# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_450PGS15
_database_code_depnum_ccdc_archive 'CCDC 1442893'
_audit_update_record             
;
2015-12-16 deposited with the CCDC.
2016-05-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        
'cis-(4-benzoylphenyl)dichlorotriphenylphosphine gold(III)'
_chemical_name_common            ?
_chemical_melting_point          183
_chemical_formula_moiety         'C31 H24 Au Cl2 O P'
_chemical_formula_sum            'C31 H24 Au Cl2 O P'
_chemical_formula_weight         711.34

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

_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'
'-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                   13.4335(2)
_cell_length_b                   9.7044(2)
_cell_length_c                   42.1106(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5489.71(17)
_cell_formula_units_Z            8
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    5371
_cell_measurement_theta_min      2.46
_cell_measurement_theta_max      25.98

_exptl_crystal_description       lamina
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.721
_exptl_crystal_F_000             2768
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.259
_exptl_crystal_size_mid          0.242
_exptl_crystal_size_min          0.032
_exptl_absorpt_coefficient_mu    5.635
_shelx_estimated_absorpt_T_min   0.323
_shelx_estimated_absorpt_T_max   0.840
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3231
_exptl_absorpt_correction_T_max  0.8403
_exptl_absorpt_process_details   '(Sheldrick, 2012)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  
'Bruker Smart Apex CCD diffractometer 01-670-01'
_diffrn_measurement_method       ω-scans
_diffrn_detector_area_resol_mean 8.333
_diffrn_reflns_number            30849
_diffrn_reflns_av_unetI/netI     0.0792
_diffrn_reflns_av_R_equivalents  0.1142
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -53
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_theta_min         2.458
_diffrn_reflns_theta_max         27.103
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             6054
_reflns_number_gt                3674
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'APEX2 v2012.10.0(Bruker, 2012)'
_computing_cell_refinement       'APEX2 v2012.10.0(Bruker, 2012)'
_computing_data_reduction        'SAINT V8.27B (Bruker, 2012)'
_computing_structure_solution    'SHELXS-2012 (Bruker, 2013)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'XP V 5.1 (Bruker, 1998)'
_computing_publication_material  'CIFTAB V 2013/2 (Sheldrick, 2013)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0193P)²+8.9112P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6054
_refine_ls_number_parameters     325
