Uani 1 1 d . . . . .
C26 C 1.0126(3) 0.3083(4) 0.3723(6) 0.0671(16) Uani 1 1 d . . . . .
H26 H 1.0277 0.2859 0.4469 0.080 Uiso 1 1 calc R . . . .
C27 C 1.0492(4) 0.2942(4) 0.2704(8) 0.085(2) Uani 1 1 d . . . . .
H27 H 1.0878 0.2607 0.2764 0.102 Uiso 1 1 calc R . . . .
C28 C 1.0290(4) 0.3283(4) 0.1650(6) 0.0757(19) Uani 1 1 d . . . . .
H28 H 1.0542 0.3188 0.0985 0.091 Uiso 1 1 calc R . . . .
C29 C 0.9733(4) 0.3757(5) 0.1532(6) 0.081(2) Uani 1 1 d . . . . .
H29 H 0.9604 0.3993 0.0790 0.098 Uiso 1 1 calc R . . . .
C30 C 0.9346(4) 0.3902(4) 0.2505(5) 0.0653(17) Uani 1 1 d . . . . .
H30 H 0.8954 0.4229 0.2424 0.078 Uiso 1 1 calc R . . . .
C31 C 0.8485(3) 0.2909(3) 0.4949(4) 0.0443(11) Uani 1 1 d . . . . .
C32 C 0.8025(3) 0.2858(3) 0.5836(4) 0.0455(11) Uani 1 1 d . . . . .
C33 C 0.7628(3) 0.2245(3) 0.6033(4) 0.0453(11) Uani 1 1 d . . . . .
C34 C 0.7726(3) 0.1649(3) 0.5293(5) 0.0487(12) Uani 1 1 d . . . . .
C35 C 0.8162(3) 0.1670(3) 0.4394(4) 0.0514(13) Uani 1 1 d . . . . .
H35 H 0.8205 0.1265 0.3900 0.062 Uiso 1 1 calc R . . . .
C36 C 0.8539(3) 0.2300(3) 0.4225(5) 0.0504(12) Uani 1 1 d . . . . .
H36 H 0.8841 0.2319 0.3605 0.060 Uiso 1 1 calc R . . . .
Cl1 Cl 0.57157(10) 0.68576(9) 0.35919(16) 0.0770(5) Uani 1 1 d . . . . .
Cl2 Cl 1.03851(13) 0.40628(12) 0.84780(15) 0.0911(6) Uani 1 1 d . . . . .
F1 F 0.6582(2) 0.38673(18) 0.7997(3) 0.0629(8) Uani 1 1 d . . . . .
F2 F 0.61820(18) 0.22678(17) 0.4764(3) 0.0567(7) Uani 1 1 d . . . . .
F3 F 0.79638(17) 0.34324(16) 0.6558(3) 0.0540(7) Uani 1 1 d . . . . .
F4 F 0.7364(2) 0.10434(16) 0.5506(3) 0.0622(8) Uani 1 1 d . . . . .
N1 N 0.6699(3) 0.2504(3) 0.7220(4) 0.0526(11) Uani 1 1 d . . . . .
N2 N 0.7228(3) 0.2125(2) 0.7040(4) 0.0500(10) Uani 1 1 d . . . . .
P1 P 0.61864(7) 0.52669(8) 0.66464(12) 0.0484(3) Uani 1 1 d . . . . .
P2 P 0.90543(7) 0.37095(8) 0.48767(11) 0.0461(3) Uani 1 1 d . . . . .
Cl8 Cl 0.1948(3) 0.2908(5) 0.9662(7) 0.129(3) Uani 0.4 1 d . U P A 1
C38 C 0.2719(3) 0.2554(3) 0.9061(6) 0.114(6) Uani 0.4 1 d G U P A 1
H38 H 0.2881 0.2117 0.9533 0.136 Uiso 0.4 1 calc R U P A 1
Cl6 Cl 0.2489(5) 0.2287(4) 0.7536(7) 0.121(3) Uani 0.4 1 d G U P A 1
Cl7 Cl 0.3454(3) 0.3178(6) 0.9216(9) 0.103(4) Uani 0.4 1 d G U P A 1
Cl5 Cl 0.3278(5) 0.3333(5) 0.9070(9) 0.095(3) Uani 0.4 1 d . U P B 2
Cl4 Cl 0.2156(7) 0.2700(6) 1.0377(10) 0.220(7) Uani 0.4 1 d G U P B 2
Cl3 Cl 0.2546(5) 0.1994(4) 0.8205(10) 0.167(5) Uani 0.4 1 d G U P B 2
C37 C 0.2867(5) 0.2521(4) 0.9489(7) 0.157(8) Uani 0.4 1 d G U P B 2
H37 H 0.3246 0.2237 0.9989 0.189 Uiso 0.4 1 calc R U P B 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 Cl1 2.2797(16) . ?
