# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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. 
# 
#######################################################################

data_umpypaucu
_database_code_depnum_ccdc_archive 'CCDC 1524170'
_audit_update_record             
;
2016-12-22 deposited with the CCDC.
2017-02-09 downloaded from the CCDC.
;
_audit_creation_date             2015-02-06
_audit_creation_method           
;
  Olex2 1.2-ac2
  (compiled Nov  7 2012 10:32:32, GUI svn.r4372)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C36 H32 Au2 Cl2 Cu N2 P2, F6 P'
_chemical_formula_sum            'C36 H32 Au2 Cl2 Cu F6 N2 P3'
_chemical_formula_weight         1227.92
_chemical_melting_point          ?
_chemical_oxdiff_formula         C18H16N1P2F6Cl1Au1Cu1
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   10.4810(2)
_cell_length_b                   14.0777(3)
_cell_length_c                   14.7299(3)
_cell_angle_alpha                86.0014(17)
_cell_angle_beta                 72.374(2)
_cell_angle_gamma                68.873(2)
_cell_volume                     1930.22(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9391
_cell_measurement_temperature    150
_cell_measurement_theta_max      29.1500
_cell_measurement_theta_min      2.8980
_exptl_absorpt_coefficient_mu    8.450
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.71293
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.113
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1164
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0241
_diffrn_reflns_av_unetI/netI     0.0368
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            17722
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         29.43
_diffrn_reflns_theta_min         2.08
_diffrn_ambient_temperature      150
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.2705
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.9997
_diffrn_measured_fraction_theta_max 0.8337
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega    0.00   69.00   1.0000   62.5000
omega____ theta____ kappa____ phi______ frames
    -       15.2805   57.0000    0.0000 69

#__ type_ start__ end____ width___ exp.time_
  2 omega   -7.00   75.00   1.0000   62.5000
omega____ theta____ kappa____ phi______ frames
    -       15.2805   77.0000   90.0000 82

#__ type_ start__ end____ width___ exp.time_
  3 omega    2.00   46.00   1.0000   62.5000
omega____ theta____ kappa____ phi______ frames
    -       15.2805   57.0000 -150.0000 44

#__ type_ start__ end____ width___ exp.time_
  4 omega  -50.00   27.00   1.0000   62.5000
omega____ theta____ kappa____ phi______ frames
    -       15.2805  -57.0000    0.0000 77

#__ type_ start__ end____ width___ exp.time_
  5 omega  -46.00   14.00   1.0000   62.5000
omega____ theta____ kappa____ phi______ frames
    -       15.2805  -37.0000   90.0000 60