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0956
_refine_ls_R_factor_gt           0.0451
_refine_ls_wR_factor_ref         0.0931
_refine_ls_wR_factor_gt          0.0740
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_restrained_S_all      1.019
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.31602(2) 0.39956(3) 0.35285(2) 0.03339(10) Uani 1 1 d . . . . .
Cl1 Cl 0.27698(15) 0.4230(3) 0.29826(5) 0.0581(6) Uani 1 1 d . . . . .
Cl2 Cl 0.15021(14) 0.4354(3) 0.36620(5) 0.0558(6) Uani 1 1 d . . . . .
P1 P 0.48353(14) 0.3742(2) 0.34279(5) 0.0360(5) Uani 1 1 d . . . . .
O1 O 0.3209(5) 0.4628(7) 0.51655(12) 0.0630(17) Uani 1 1 d . . . . .
C1 C 0.3700(6) 0.3793(9) 0.50137(18) 0.044(2) Uani 1 1 d . . . . .
C2 C 0.3622(5) 0.3790(8) 0.46580(17) 0.0383(19) Uani 1 1 d . . . . .
C3 C 0.3572(5) 0.2567(8) 0.44837(18) 0.0405(19) Uani 1 1 d . . . . .
H3 H 0.3608 0.1720 0.4586 0.049 Uiso 1 1 calc R U . . .
C4 C 0.3467(5) 0.2631(8) 0.41581(18) 0.0367(18) Uani 1 1 d . . . . .
H4 H 0.3418 0.1822 0.4041 0.044 Uiso 1 1 calc R U . . .
C5 C 0.3435(5) 0.3886(8) 0.40061(17) 0.0357(17) Uani 1 1 d . . . . .
C6 C 0.3477(5) 0.5092(8) 0.41756(18) 0.0377(19) Uani 1 1 d . . . . .
H6 H 0.3450 0.5936 0.4071 0.045 Uiso 1 1 calc R U . . .
C7 C 0.3561(5) 0.5041(8) 0.45020(17) 0.0378(19) Uani 1 1 d . . . . .
H7 H 0.3577 0.5856 0.4618 0.045 Uiso 1 1 calc R U . . .
C8 C 0.4401(6) 0.2850(8) 0.51789(17) 0.0389(19) Uani 1 1 d . . . . .
C9 C 0.4336(7) 0.2687(9) 0.5506(2) 0.056(2) Uani 1 1 d . . . . .
H9 H 0.3820 0.3114 0.5615 0.067 Uiso 1 1 calc R U . . .
C10 C 0.5009(7) 0.1919(10) 0.5671(2) 0.055(2) Uani 1 1 d . . . . .
H10 H 0.4957 0.1848 0.5890 0.066 Uiso 1 1 calc R U . . .
C11 C 0.5765(7) 0.1250(9) 0.5515(2) 0.061(3) Uani 1 1 d . . . . .
H11 H 0.6218 0.0718 0.5628 0.073 Uiso 1 1 calc R U . . .
C12 C 0.5852(7) 0.1368(9) 0.5191(2) 0.056(2) Uani 1 1 d . . . . .
H12 H 0.6362 0.0916 0.5084 0.067 Uiso 1 1 calc R U . . .
C13 C 0.5174(6) 0.2164(8) 0.50243(19) 0.047(2) Uani 1 1 d . . . . .
H13 H 0.5236 0.2244 0.4805 0.056 Uiso 1 1 calc R U . . .
C14 C 0.5536(5) 0.2896(8) 0.37380(17) 0.0358(18) Uani 1 1 d . . . . .
C15 C 0.5867(6) 0.3609(9) 0.39998(19) 0.049(2) Uani 1 1 d . . . . .
H15 H 0.5732 0.4545 0.4019 0.058 Uiso 1 1 calc R U . . .
C16 C 0.6401(6) 0.2940(12) 0.4235(2) 0.063(3) Uani 1 1 d . . . . .
H16 H 0.6629 0.3435 0.4410 0.075 Uiso 1 1 calc R U . . .
C17 C 0.6596(7) 0.1564(12) 0.4214(3) 0.068(3) Uani 1 1 d . . . . .
H17 H 0.6951 0.1125 0.4374 0.082 Uiso 1 1 calc R U . . .
C18 C 0.6276(6) 0.0841(10) 0.3961(2) 0.059(2) Uani 1 1 d . . . . .
H18 H 0.6412 -0.0097 0.3948 0.071 Uiso 1 1 calc R U . . .
C19 C 0.5735(5) 0.1489(8) 0.3714(2) 0.044(2) Uani 1 1 d . . . . .
H19 H 0.5517 0.0986 0.3539 0.053 Uiso 1 1 calc R U . . .