Au1 P1 2.2278(14) . ?
Au2 Cl2 2.2693(16) . ?
Au2 P2 2.2230(13) . ?
C1 C2 1.390(8) . ?
C1 C6 1.385(8) . ?
C1 P1 1.792(5) . ?
C2 H2 0.9400 . ?
C2 C3 1.368(9) . ?
C3 H3 0.9400 . ?
C3 C4 1.386(10) . ?
C4 H4 0.9400 . ?
C4 C5 1.369(10) . ?
C5 H5 0.9400 . ?
C5 C6 1.395(8) . ?
C6 H6 0.9400 . ?
C7 C8 1.394(8) . ?
C7 C12 1.346(8) . ?
C7 P1 1.817(5) . ?
C8 H8 0.9400 . ?
C8 C9 1.375(9) . ?
C9 H9 0.9400 . ?
C9 C10 1.374(10) . ?
C10 H10 0.9400 . ?
C10 C11 1.353(10) . ?
C11 H11 0.9400 . ?
C11 C12 1.404(8) . ?
C12 H12 0.9400 . ?
C13 C14 1.401(7) . ?
C13 C18 1.378(7) . ?
C13 P1 1.823(5) . ?
C14 H14 0.9400 . ?
C14 C15 1.361(8) . ?
C15 H15 0.9400 . ?
C15 C16 1.378(8) . ?
C16 C17 1.378(7) . ?
C16 F2 1.350(6) . ?
C17 C18 1.376(7) . ?
C17 N1 1.447(7) . ?
C18 F1 1.337(6) . ?
C19 C20 1.392(8) . ?
C19 C24 1.372(8) . ?
C19 P2 1.805(6) . ?
C20 H20 0.9400 . ?
C20 C21 1.389(10) . ?
C21 H21 0.9400 . ?
C21 C22 1.376(11) . ?
C22 H22 0.9400 . ?
C22 C23 1.386(11) . ?
C23 H23 0.9400 . ?
C23 C24 1.382(9) . ?
C24 H24 0.9400 . ?
C25 C26 1.358(9) . ?
C25 C30 1.395(8) . ?
C25 P2 1.815(5) . ?
C26 H26 0.9400 . ?
C26 C27 1.416(10) . ?
C27 H27 0.9400 . ?
C27 C28 1.346(11) . ?
C28 H28 0.9400 . ?
C28 C29 1.345(11) . ?
C29 H29 0.9400 . ?
C29 C30 1.397(9) . ?
C30 H30 0.9400 . ?
C31 C32 1.384(7) . ?
C31 C36 1.397(7) . ?
C31 P2 1.824(5) . ?
C32 C33 1.383(7) . ?
C32 F3 1.346(6) . ?
C33 C34 1.402(7) . ?
C33 N2 1.435(6) . ?
C34 C35 1.361(7) . ?
C34 F4 1.341(6) . ?
C35 H35 0.9400 . ?
C35 C36 1.383(8) . ?
C36 H36 0.9400 . ?
N1 N2 1.238(6) . ?
Cl8 C38 1.7710 . ?
C38 H38 0.9900 . ?
C38 Cl6 1.7724 . ?
C38 Cl7 1.7743 . ?
Cl5 C37 1.7717 . ?
Cl4 C37 1.7695 . ?
Cl3 C37 1.7748 . ?
C37 H37 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Au1 Cl1 177.12(6) . . ?
P2 Au2 Cl2 177.04(7) . . ?
C2 C1 P1 117.3(4) . . ?
C6 C1 C2 119.5(5) . . ?
C6 C1 P1 123.1(4) . . ?
C1 C2 H2 119.4 . . ?
C3 C2 C1 121.2(6) . . ?
C3 C2 H2 119.4 . . ?
C2 C3 H3 120.5 . . ?
C2 C3 C4 118.9(6) . . ?
C4 C3 H3 120.5 . . ?