#__ type_ start__ end____ width___ exp.time_
  6 omega  -47.00   42.00   1.0000   62.5000
omega____ theta____ kappa____ phi______ frames
    -       15.2805  -77.0000 -120.0000 89
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0430268000
_diffrn_orient_matrix_UB_12      -0.0432069000
_diffrn_orient_matrix_UB_13      -0.0314606000
_diffrn_orient_matrix_UB_21      0.0612131000
_diffrn_orient_matrix_UB_22      -0.0007134000
_diffrn_orient_matrix_UB_23      0.0116639000
_diffrn_orient_matrix_UB_31      -0.0134118000
_diffrn_orient_matrix_UB_32      -0.0324969000
_diffrn_orient_matrix_UB_33      0.0378427000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                7478
_reflns_number_total             8908
_reflns_odcompleteness_completeness 99.97
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
SHELXL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    
;
SHELXS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_refine_diff_density_max         1.566
_refine_diff_density_min         -0.984
_refine_diff_density_rms         0.128
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     471
_refine_ls_number_reflns         8908
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0384
_refine_ls_R_factor_gt           0.0271
_refine_ls_restrained_S_all      1.024
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0224P)²+2.1876P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0550
_refine_ls_wR_factor_ref         0.0588
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  H27 of C27, H34 of C34, H33 of C33, H28 of C28, H10 of C10, H26 of C26, H14
  of C14, H30 of C30, H2 of C2, H32 of C32, H35 of C35, H3 of C3, H29 of C29,
  H17 of C17, H23 of C23, H36 of C36, H13 of C13, H16 of C16, H7 of C7, H11 of
  C11, H15 of C15, H8 of C8, H9 of C9, H21 of C21, H4 of C4, H22 of C22
 At 1.5 times of:
  {H18A,H18B,H18C} of C18, {H20A,H20B,H20C} of C20
2.a Aromatic/amide H refined with riding coordinates:
 C17(H17), C23(H23), C36(H36), C13(H13), C16(H16), C7(H7), C11(H11), C15(H15),
 C8(H8), C9(H9), C21(H21), C4(H4), C22(H22), C30(H30), C2(H2), C32(H32),
 C35(H35), C3(H3), C29(H29), C14(H14), C26(H26), C10(H10), C28(H28), C33(H33),
 C34(H34), C27(H27)
2.b Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C), C18(H18A,H18B,H18C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.758452(16) 0.585332(12) 0.587750(11) 0.02151(5) Uani 1 1 d . . .
Au2 Au 0.594728(16) 0.557756(13) 0.812826(11) 0.02487(5) Uani 1 1 d . . .
Cu1 Cu 0.72570(5) 0.70405(4) 0.74453(3) 0.02074(10) Uani 1 1 d . . .
P2 P 0.75997(11) 0.52645(8) 0.88827(7) 0.0220(2) Uani 1 1 d . . .
P1 P 0.62327(11) 0.74035(8) 0.55777(7) 0.0223(2) Uani 1 1 d . . .
Cl1 Cl 0.89916(12) 0.42387(8) 0.61083(8) 0.0305(2) Uani 1 1 d . . .
Cl2 Cl 0.42305(12) 0.58390(11) 0.73883(8) 0.0400(3) Uani 1 1 d . . .
P3 P 0.83037(14) 0.96105(10) 0.81656(9) 0.0350(3) Uani 1 1 d . . .
N2 N 0.9124(3) 0.6121(3) 0.7481(2) 0.0190(7) Uani 1 1 d . . .
N1 N 0.5437(3) 0.8055(3) 0.7429(2) 0.0220(7) Uani 1 1 d . . .
C17 C 0.4734(5) 0.8175(4) 0.4241(3) 0.0351(11) Uani 1 1 d . . .
H17 H 0.5062 0.8728 0.4196 0.042 Uiso 1 1 calc R . .
C24 C 0.9281(4) 0.5318(3) 0.8058(3) 0.0206(8) Uani 1 1 d . . .
C25 C 0.8067(4) 0.4010(3) 0.9362(3) 0.0249(9) Uani 1 1 d . . .
C6 C 0.7281(4) 0.8170(3) 0.4993(3) 0.0254(9) Uani 1 1 d . . .
F4 F 0.8644(4) 0.8455(2) 0.8443(2) 0.0668(10) Uani 1 1 d . . .
C12 C 0.5150(4) 0.7378(3) 0.4831(3) 0.0276(9) Uani 1 1 d . . .
C23 C 1.0590(4) 0.4596(3) 0.8032(3) 0.0252(9) Uani 1 1 d . . .
H23 H 1.0664 0.4055 0.8460 0.030 Uiso 1 1 calc R . .
C36 C 0.7975(5) 0.6720(3) 0.9887(3) 0.0277(9) Uani 1 1 d . . .
H36 H 0.8879 0.6588 0.9419 0.033 Uiso 1 1 calc R . .