C20 C 0.5056(6) 0.2727(8) 0.30738(17) 0.0383(19) Uani 1 1 d . . . . .
C21 C 0.4429(6) 0.1688(8) 0.29937(19) 0.048(2) Uani 1 1 d . . . . .
H21 H 0.3848 0.1554 0.3109 0.058 Uiso 1 1 calc R U . . .
C22 C 0.4646(8) 0.0830(9) 0.27426(19) 0.060(3) Uani 1 1 d . . . . .
H22 H 0.4218 0.0105 0.2695 0.072 Uiso 1 1 calc R U . . .
C23 C 0.5468(9) 0.1023(11) 0.2564(2) 0.078(3) Uani 1 1 d . . . . .
H23 H 0.5601 0.0447 0.2392 0.093 Uiso 1 1 calc R U . . .
C24 C 0.6108(8) 0.2089(13) 0.2638(2) 0.078(3) Uani 1 1 d . . . . .
H24 H 0.6682 0.2218 0.2518 0.094 Uiso 1 1 calc R U . . .
C25 C 0.5907(6) 0.2966(10) 0.2889(2) 0.060(3) Uani 1 1 d . . . . .
H25 H 0.6329 0.3700 0.2934 0.072 Uiso 1 1 calc R U . . .
C26 C 0.5381(5) 0.5440(8) 0.33721(18) 0.0403(19) Uani 1 1 d . . . . .
C27 C 0.6387(7) 0.5647(10) 0.3410(2) 0.070(3) Uani 1 1 d . . . . .
H27 H 0.6787 0.4928 0.3481 0.085 Uiso 1 1 calc R U . . .
C28 C 0.6811(8) 0.6919(12) 0.3343(3) 0.095(4) Uani 1 1 d . . . . .
H28 H 0.7484 0.7069 0.3380 0.114 Uiso 1 1 calc R U . . .
C29 C 0.6227(8) 0.7952(11) 0.3222(3) 0.076(3) Uani 1 1 d . . . . .
H29 H 0.6513 0.8784 0.3162 0.092 Uiso 1 1 calc R U . . .
C30 C 0.5235(8) 0.7763(10) 0.3191(2) 0.065(3) Uani 1 1 d . . . . .
H30 H 0.4838 0.8485 0.3120 0.078 Uiso 1 1 calc R U . . .
C31 C 0.4802(6) 0.6507(9) 0.32633(19) 0.050(2) Uani 1 1 d . . . . .
H31 H 0.4120 0.6385 0.3238 0.060 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 C5 2.048(7) . ?
Au1 P1 2.3029(19) . ?
Au1 Cl2 2.3236(19) . ?
Au1 Cl1 2.3690(19) . ?
P1 C14 1.806(7) . ?
P1 C20 1.811(8) . ?
P1 C26 1.819(8) . ?
O1 C1 1.225(9) . ?
C1 C8 1.486(11) . ?
C1 C2 1.502(10) . ?
C2 C7 1.383(10) . ?
C2 C3 1.397(10) . ?
C3 C4 1.380(10) . ?
C3 H3 0.9300 . ?
C4 C5 1.376(10) . ?
C4 H4 0.9300 . ?
C5 C6 1.372(10) . ?
C6 C7 1.380(9) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C9 1.389(10) . ?
C8 C13 1.395(10) . ?
C9 C10 1.361(11) . ?
C9 H9 0.9300 . ?
C10 C11 1.372(12) . ?
C10 H10 0.9300 . ?
C11 C12 1.375(11) . ?
C11 H11 0.9300 . ?
C12 C13 1.384(10) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 C15 1.376(10) . ?
C14 C19 1.396(10) . ?
C15 C16 1.385(11) . ?
C15 H15 0.9300 . ?
C16 C17 1.363(13) . ?
C16 H16 0.9300 . ?
C17 C18 1.347(13) . ?
C17 H17 0.9300 . ?
C18 C19 1.415(11) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 C21 1.356(10) . ?
C20 C25 1.404(11) . ?
C21 C22 1.377(10) . ?
C21 H21 0.9300 . ?
C22 C23 1.351(13) . ?
C22 H22 0.9300 . ?
C23 C24 1.381(14) . ?
C23 H23 0.9300 . ?
C24 C25 1.382(12) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 C31 1.373(10) . ?
C26 C27 1.375(11) . ?
C27 C28 1.387(13) . ?
C27 H27 0.9300 . ?
C28 C29 1.371(14) . ?
C28 H28 0.9300 . ?
C29 C30 1.351(13) . ?
C29 H29 0.9300 . ?
C30 C31 1.384(12) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?