C3 C4 H4 119.5 . . ?
C5 C4 C3 121.0(6) . . ?
C5 C4 H4 119.5 . . ?
C4 C5 H5 120.0 . . ?
C4 C5 C6 119.9(6) . . ?
C6 C5 H5 120.0 . . ?
C1 C6 C5 119.4(6) . . ?
C1 C6 H6 120.3 . . ?
C5 C6 H6 120.3 . . ?
C8 C7 P1 117.3(4) . . ?
C12 C7 C8 118.7(5) . . ?
C12 C7 P1 124.0(5) . . ?
C7 C8 H8 119.9 . . ?
C9 C8 C7 120.2(6) . . ?
C9 C8 H8 119.9 . . ?
C8 C9 H9 119.8 . . ?
C10 C9 C8 120.4(7) . . ?
C10 C9 H9 119.8 . . ?
C9 C10 H10 120.0 . . ?
C11 C10 C9 119.9(6) . . ?
C11 C10 H10 120.0 . . ?
C10 C11 H11 120.2 . . ?
C10 C11 C12 119.6(6) . . ?
C12 C11 H11 120.2 . . ?
C7 C12 C11 121.3(6) . . ?
C7 C12 H12 119.4 . . ?
C11 C12 H12 119.4 . . ?
C14 C13 P1 120.7(4) . . ?
C18 C13 C14 116.6(5) . . ?
C18 C13 P1 122.5(4) . . ?
C13 C14 H14 119.0 . . ?
C15 C14 C13 121.9(5) . . ?
C15 C14 H14 119.0 . . ?
C14 C15 H15 120.6 . . ?
C14 C15 C16 118.9(5) . . ?
C16 C15 H15 120.6 . . ?
C15 C16 C17 121.9(5) . . ?
F2 C16 C15 120.0(4) . . ?
F2 C16 C17 118.1(5) . . ?
C16 C17 N1 124.0(5) . . ?
C18 C17 C16 117.3(5) . . ?
C18 C17 N1 118.5(4) . . ?
C17 C18 C13 123.2(5) . . ?
F1 C18 C13 119.2(5) . . ?
F1 C18 C17 117.5(5) . . ?
C20 C19 P2 117.1(4) . . ?
C24 C19 C20 119.7(5) . . ?
C24 C19 P2 123.0(4) . . ?
C19 C20 H20 120.2 . . ?
C21 C20 C19 119.7(6) . . ?
C21 C20 H20 120.2 . . ?
C20 C21 H21 120.1 . . ?
C22 C21 C20 119.8(7) . . ?
C22 C21 H21 120.1 . . ?
C21 C22 H22 119.6 . . ?
C21 C22 C23 120.8(7) . . ?
C23 C22 H22 119.6 . . ?
C22 C23 H23 120.5 . . ?
C24 C23 C22 119.0(6) . . ?
C24 C23 H23 120.5 . . ?
C19 C24 C23 121.1(6) . . ?
C19 C24 H24 119.5 . . ?
C23 C24 H24 119.5 . . ?
C26 C25 C30 120.8(6) . . ?
C26 C25 P2 119.2(5) . . ?
C30 C25 P2 119.9(5) . . ?
C25 C26 H26 120.8 . . ?
C25 C26 C27 118.5(7) . . ?
C27 C26 H26 120.8 . . ?
C26 C27 H27 119.8 . . ?
C28 C27 C26 120.4(7) . . ?
C28 C27 H27 119.8 . . ?
C27 C28 H28 119.4 . . ?
C29 C28 C27 121.2(7) . . ?
C29 C28 H28 119.4 . . ?
C28 C29 H29 119.8 . . ?
C28 C29 C30 120.4(7) . . ?
C30 C29 H29 119.8 . . ?
C25 C30 C29 118.6(7) . . ?
C25 C30 H30 120.7 . . ?
C29 C30 H30 120.7 . . ?
C32 C31 C36 117.0(5) . . ?
C32 C31 P2 119.6(4) . . ?
C36 C31 P2 123.1(4) . . ?
C33 C32 C31 123.5(5) . . ?
F3 C32 C31 118.6(4) . . ?
F3 C32 C33 117.9(4) . . ?
C32 C33 C34 116.3(4) . . ?
C32 C33 N2 125.7(4) . . ?
C34 C33 N2 117.1(5) . . ?