C20 C 1.0129(5) 0.7088(3) 0.6218(3) 0.0291(10) Uani 1 1 d . . .
H20A H 0.9959 0.6915 0.5643 0.044 Uiso 1 1 calc R . .
H20B H 1.0997 0.7260 0.6038 0.044 Uiso 1 1 calc R . .
H20C H 0.9309 0.7674 0.6563 0.044 Uiso 1 1 calc R . .
C31 C 0.7124(5) 0.6169(3) 0.9851(3) 0.0258(9) Uani 1 1 d . . .
C5 C 0.4570(4) 0.8634(3) 0.8230(3) 0.0259(9) Uani 1 1 d . . .
C19 C 1.0314(4) 0.6201(3) 0.6843(3) 0.0214(8) Uani 1 1 d . . .
F2 F 0.9364(4) 0.9736(3) 0.8687(3) 0.0753(11) Uani 1 1 d . . .
F1 F 0.8014(4) 1.0756(2) 0.7823(3) 0.0659(10) Uani 1 1 d . . .
F3 F 0.7051(5) 0.9969(3) 0.9079(3) 0.0900(13) Uani 1 1 d . . .
F6 F 0.9643(5) 0.9239(3) 0.7217(3) 0.0959(15) Uani 1 1 d . . .
F5 F 0.7322(5) 0.9473(3) 0.7587(3) 0.0849(13) Uani 1 1 d . . .
C13 C 0.4701(5) 0.6556(4) 0.4872(3) 0.0317(10) Uani 1 1 d . . .
H13 H 0.5003 0.6004 0.5261 0.038 Uiso 1 1 calc R . .
C16 C 0.3832(5) 0.8157(4) 0.3716(3) 0.0447(13) Uani 1 1 d . . .
H16 H 0.3546 0.8697 0.3311 0.054 Uiso 1 1 calc R . .
C7 C 0.8201(5) 0.7864(4) 0.4066(3) 0.0333(10) Uani 1 1 d . . .
H7 H 0.8170 0.7323 0.3732 0.040 Uiso 1 1 calc R . .
C11 C 0.7362(5) 0.8959(3) 0.5465(3) 0.0314(10) Uani 1 1 d . . .
H11 H 0.6747 0.9177 0.6094 0.038 Uiso 1 1 calc R . .
C15 C 0.3363(5) 0.7349(5) 0.3790(3) 0.0422(13) Uani 1 1 d . . .
H15 H 0.2720 0.7349 0.3454 0.051 Uiso 1 1 calc R . .
C8 C 0.9153(5) 0.8351(4) 0.3639(4) 0.0439(13) Uani 1 1 d . . .
H8 H 0.9764 0.8148 0.3007 0.053 Uiso 1 1 calc R . .
C9 C 0.9228(5) 0.9125(4) 0.4116(4) 0.0429(13) Uani 1 1 d . . .
H9 H 0.9895 0.9448 0.3820 0.051 Uiso 1 1 calc R . .
C1 C 0.4965(4) 0.8171(3) 0.6650(3) 0.0238(9) Uani 1 1 d . . .
C21 C 1.1655(4) 0.5477(4) 0.6768(3) 0.0280(10) Uani 1 1 d . . .
H21 H 1.2477 0.5534 0.6303 0.034 Uiso 1 1 calc R . .
C4 C 0.3208(5) 0.9318(3) 0.8261(3) 0.0330(10) Uani 1 1 d . . .
H4 H 0.2608 0.9717 0.8829 0.040 Uiso 1 1 calc R . .
C22 C 1.1801(4) 0.4676(4) 0.7366(3) 0.0305(10) Uani 1 1 d . . .
H22 H 1.2721 0.4182 0.7323 0.037 Uiso 1 1 calc R . .
C30 C 0.8241(5) 0.3839(4) 1.0264(3) 0.0336(10) Uani 1 1 d . . .
H30 H 0.8096 0.4396 1.0660 0.040 Uiso 1 1 calc R . .
C2 C 0.3627(5) 0.8832(4) 0.6664(3) 0.0346(11) Uani 1 1 d . . .
H2 H 0.3317 0.8886 0.6113 0.042 Uiso 1 1 calc R . .
C32 C 0.5803(5) 0.6371(4) 1.0549(3) 0.0378(11) Uani 1 1 d . . .
H32 H 0.5205 0.6007 1.0528 0.045 Uiso 1 1 calc R . .
C35 C 0.7506(5) 0.7460(4) 1.0603(3) 0.0361(11) Uani 1 1 d . . .
H35 H 0.8083 0.7841 1.0625 0.043 Uiso 1 1 calc R . .
C3 C 0.2729(5) 0.9418(4) 0.7481(3) 0.0413(12) Uani 1 1 d . . .
H3 H 0.1799 0.9881 0.7500 0.050 Uiso 1 1 calc R . .
C29 C 0.8626(6) 0.2856(4) 1.0588(4) 0.0425(12) Uani 1 1 d . . .
H29 H 0.8743 0.2742 1.1206 0.051 Uiso 1 1 calc R . .
C14 C 0.3816(5) 0.6540(4) 0.4346(3) 0.0394(12) Uani 1 1 d . . .
H14 H 0.3519 0.5974 0.4367 0.047 Uiso 1 1 calc R . .
C26 C 0.8263(5) 0.3194(4) 0.8793(3) 0.0371(11) Uani 1 1 d . . .
H26 H 0.8129 0.3306 0.8180 0.045 Uiso 1 1 calc R . .
C10 C 0.8331(5) 0.9429(4) 0.5025(4) 0.0399(12) Uani 1 1 d . . .
H10 H 0.8376 0.9967 0.5354 0.048 Uiso 1 1 calc R . .
C18 C 0.5074(5) 0.8487(4) 0.9090(3) 0.0402(12) Uani 1 1 d . . .
H18A H 0.4712 0.8004 0.9500 0.060 Uiso 1 1 calc R . .
H18B H 0.4718 0.9142 0.9442 0.060 Uiso 1 1 calc R . .
H18C H 0.6124 0.8218 0.8894 0.060 Uiso 1 1 calc R . .
C28 C 0.8838(6) 0.2050(4) 1.0018(4) 0.0454(13) Uani 1 1 d . . .
H28 H 0.9112 0.1378 1.0239 0.054 Uiso 1 1 calc R . .
C33 C 0.5365(6) 0.7097(4) 1.1268(3) 0.0475(14) Uani 1 1 d . . .
H33 H 0.4479 0.7216 1.1752 0.057 Uiso 1 1 calc R . .
C34 C 0.6197(6) 0.7645(4) 1.1287(3) 0.0449(13) Uani 1 1 d . . .
H34 H 0.5873 0.8159 1.1775 0.054 Uiso 1 1 calc R . .
C27 C 0.8653(6) 0.2215(4) 0.9120(4) 0.0501(14) Uani 1 1 d . . .
H27 H 0.8795 0.1656 0.8728 0.060 Uiso 1 1 calc R . .