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
C5 Au1 P1 89.93(19) . . ?
C5 Au1 Cl2 86.73(19) . . ?
P1 Au1 Cl2 175.72(7) . . ?
C5 Au1 Cl1 176.5(2) . . ?
P1 Au1 Cl1 92.76(7) . . ?
Cl2 Au1 Cl1 90.47(7) . . ?
C14 P1 C20 105.2(3) . . ?
C14 P1 C26 107.2(4) . . ?
C20 P1 C26 108.7(4) . . ?
C14 P1 Au1 115.1(2) . . ?
C20 P1 Au1 111.7(3) . . ?
C26 P1 Au1 108.7(3) . . ?
O1 C1 C8 120.3(7) . . ?
O1 C1 C2 119.0(7) . . ?
C8 C1 C2 120.7(7) . . ?
C7 C2 C3 119.6(7) . . ?
C7 C2 C1 118.4(7) . . ?
C3 C2 C1 121.9(7) . . ?
C4 C3 C2 119.3(7) . . ?
C4 C3 H3 120.4 . . ?
C2 C3 H3 120.4 . . ?
C5 C4 C3 120.3(7) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
C6 C5 C4 120.8(7) . . ?
C6 C5 Au1 118.3(6) . . ?
C4 C5 Au1 120.6(6) . . ?
C5 C6 C7 119.4(7) . . ?
C5 C6 H6 120.3 . . ?
C7 C6 H6 120.3 . . ?
C6 C7 C2 120.6(7) . . ?
C6 C7 H7 119.7 . . ?
C2 C7 H7 119.7 . . ?
C9 C8 C13 117.1(7) . . ?
C9 C8 C1 119.7(7) . . ?
C13 C8 C1 123.2(7) . . ?
C10 C9 C8 121.7(9) . . ?
C10 C9 H9 119.1 . . ?
C8 C9 H9 119.1 . . ?
C9 C10 C11 120.4(8) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 H10 119.8 . . ?
C10 C11 C12 119.9(8) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 H11 120.1 . . ?
C11 C12 C13 119.6(9) . . ?
C11 C12 H12 120.2 . . ?
C13 C12 H12 120.2 . . ?
C12 C13 C8 121.3(8) . . ?
C12 C13 H13 119.3 . . ?
C8 C13 H13 119.3 . . ?
C15 C14 C19 119.2(7) . . ?
C15 C14 P1 121.3(6) . . ?
C19 C14 P1 119.5(6) . . ?
C14 C15 C16 120.3(9) . . ?
C14 C15 H15 119.8 . . ?
C16 C15 H15 119.8 . . ?
C17 C16 C15 120.8(9) . . ?
C17 C16 H16 119.6 . . ?
C15 C16 H16 119.6 . . ?
C18 C17 C16 120.0(9) . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C17 C18 C19 120.9(9) . . ?
C17 C18 H18 119.5 . . ?
C19 C18 H18 119.5 . . ?
C14 C19 C18 118.7(8) . . ?
C14 C19 H19 120.6 . . ?
C18 C19 H19 120.6 . . ?
C21 C20 C25 119.3(8) . . ?
C21 C20 P1 120.5(6) . . ?
C25 C20 P1 120.1(7) . . ?
C20 C21 C22 120.7(8) . . ?
C20 C21 H21 119.7 . . ?
C22 C21 H21 119.7 . . ?
C23 C22 C21 121.2(10) . . ?
C23 C22 H22 119.4 . . ?
C21 C22 H22 119.4 . . ?
C22 C23 C24 119.1(9) . . ?
C22 C23 H23 120.5 . . ?
C24 C23 H23 120.5 . . ?
C23 C24 C25 120.9(9) . . ?
C23 C24 H24 119.6 . . ?
C25 C24 H24 119.6 . . ?
C24 C25 C20 118.8(9) . . ?
C24 C25 H25 120.6 . . ?
C20 C25 H25 120.6 . . ?
C31 C26 C27 119.0(8) . . ?
C31 C26 P1 119.8(6) . . ?
C27 C26 P1 120.9(6) . . ?
C26 C27 C28 120.7(9) . . ?
C26 C27 H27 119.7 . . ?
C28 C27 H27 119.7 . . ?
C29 C28 C27 119.4(9) . . ?
C29 C28 H28 120.3 . . ?
C27 C28 H28 120.3 . . ?
C30 C29 C28 120.1(10) . . ?
C30 C29 H29 120.0 . . ?
C28 C29 H29 120.0 . . ?