C35 C34 C33 122.8(5) . . ?
F4 C34 C33 116.7(5) . . ?
F4 C34 C35 120.5(5) . . ?
C34 C35 H35 120.7 . . ?
C34 C35 C36 118.6(5) . . ?
C36 C35 H35 120.7 . . ?
C31 C36 H36 119.1 . . ?
C35 C36 C31 121.8(5) . . ?
C35 C36 H36 119.1 . . ?
N2 N1 C17 120.8(4) . . ?
N1 N2 C33 122.1(4) . . ?
C1 P1 Au1 109.30(18) . . ?
C1 P1 C7 107.0(3) . . ?
C1 P1 C13 108.2(2) . . ?
C7 P1 Au1 116.5(2) . . ?
C7 P1 C13 104.2(2) . . ?
C13 P1 Au1 111.34(17) . . ?
C19 P2 Au2 113.85(18) . . ?
C19 P2 C25 104.5(3) . . ?
C19 P2 C31 107.5(2) . . ?
C25 P2 Au2 115.38(18) . . ?
C25 P2 C31 104.6(2) . . ?
C31 P2 Au2 110.28(16) . . ?
Cl8 C38 H38 107.7 . . ?
Cl8 C38 Cl6 111.0 . . ?
Cl8 C38 Cl7 111.2 . . ?
Cl6 C38 H38 107.7 . . ?
Cl6 C38 Cl7 111.4 . . ?
Cl7 C38 H38 107.7 . . ?
Cl5 C37 Cl3 111.4 . . ?
Cl5 C37 H37 107.7 . . ?
Cl4 C37 Cl5 111.1 . . ?
Cl4 C37 Cl3 111.0 . . ?
Cl4 C37 H37 107.7 . . ?
Cl3 C37 H37 107.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 C2 C3 C4 -1.7(10) . . . . ?
C2 C1 C6 C5 2.0(8) . . . . ?
C2 C1 P1 Au1 -57.2(5) . . . . ?
C2 C1 P1 C7 69.7(5) . . . . ?
C2 C1 P1 C13 -178.6(4) . . . . ?
C2 C3 C4 C5 1.5(10) . . . . ?
C3 C4 C5 C6 0.4(9) . . . . ?
C4 C5 C6 C1 -2.1(8) . . . . ?
C6 C1 C2 C3 -0.1(9) . . . . ?
C6 C1 P1 Au1 118.3(4) . . . . ?
C6 C1 P1 C7 -114.8(5) . . . . ?
C6 C1 P1 C13 -3.1(5) . . . . ?
C7 C8 C9 C10 0.5(12) . . . . ?
C8 C7 C12 C11 0.8(10) . . . . ?
C8 C7 P1 Au1 -55.2(6) . . . . ?
C8 C7 P1 C1 -177.8(5) . . . . ?
C8 C7 P1 C13 67.8(6) . . . . ?
C8 C9 C10 C11 -0.6(11) . . . . ?
C9 C10 C11 C12 0.8(10) . . . . ?
C10 C11 C12 C7 -0.9(10) . . . . ?
C12 C7 C8 C9 -0.6(10) . . . . ?
C12 C7 P1 Au1 128.2(5) . . . . ?
C12 C7 P1 C1 5.6(6) . . . . ?
C12 C7 P1 C13 -108.8(5) . . . . ?
C13 C14 C15 C16 -1.5(8) . . . . ?
C14 C13 C18 C17 4.0(8) . . . . ?
C14 C13 C18 F1 -176.5(5) . . . . ?
C14 C13 P1 Au1 -8.2(5) . . . . ?
C14 C13 P1 C1 112.0(4) . . . . ?
C14 C13 P1 C7 -134.5(4) . . . . ?
C14 C15 C16 C17 0.3(8) . . . . ?
C14 C15 C16 F2 178.6(5) . . . . ?
C15 C16 C17 C18 2.9(8) . . . . ?
C15 C16 C17 N1 177.0(5) . . . . ?
C16 C17 C18 C13 -5.2(8) . . . . ?
C16 C17 C18 F1 175.3(4) . . . . ?
C16 C17 N1 N2 60.9(7) . . . . ?
C17 N1 N2 C33 2.9(7) . . . . ?
C18 C13 C14 C15 -0.5(7) . . . . ?
C18 C13 P1 Au1 166.4(4) . . . . ?