_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 Au2 3.3079(2) . ?
Au1 Cu1 2.8087(5) . ?
Au1 P1 2.2318(11) . ?
Au1 Cl1 2.2884(11) . ?
Au2 Cu1 2.8374(5) . ?
Au2 P2 2.2306(10) . ?
Au2 Cl2 2.2838(11) . ?
Cu1 N2 1.933(3) . ?
Cu1 N1 1.933(3) . ?
P2 C24 1.837(4) . ?
P2 C25 1.808(4) . ?
P2 C31 1.808(4) . ?
P1 C6 1.807(4) . ?
P1 C12 1.813(4) . ?
P1 C1 1.833(4) . ?
P3 F4 1.587(3) . ?
P3 F2 1.592(3) . ?
P3 F1 1.604(3) . ?
P3 F3 1.529(4) . ?
P3 F6 1.607(4) . ?
P3 F5 1.588(3) . ?
N2 C24 1.358(5) . ?
N2 C19 1.352(5) . ?
N1 C5 1.354(5) . ?
N1 C1 1.359(5) . ?
C17 H17 0.9500 . ?
C17 C12 1.395(6) . ?
C17 C16 1.399(6) . ?
C24 C23 1.373(6) . ?
C25 C30 1.387(6) . ?
C25 C26 1.388(6) . ?
C6 C7 1.401(6) . ?
C6 C11 1.391(6) . ?
C12 C13 1.390(6) . ?
C23 H23 0.9500 . ?
C23 C22 1.385(6) . ?
C36 H36 0.9500 . ?
C36 C31 1.390(6) . ?
C36 C35 1.382(6) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C20 C19 1.489(6) . ?
C31 C32 1.397(6) . ?
C5 C4 1.394(6) . ?
C5 C18 1.490(6) . ?
C19 C21 1.384(6) . ?
C13 H13 0.9500 . ?
C13 C14 1.383(6) . ?
C16 H16 0.9500 . ?
C16 C15 1.379(8) . ?
C7 H7 0.9500 . ?
C7 C8 1.385(7) . ?
C11 H11 0.9500 . ?
C11 C10 1.384(6) . ?
C15 H15 0.9500 . ?
C15 C14 1.382(7) . ?
C8 H8 0.9500 . ?
C8 C9 1.374(8) . ?
C9 H9 0.9500 . ?
C9 C10 1.373(7) . ?
C1 C2 1.370(6) . ?
C21 H21 0.9500 . ?
C21 C22 1.376(6) . ?
C4 H4 0.9500 . ?
C4 C3 1.367(7) . ?
C22 H22 0.9500 . ?
C30 H30 0.9500 . ?
C30 C29 1.388(7) . ?
C2 H2 0.9500 . ?
C2 C3 1.381(6) . ?
C32 H32 0.9500 . ?
C32 C33 1.376(7) . ?
C35 H35 0.9500 . ?
C35 C34 1.381(7) . ?
C3 H3 0.9500 . ?
C29 H29 0.9500 . ?
C29 C28 1.372(7) . ?
C14 H14 0.9500 . ?
C26 H26 0.9500 . ?
C26 C27 1.384(7) . ?
C10 H10 0.9500 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C28 H28 0.9500 . ?
C28 C27 1.386(7) . ?
C33 H33 0.9500 . ?
C33 C34 1.365(7) . ?
C34 H34 0.9500 . ?
C27 H27 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cu1 Au1 Au2 54.540(10) . . ?
P1 Au1 Au2 103.38(3) . . ?
P1 Au1 Cu1 77.61(3) . . ?
P1 Au1 Cl1 177.15(4) . . ?
Cl1 Au1 Au2 78.97(3) . . ?
Cl1 Au1 Cu1 105.16(3) . . ?
Cu1 Au2 Au1 53.733(10) . . ?
P2 Au2 Au1 105.27(3) . . ?
P2 Au2 Cu1 75.88(3) . . ?
P2 Au2 Cl2 177.47(4) . . ?
Cl2 Au2 Au1 76.45(3) . . ?
Cl2 Au2 Cu1 106.65(3) . . ?
Au1 Cu1 Au2 71.728(13) . . ?
N2 Cu1 Au1 87.75(9) . . ?
N2 Cu1 Au2 93.17(9) . . ?
N2 Cu1 N1 175.11(14) . . ?
N1 Cu1 Au1 95.87(10) . . ?
N1 Cu1 Au2 91.10(10) . . ?
C24 P2 Au2 110.52(12) . . ?
C25 P2 Au2 113.49(14) . . ?
C25 P2 C24 105.48(19) . . ?
C31 P2 Au2 114.47(15) . . ?
C31 P2 C24 105.29(19) . . ?
C31 P2 C25 106.90(19) . . ?
C6 P1 Au1 112.59(13) . . ?
C6 P1 C12 106.8(2) . . ?
C6 P1 C1 104.31(19) . . ?
C12 P1 Au1 113.26(15) . . ?
C12 P1 C1 105.34(19) . . ?
C1 P1 Au1 113.83(14) . . ?
F4 P3 F2 91.5(2) . . ?
F4 P3 F1 176.7(2) . . ?
F4 P3 F6 88.7(2) . . ?
F4 P3 F5 88.9(2) . . ?
F2 P3 F1 89.39(18) . . ?
F2 P3 F6 88.1(2) . . ?
F1 P3 F6 88.2(2) . . ?
F3 P3 F4 91.4(2) . . ?
F3 P3 F2 90.6(2) . . ?
F3 P3 F1 91.7(2) . . ?