C29 C30 C31 120.8(9) . . ?
C29 C30 H30 119.6 . . ?
C31 C30 H30 119.6 . . ?
C26 C31 C30 119.9(8) . . ?
C26 C31 H31 120.0 . . ?
C30 C31 H31 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C1 C2 C7 39.3(11) . . . . ?
C8 C1 C2 C7 -137.5(8) . . . . ?
O1 C1 C2 C3 -138.3(8) . . . . ?
C8 C1 C2 C3 44.9(11) . . . . ?
C7 C2 C3 C4 0.3(11) . . . . ?
C1 C2 C3 C4 177.8(7) . . . . ?
C2 C3 C4 C5 1.5(11) . . . . ?
C3 C4 C5 C6 -1.9(11) . . . . ?
C3 C4 C5 Au1 -174.7(5) . . . . ?
C4 C5 C6 C7 0.5(11) . . . . ?
Au1 C5 C6 C7 173.5(5) . . . . ?
C5 C6 C7 C2 1.3(11) . . . . ?
C3 C2 C7 C6 -1.7(11) . . . . ?
C1 C2 C7 C6 -179.3(7) . . . . ?
O1 C1 C8 C9 14.9(12) . . . . ?
C2 C1 C8 C9 -168.4(7) . . . . ?
O1 C1 C8 C13 -161.2(8) . . . . ?
C2 C1 C8 C13 15.5(11) . . . . ?
C13 C8 C9 C10 1.5(12) . . . . ?
C1 C8 C9 C10 -174.8(8) . . . . ?
C8 C9 C10 C11 -1.6(14) . . . . ?
C9 C10 C11 C12 0.8(14) . . . . ?
C10 C11 C12 C13 0.1(13) . . . . ?
C11 C12 C13 C8 -0.1(13) . . . . ?
C9 C8 C13 C12 -0.6(12) . . . . ?
C1 C8 C13 C12 175.6(8) . . . . ?
C20 P1 C14 C15 154.4(6) . . . . ?
C26 P1 C14 C15 38.9(7) . . . . ?
Au1 P1 C14 C15 -82.2(6) . . . . ?
C20 P1 C14 C19 -26.4(7) . . . . ?
C26 P1 C14 C19 -141.9(6) . . . . ?
Au1 P1 C14 C19 97.0(6) . . . . ?
C19 C14 C15 C16 0.6(11) . . . . ?
P1 C14 C15 C16 179.9(6) . . . . ?
C14 C15 C16 C17 -0.9(13) . . . . ?
C15 C16 C17 C18 0.5(14) . . . . ?
C16 C17 C18 C19 0.0(14) . . . . ?
C15 C14 C19 C18 -0.1(11) . . . . ?
P1 C14 C19 C18 -179.3(6) . . . . ?
C17 C18 C19 C14 -0.2(12) . . . . ?
C14 P1 C20 C21 92.2(7) . . . . ?
C26 P1 C20 C21 -153.3(6) . . . . ?
Au1 P1 C20 C21 -33.4(7) . . . . ?
C14 P1 C20 C25 -84.5(7) . . . . ?
C26 P1 C20 C25 30.0(7) . . . . ?
Au1 P1 C20 C25 149.9(6) . . . . ?
C25 C20 C21 C22 3.1(12) . . . . ?
P1 C20 C21 C22 -173.7(6) . . . . ?
C20 C21 C22 C23 -2.1(14) . . . . ?
C21 C22 C23 C24 1.1(15) . . . . ?
C22 C23 C24 C25 -1.1(16) . . . . ?
C23 C24 C25 C20 2.1(15) . . . . ?
C21 C20 C25 C24 -3.1(13) . . . . ?
P1 C20 C25 C24 173.6(7) . . . . ?
C14 P1 C26 C31 -152.0(7) . . . . ?
C20 P1 C26 C31 94.8(7) . . . . ?
Au1 P1 C26 C31 -27.0(7) . . . . ?
C14 P1 C26 C27 33.9(8) . . . . ?
C20 P1 C26 C27 -79.3(8) . . . . ?
Au1 P1 C26 C27 158.9(7) . . . . ?
C31 C26 C27 C28 0.9(15) . . . . ?
P1 C26 C27 C28 175.0(8) . . . . ?
C26 C27 C28 C29 -3.6(18) . . . . ?
C27 C28 C29 C30 4.9(18) . . . . ?
C28 C29 C30 C31 -3.5(16) . . . . ?
C27 C26 C31 C30 0.5(13) . . . . ?
P1 C26 C31 C30 -173.7(7) . . . . ?
C29 C30 C31 C26 0.8(14) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C31 H31 Cl1 0.93 2.97 3.706(9) 137.1 .