C18 C13 P1 C1 -73.4(5) . . . . ?
C18 C13 P1 C7 40.1(5) . . . . ?
C18 C17 N1 N2 -125.1(5) . . . . ?
C19 C20 C21 C22 0.1(11) . . . . ?
C20 C19 C24 C23 1.7(9) . . . . ?
C20 C19 P2 Au2 43.5(5) . . . . ?
C20 C19 P2 C25 -83.3(5) . . . . ?
C20 C19 P2 C31 165.9(4) . . . . ?
C20 C21 C22 C23 -1.0(12) . . . . ?
C21 C22 C23 C24 2.2(11) . . . . ?
C22 C23 C24 C19 -2.5(10) . . . . ?
C24 C19 C20 C21 -0.5(10) . . . . ?
C24 C19 P2 Au2 -141.2(4) . . . . ?
C24 C19 P2 C25 92.1(5) . . . . ?
C24 C19 P2 C31 -18.7(5) . . . . ?
C25 C26 C27 C28 2.3(10) . . . . ?
C26 C25 C30 C29 0.9(10) . . . . ?
C26 C25 P2 Au2 45.0(5) . . . . ?
C26 C25 P2 C19 170.7(5) . . . . ?
C26 C25 P2 C31 -76.4(5) . . . . ?
C26 C27 C28 C29 -0.8(12) . . . . ?
C27 C28 C29 C30 -0.6(12) . . . . ?
C28 C29 C30 C25 0.6(11) . . . . ?
C30 C25 C26 C27 -2.3(9) . . . . ?
C30 C25 P2 Au2 -135.2(4) . . . . ?
C30 C25 P2 C19 -9.4(5) . . . . ?
C30 C25 P2 C31 103.5(5) . . . . ?
C31 C32 C33 C34 1.5(7) . . . . ?
C31 C32 C33 N2 170.5(5) . . . . ?
C32 C31 C36 C35 -1.0(8) . . . . ?
C32 C31 P2 Au2 55.6(4) . . . . ?
C32 C31 P2 C19 -69.0(4) . . . . ?
C32 C31 P2 C25 -179.7(4) . . . . ?
C32 C33 C34 C35 -2.4(8) . . . . ?
C32 C33 C34 F4 177.6(4) . . . . ?
C32 C33 N2 N1 63.5(7) . . . . ?
C33 C34 C35 C36 1.7(8) . . . . ?
C34 C33 N2 N1 -127.5(5) . . . . ?
C34 C35 C36 C31 0.1(8) . . . . ?
C36 C31 C32 C33 0.2(7) . . . . ?
C36 C31 C32 F3 179.5(4) . . . . ?
C36 C31 P2 Au2 -117.6(4) . . . . ?
C36 C31 P2 C19 117.7(5) . . . . ?
C36 C31 P2 C25 7.0(5) . . . . ?
F2 C16 C17 C18 -175.5(4) . . . . ?
F2 C16 C17 N1 -1.4(7) . . . . ?
F3 C32 C33 C34 -177.8(4) . . . . ?
F3 C32 C33 N2 -8.8(7) . . . . ?
F4 C34 C35 C36 -178.4(5) . . . . ?
N1 C17 C18 C13 -179.5(5) . . . . ?
N1 C17 C18 F1 0.9(7) . . . . ?
N2 C33 C34 C35 -172.5(5) . . . . ?
N2 C33 C34 F4 7.6(7) . . . . ?
P1 C1 C2 C3 175.6(5) . . . . ?
P1 C1 C6 C5 -173.4(4) . . . . ?
P1 C7 C8 C9 -177.3(6) . . . . ?
P1 C7 C12 C11 177.4(5) . . . . ?
P1 C13 C14 C15 174.4(4) . . . . ?
P1 C13 C18 C17 -170.9(4) . . . . ?
P1 C13 C18 F1 8.7(7) . . . . ?
P2 C19 C20 C21 175.0(6) . . . . ?
P2 C19 C24 C23 -173.6(4) . . . . ?
P2 C25 C26 C27 177.5(5) . . . . ?
P2 C25 C30 C29 -178.9(5) . . . . ?
P2 C31 C32 C33 -173.5(4) . . . . ?
P2 C31 C32 F3 5.8(6) . . . . ?
P2 C31 C36 C35 172.4(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.675
_oxdiff_exptl_absorpt_empirical_full_min 0.536