F3 P3 F6 178.7(3) . . ?
F3 P3 F5 92.8(2) . . ?
F5 P3 F2 176.6(2) . . ?
F5 P3 F1 90.0(2) . . ?
F5 P3 F6 88.5(2) . . ?
C24 N2 Cu1 121.8(3) . . ?
C19 N2 Cu1 119.6(3) . . ?
C19 N2 C24 118.2(3) . . ?
C5 N1 Cu1 119.3(3) . . ?
C5 N1 C1 118.6(3) . . ?
C1 N1 Cu1 121.9(3) . . ?
C12 C17 H17 120.1 . . ?
C12 C17 C16 119.9(5) . . ?
C16 C17 H17 120.1 . . ?
N2 C24 P2 114.8(3) . . ?
N2 C24 C23 123.1(4) . . ?
C23 C24 P2 122.1(3) . . ?
C30 C25 P2 122.7(3) . . ?
C30 C25 C26 119.5(4) . . ?
C26 C25 P2 117.8(3) . . ?
C7 C6 P1 118.1(3) . . ?
C11 C6 P1 122.8(3) . . ?
C11 C6 C7 118.6(4) . . ?
C17 C12 P1 121.4(4) . . ?
C13 C12 P1 118.8(3) . . ?
C13 C12 C17 119.8(4) . . ?
C24 C23 H23 120.9 . . ?
C24 C23 C22 118.3(4) . . ?
C22 C23 H23 120.9 . . ?
C31 C36 H36 120.0 . . ?
C35 C36 H36 120.0 . . ?
C35 C36 C31 120.0(4) . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
C36 C31 P2 122.4(3) . . ?
C36 C31 C32 119.1(4) . . ?
C32 C31 P2 118.3(3) . . ?
N1 C5 C4 120.7(4) . . ?
N1 C5 C18 118.5(4) . . ?
C4 C5 C18 120.7(4) . . ?
N2 C19 C20 117.7(4) . . ?
N2 C19 C21 121.0(4) . . ?
C21 C19 C20 121.2(4) . . ?
C12 C13 H13 120.0 . . ?
C14 C13 C12 120.0(4) . . ?
C14 C13 H13 120.0 . . ?
C17 C16 H16 120.3 . . ?
C15 C16 C17 119.3(5) . . ?
C15 C16 H16 120.3 . . ?
C6 C7 H7 120.1 . . ?
C8 C7 C6 119.9(4) . . ?
C8 C7 H7 120.1 . . ?
C6 C11 H11 119.8 . . ?
C10 C11 C6 120.5(4) . . ?
C10 C11 H11 119.8 . . ?
C16 C15 H15 119.5 . . ?
C16 C15 C14 121.0(4) . . ?
C14 C15 H15 119.5 . . ?
C7 C8 H8 119.5 . . ?
C9 C8 C7 120.9(5) . . ?
C9 C8 H8 119.5 . . ?
C8 C9 H9 120.2 . . ?
C10 C9 C8 119.5(5) . . ?
C10 C9 H9 120.2 . . ?
N1 C1 P1 116.0(3) . . ?
N1 C1 C2 121.9(4) . . ?
C2 C1 P1 122.1(3) . . ?
C19 C21 H21 119.9 . . ?
C22 C21 C19 120.1(4) . . ?
C22 C21 H21 119.9 . . ?
C5 C4 H4 119.8 . . ?
C3 C4 C5 120.4(4) . . ?
C3 C4 H4 119.8 . . ?
C23 C22 H22 120.4 . . ?
C21 C22 C23 119.3(4) . . ?
C21 C22 H22 120.4 . . ?
C25 C30 H30 119.9 . . ?
C25 C30 C29 120.2(5) . . ?
C29 C30 H30 119.9 . . ?
C1 C2 H2 120.1 . . ?
C1 C2 C3 119.9(4) . . ?
C3 C2 H2 120.1 . . ?
C31 C32 H32 119.9 . . ?
C33 C32 C31 120.2(4) . . ?
C33 C32 H32 119.9 . . ?
C36 C35 H35 120.0 . . ?
C34 C35 C36 119.9(4) . . ?
C34 C35 H35 120.0 . . ?
C4 C3 C2 118.5(4) . . ?
C4 C3 H3 120.8 . . ?
C2 C3 H3 120.8 . . ?
C30 C29 H29 120.0 . . ?
C28 C29 C30 120.1(5) . . ?
C28 C29 H29 120.0 . . ?
C13 C14 H14 120.0 . . ?
C15 C14 C13 120.0(5) . . ?
C15 C14 H14 120.0 . . ?
C25 C26 H26 120.0 . . ?
C27 C26 C25 119.9(5) . . ?
C27 C26 H26 120.0 . . ?
C11 C10 H10 119.7 . . ?
C9 C10 C11 120.7(5) . . ?
C9 C10 H10 119.7 . . ?
C5 C18 H18A 109.5 . . ?
C5 C18 H18B 109.5 . . ?
C5 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C29 C28 H28 120.0 . . ?
C29 C28 C27 120.1(5) . . ?
C27 C28 H28 120.0 . . ?
C32 C33 H33 119.9 . . ?
C34 C33 C32 120.3(5) . . ?
C34 C33 H33 119.9 . . ?
C35 C34 H34 119.7 . . ?
C33 C34 C35 120.5(5) . . ?
C33 C34 H34 119.7 . . ?
C26 C27 C28 120.2(5) . . ?
C26 C27 H27 119.9 . . ?
C28 C27 H27 119.9 . . ?