_refine_diff_density_max         1.283
_refine_diff_density_min         -1.298
_refine_diff_density_rms         0.160


_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: '
####################################################################### 
# 
# 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_508pgs15
_database_code_depnum_ccdc_archive 'CCDC 1442894'
_audit_update_record             
;
2015-12-16 deposited with the CCDC.
2016-05-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        
'cis-(4-nitrophenyl)dichlorotriphenylphosphine gold(III)'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H19 Au Cl2 N O2 P'
_chemical_formula_sum            'C24 H19 Au Cl2 N O2 P'
_chemical_formula_weight         652.24

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

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

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

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

_cell_length_a                   9.360(3)
_cell_length_b                   16.371(5)
_cell_length_c                   16.662(5)
_cell_angle_alpha                90
_cell_angle_beta                 95.597(6)
_cell_angle_gamma                90
_cell_volume                     2540.9(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    5665
_cell_measurement_theta_min      2.40
_cell_measurement_theta_max      21.75

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.705
_exptl_crystal_F_000             1256
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.367
_exptl_crystal_size_mid          0.162
_exptl_crystal_size_min          0.128
_exptl_absorpt_coefficient_mu    6.083
_shelx_estimated_absorpt_T_min   0.214
_shelx_estimated_absorpt_T_max   0.510
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4032
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   '(Sheldrick, 2012)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  
'Bruker Smart Apex CCD diffractometer 01-670-01'
_diffrn_measurement_method       ω-scans
_diffrn_detector_area_resol_mean 8.333
_diffrn_reflns_number            36347
_diffrn_reflns_av_unetI/netI     0.0420
_diffrn_reflns_av_R_equivalents  0.0645
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.704
_diffrn_reflns_theta_max         27.103
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             5575
_reflns_number_gt                4301
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;

# SQUEEZE RESULTS (Version =  70515)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.500 1.000 128 84 ' '
2 0.500 0.000 0.500 128 84 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          ?