_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: dichloromethane / diethyl ether'
_exptl_crystal_preparation       ', Luminescent'
####################################################################### 
# 
# 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_I
_database_code_depnum_ccdc_archive 'CCDC 1524169'
_audit_update_record             
;
2016-12-22 deposited with the CCDC.
2017-02-09 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C18 H16 Au Cl N P'
_chemical_formula_sum            'C18 H16 Au Cl N P'
_chemical_formula_iupac          ?
_chemical_formula_weight         509.70
_chemical_absolute_configuration ?

_chemical_melting_point          ?

_space_group_crystal_system      orthorhombic
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'

_cell_length_a                   11.438(3)
_cell_length_b                   12.047(3)
_cell_length_c                   12.858(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1771.7(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3090
_cell_measurement_theta_min      2.3832
_cell_measurement_theta_max      22.6973
_cell_measurement_temperature    300.(2)

_exptl_crystal_description       needle
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.150
_exptl_crystal_density_diffrn    1.911
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             968

_exptl_absorpt_coefficient_mu    8.540
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.11
_exptl_absorpt_correction_T_max  0.36

_exptl_special_details           
;
;

_diffrn_ambient_temperature      300.(2)

_diffrn_source                   ?
_diffrn_source_type              ?

_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source         'sealed MicroFocus tube'
_diffrn_radiation_monochromator  'doubly curved silicon crystal'

_diffrn_measurement_device_type  'SMART X2S'
_diffrn_measurement_method       omega-scan

_diffrn_detector_area_resol_mean 8.3330

_diffrn_reflns_number            9414
_diffrn_reflns_av_R_equivalents  0.0872
_diffrn_reflns_av_sigmaI/netI    0.0788
_diffrn_reflns_theta_min         2.32
_diffrn_reflns_theta_max         23.18
_diffrn_reflns_theta_full        23.18
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       12

_refine_special_details          
;
Refinement of F² against ALL reflections.  The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_reflns_number_total             2519
_reflns_number_gt                2153
_reflns_threshold_expression     >2sigma(I)

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0478
_refine_ls_R_factor_gt           0.0365
_refine_ls_wR_factor_gt          0.0750
_refine_ls_wR_factor_ref         0.0800
_refine_ls_goodness_of_fit_ref   0.933
_refine_ls_restrained_S_all      0.933
_refine_ls_number_reflns         2519
_refine_ls_number_parameters     200
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap

_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.753
_refine_diff_density_min         -0.594
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.028(15)

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'

_computing_data_collection       ?
_computing_cell_refinement       'SAINT V8.27B (Bruker AXS Inc., 2012)'
_computing_data_reduction        'SAINT V8.27B (Bruker AXS Inc., 2012)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au Au1 1.14431(3) 0.92644(3) 0.25856(3) 0.05107(15) Uani d . 1 . .
Cl Cl1 1.3251(3) 0.9855(3) 0.3093(2) 0.0661(8) Uani d . 1 . .
P P1 0.9678(2) 0.8667(2) 0.2087(2) 0.0484(7) Uani d . 1 . .
C C1 0.8996(9) 0.7792(9) 0.3062(8) 0.045(3) Uani d . 1 . .
N N1 0.7804(8) 0.7758(7) 0.3024(7) 0.057(2) Uani d . 1 . .
C C5 0.7269(11) 0.7099(11) 0.3733(9) 0.062(3) Uani d . 1 . .
C C6 0.5983(13) 0.7092(13) 0.3673(11) 0.105(5) Uani d . 1 . .
H H3 0.5706 0.7833 0.3551 0.158 Uiso calc R 1 . .
H H1 0.5667 0.6821 0.4316 0.158 Uiso calc R 1 . .
H H2 0.5739 0.6619 0.3113 0.158 Uiso calc R 1 . .
C C4 0.7862(13) 0.6490(10) 0.4472(10) 0.070(4) Uani d . 1 . .
H H4 0.7463 0.6066 0.4962 0.084 Uiso calc R 1 . .
C C3 0.9070(14) 0.6533(11) 0.4460(10) 0.073(4) Uani d . 1 . .
H H5 0.9499 0.6118 0.4936 0.087 Uiso calc R 1 . .
C C2 0.9628(10) 0.7181(9) 0.3753(9) 0.054(3) Uani d . 1 . .
H H6 1.044 0.7208 0.3741 0.064 Uiso calc R 1 . .
C C7 0.8629(9) 0.9788(8) 0.1910(9) 0.051(3) Uani d . 1 . .
C C12 0.8420(10) 1.0465(9) 0.2749(10) 0.073(3) Uani d . 1 . .
H H12 0.8818 1.0344 0.337 0.087 Uiso calc R 1 . .
C C11 0.7624(10) 1.1322(10) 0.2678(13) 0.083(4) Uani d . 1 . .
H H11 0.7471 1.1773 0.3249 0.1 Uiso calc R 1 . .
C C10 0.7068(12) 1.1495(12) 0.1760(15) 0.098(6) Uani d . 1 . .
H H10 0.6538 1.2078 0.171 0.117 Uiso calc R 1 . .
C C9 0.7252(12) 1.0858(11) 0.0923(14) 0.098(5) Uani d . 1 . .
H H9 0.6855 1.0994 0.0305 0.117 Uiso calc R 1 . .
C C8 0.8075(11) 0.9958(9) 0.0998(11) 0.073(4) Uani d . 1 . .
H H8 0.8222 0.9504 0.0428 0.087 Uiso calc R 1 . .
C C13 0.9722(9) 0.7845(9) 0.0932(9) 0.050(3) Uani d . 1 . .
C C18 0.8968(11) 0.6988(11) 0.0730(10) 0.068(4) Uani d . 1 . .
H H17 0.8389 0.6816 0.1211 0.082 Uiso calc R 1 . .
C C17 0.9055(11) 0.6383(11) -0.0166(10) 0.074(4) Uani d . 1 . .
H H16 0.8542 0.5796 -0.0276 0.089 Uiso calc R 1 . .
C C16 0.9876(12) 0.6619(11) -0.0900(11) 0.082(4) Uani d . 1 . .
H H13 0.9913 0.6207 -0.1511 0.099 Uiso calc R 1 . .
C C15 1.0646(14) 0.7469(14) -0.0728(11) 0.103(6) Uani d . 1 . .
H H15 1.1215 0.7638 -0.122 0.124 Uiso calc R 1 . .
C C14 1.0571(12) 0.8071(12) 0.0179(10) 0.082(4) Uani d . 1 . .
H H14 1.1101 0.8644 0.0294 0.099 Uiso calc R 1 . .


_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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Au1 P1 . 2.237(3) ?
Au1 Cl1 . 2.282(3) ?
P1 C13 . 1.785(12) ?
P1 C1 . 1.814(10) ?
P1 C7 . 1.822(11) ?
C1 C2 . 1.362(14) ?
C1 N1 . 1.365(12) ?
N1 C5 . 1.355(14) ?
C5 C4 . 1.379(16) ?
C5 C6 . 1.473(17) ?
C6 H3 . 0.96 ?
C6 H1 . 0.96 ?
C6 H2 . 0.96 ?
C4 C3 . 1.383(17) ?
C4 H4 . 0.93 ?
C3 C2 . 1.358(16) ?
C3 H5 . 0.93 ?
C2 H6 . 0.93 ?
C7 C8 . 1.349(15) ?
C7 C12 . 1.373(15) ?
C12 C11 . 1.381(15) ?
C12 H12 . 0.93 ?
C11 C10 . 1.357(19) ?
C11 H11 . 0.93 ?
C10 C9 . 1.34(2) ?
C10 H10 . 0.93 ?
C9 C8 . 1.438(16) ?
C9 H9 . 0.93 ?
C8 H8 . 0.93 ?
C13 C18 . 1.369(15) ?
C13 C14 . 1.399(16) ?
C18 C17 . 1.367(16) ?
C18 H17 . 0.93 ?
C17 C16 . 1.361(17) ?
C17 H16 . 0.93 ?
C16 C15 . 1.369(17) ?
C16 H13 . 0.93 ?
C15 C14 . 1.376(17) ?
C15 H15 . 0.93 ?
C14 H14 . 0.93 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
P1 Au1 Cl1 . . 179.37(11) ?
C13 P1 C1 . . 105.4(5) ?
C13 P1 C7 . . 109.0(5) ?
C1 P1 C7 . . 103.5(5) ?
C13 P1 Au1 . . 113.1(4) ?
C1 P1 Au1 . . 112.2(4) ?
C7 P1 Au1 . . 113.1(3) ?
C2 C1 N1 . . 122.5(10) ?
C2 C1 P1 . . 122.5(8) ?
N1 C1 P1 . . 115.0(8) ?
C5 N1 C1 . . 116.4(10) ?
N1 C5 C4 . . 123.6(12) ?
N1 C5 C6 . . 114.8(12) ?
C4 C5 C6 . . 121.6(13) ?
C5 C6 H3 . . 109.5 ?
C5 C6 H1 . . 109.5 ?
H3 C6 H1 . . 109.5 ?
C5 C6 H2 . . 109.5 ?
H3 C6 H2 . . 109.5 ?
H1 C6 H2 . . 109.5 ?
C5 C4 C3 . . 117.6(13) ?
C5 C4 H4 . . 121.2 ?
C3 C4 H4 . . 121.2 ?
C2 C3 C4 . . 119.9(13) ?
C2 C3 H5 . . 120.0 ?
C4 C3 H5 . . 120.0 ?
C3 C2 C1 . . 119.9(11) ?
C3 C2 H6 . . 120.0 ?
C1 C2 H6 . . 120.0 ?
C8 C7 C12 . . 120.8(11) ?
C8 C7 P1 . . 122.1(10) ?
C12 C7 P1 . . 117.2(9) ?
C7 C12 C11 . . 120.5(13) ?
C7 C12 H12 . . 119.8 ?
C11 C12 H12 . . 119.8 ?
C10 C11 C12 . . 118.8(15) ?
C10 C11 H11 . . 120.6 ?
C12 C11 H11 . . 120.6 ?
C9 C10 C11 . . 122.5(14) ?
C9 C10 H10 . . 118.7 ?
C11 C10 H10 . . 118.7 ?
C10 C9 C8 . . 118.8(13) ?
C10 C9 H9 . . 120.6 ?
C8 C9 H9 . . 120.6 ?
C7 C8 C9 . . 118.7(13) ?
C7 C8 H8 . . 120.7 ?
C9 C8 H8 . . 120.7 ?
C18 C13 C14 . . 116.9(12) ?
C18 C13 P1 . . 123.9(9) ?
C14 C13 P1 . . 119.2(10) ?
C17 C18 C13 . . 121.1(12) ?
C17 C18 H17 . . 119.5 ?
C13 C18 H17 . . 119.5 ?
C16 C17 C18 . . 121.5(12) ?
C16 C17 H16 . . 119.2 ?
C18 C17 H16 . . 119.2 ?
C17 C16 C15 . . 119.2(13) ?
C17 C16 H13 . . 120.4 ?
C15 C16 H13 . . 120.4 ?
C16 C15 C14 . . 119.4(13) ?
C16 C15 H15 . . 120.3 ?
C14 C15 H15 . . 120.3 ?
C15 C14 C13 . . 121.9(13) ?
C15 C14 H14 . . 119.1 ?
C13 C14 H14 . . 119.1 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
Cl1 Au1 P1 C13 . . . . -51.(11) ?
Cl1 Au1 P1 C1 . . . . 68.(11) ?
Cl1 Au1 P1 C7 . . . . -180.(100) ?
C13 P1 C1 C2 . . . . 96.1(11) ?
C7 P1 C1 C2 . . . . -149.5(10) ?
Au1 P1 C1 C2 . . . . -27.3(11) ?
C13 P1 C1 N1 . . . . -81.4(8) ?
C7 P1 C1 N1 . . . . 33.0(9) ?
Au1 P1 C1 N1 . . . . 155.2(7) ?
C2 C1 N1 C5 . . . . 1.5(17) ?
P1 C1 N1 C5 . . . . 179.1(8) ?
C1 N1 C5 C4 . . . . 0.6(17) ?
C1 N1 C5 C6 . . . . 179.5(11) ?
N1 C5 C4 C3 . . . . -2.(2) ?
C6 C5 C4 C3 . . . . 179.0(13) ?
C5 C4 C3 C2 . . . . 2.(2) ?
C4 C3 C2 C1 . . . . 0.(2) ?
N1 C1 C2 C3 . . . . -2.0(19) ?
P1 C1 C2 C3 . . . . -179.4(9) ?
C13 P1 C7 C8 . . . . -4.4(11) ?
C1 P1 C7 C8 . . . . -116.2(10) ?
Au1 P1 C7 C8 . . . . 122.2(9) ?
C13 P1 C7 C12 . . . . 175.7(9) ?
C1 P1 C7 C12 . . . . 64.0(10) ?
Au1 P1 C7 C12 . . . . -57.6(9) ?
C8 C7 C12 C11 . . . . 1.1(18) ?
P1 C7 C12 C11 . . . . -179.1(8) ?
C7 C12 C11 C10 . . . . -1.1(19) ?
C12 C11 C10 C9 . . . . 1.(2) ?
C11 C10 C9 C8 . . . . 0.(2) ?
C12 C7 C8 C9 . . . . -0.6(18) ?
P1 C7 C8 C9 . . . . 179.6(9) ?
C10 C9 C8 C7 . . . . 0.(2) ?
C1 P1 C13 C18 . . . . 25.0(11) ?
C7 P1 C13 C18 . . . . -85.6(11) ?
Au1 P1 C13 C18 . . . . 147.8(9) ?
C1 P1 C13 C14 . . . . -154.7(10) ?
C7 P1 C13 C14 . . . . 94.8(11) ?
Au1 P1 C13 C14 . . . . -31.9(11) ?
C14 C13 C18 C17 . . . . 0.3(19) ?
P1 C13 C18 C17 . . . . -179.3(10) ?
C13 C18 C17 C16 . . . . -1.(2) ?
C18 C17 C16 C15 . . . . 1.(2) ?
C17 C16 C15 C14 . . . . 0.(2) ?
C16 C15 C14 C13 . . . . -1.(2) ?
C18 C13 C14 C15 . . . . 1.(2) ?
P1 C13 C14 C15 . . . . -179.8(12) ?

_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: dichloromethane / diethyl ether'