_computing_data_collection       'APEX2 v2012.10.0(Bruker, 2012)'
_computing_cell_refinement       'APEX2 v2012.10.0(Bruker, 2012)'
_computing_data_reduction        'SAINT V8.27B (Bruker, 2012)'
_computing_structure_solution    'SHELXS-2012 (Bruker, 2013)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'XP V 5.1 (Bruker, 1998)'
_computing_publication_material  'CIFTAB V 2013/2 (Sheldrick, 2013)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0263P)²+1.3475P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5575
_refine_ls_number_parameters     280
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0473
_refine_ls_R_factor_gt           0.0296
_refine_ls_wR_factor_ref         0.0678
_refine_ls_wR_factor_gt          0.0602
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_restrained_S_all      1.019
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.21734(2) 0.44042(2) 0.45303(2) 0.03548(7) Uani 1 1 d . . . . .
Cl1 Cl 0.13049(14) 0.43771(7) 0.31494(7) 0.0486(3) Uani 1 1 d . . . . .
Cl2 Cl 0.18087(15) 0.58091(8) 0.45654(8) 0.0568(3) Uani 1 1 d . . . . .
P1 P 0.24983(12) 0.30059(7) 0.45478(7) 0.0342(3) Uani 1 1 d . . . . .
O1 O 0.5807(6) 0.4815(3) 0.8320(3) 0.1005(16) Uani 1 1 d . . . . .
O2 O 0.3727(6) 0.5280(4) 0.8548(3) 0.1091(18) Uani 1 1 d . . . . .
N1 N 0.4564(7) 0.4979(3) 0.8114(3) 0.0724(15) Uani 1 1 d . . . . .
C1 C 0.2953(5) 0.4503(3) 0.5713(3) 0.0370(10) Uani 1 1 d . . . . .
C2 C 0.4413(5) 0.4466(3) 0.5931(3) 0.0416(11) Uani 1 1 d . . . . .
H2 H 0.5036 0.4349 0.5545 0.050 Uiso 1 1 calc R U . . .
C3 C 0.4951(6) 0.4602(3) 0.6722(3) 0.0492(13) Uani 1 1 d . . . . .
H3 H 0.5931 0.4571 0.6879 0.059 Uiso 1 1 calc R U . . .
C4 C 0.3980(6) 0.4789(3) 0.7275(3) 0.0529(13) Uani 1 1 d . . . . .
C5 C 0.2527(6) 0.4829(3) 0.7070(3) 0.0576(14) Uani 1 1 d . . . . .
H5 H 0.1903 0.4954 0.7455 0.069 Uiso 1 1 calc R U . . .
C6 C 0.2014(5) 0.4681(3) 0.6281(3) 0.0516(13) Uani 1 1 d . . . . .
H6 H 0.1032 0.4700 0.6128 0.062 Uiso 1 1 calc R U . . .
C7 C 0.3650(5) 0.2652(3) 0.5410(3) 0.0414(11) Uani 1 1 d . . . . .
C8 C 0.5093(5) 0.2528(3) 0.5354(3) 0.0558(14) Uani 1 1 d . . . . .
H8 H 0.5457 0.2576 0.4856 0.067 Uiso 1 1 calc R U . . .
C9 C 0.5995(7) 0.2336(4) 0.6024(4) 0.0763(19) Uani 1 1 d . . . . .
H9 H 0.6970 0.2260 0.5981 0.092 Uiso 1 1 calc R U . . .
C10 C 0.5466(9) 0.2254(4) 0.6754(4) 0.092(2) Uani 1 1 d . . . . .
H10 H 0.6079 0.2124 0.7209 0.110 Uiso 1 1 calc R U . . .
C11 C 0.4020(9) 0.2365(4) 0.6817(4) 0.092(2) Uani 1 1 d . . . . .
H11 H 0.3660 0.2293 0.7313 0.110 Uiso 1 1 calc R U . . .
C12 C 0.3101(6) 0.2581(4) 0.6152(3) 0.0654(16) Uani 1 1 d . . . . .
H12 H 0.2134 0.2677 0.6200 0.078 Uiso 1 1 calc R U . . .
C13 C 0.0800(5) 0.2481(3) 0.4541(3) 0.0395(11) Uani 1 1 d . . . . .
C14 C 0.0712(6) 0.1717(3) 0.4900(3) 0.0566(14) Uani 1 1 d . . . . .
H14 H 0.1523 0.1487 0.5178 0.068 Uiso 1 1 calc R U . . .
C15 C -0.0574(7) 0.1298(4) 0.4844(4) 0.0720(17) Uani 1 1 d . . . . .
H15 H -0.0627 0.0787 0.5083 0.086 Uiso 1 1 calc R U . . .
C16 C -0.1766(6) 0.1636(4) 0.4439(4) 0.0731(18) Uani 1 1 d . . . . .
H16 H -0.2629 0.1350 0.4398 0.088 Uiso 1 1 calc R U . . .
C17 C -0.1704(6) 0.2400(4) 0.4089(4) 0.0674(17) Uani 1 1 d . . . . .
H17 H -0.2521 0.2628 0.3815 0.081 Uiso 1 1 calc R U . . .
C18 C -0.0425(5) 0.2821(3) 0.4149(3) 0.0496(13) Uani 1 1 d . . . . .
H18 H -0.0385 0.3339 0.3923 0.060 Uiso 1 1 calc R U . . .
C19 C 0.3325(5) 0.2666(3) 0.3667(3) 0.0382(10) Uani 1 1 d . . . . .
C20 C 0.3056(5) 0.1882(3) 0.3381(3) 0.0589(14) Uani 1 1 d . . . . .
H20 H 0.2443 0.1540 0.3633 0.071 Uiso 1 1 calc R U . . .
C21 C 0.3709(7) 0.1608(4) 0.2715(4) 0.080(2) Uani 1 1 d . . . . .
H21 H 0.3539 0.1080 0.2523 0.096 Uiso 1 1 calc R U . . .
C22 C 0.4593(6) 0.2109(5) 0.2345(4) 0.0746(19) Uani 1 1 d . . . . .
H22 H 0.5009 0.1924 0.1894 0.090 Uiso 1 1 calc R U . . .
C23 C 0.4883(6) 0.2883(4) 0.2625(4) 0.0674(16) Uani 1 1 d . . . . .
H23 H 0.5501 0.3220 0.2372 0.081 Uiso 1 1 calc R U . . .
C24 C 0.4243(5) 0.3158(3) 0.3293(3) 0.0524(13) Uani 1 1 d . . . . .
H24 H 0.4439 0.3683 0.3489 0.063 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 C1 2.040(5) . ?
Au1 P1 2.3090(14) . ?
Au1 Cl2 2.3267(15) . ?
Au1 Cl1 2.3646(14) . ?
P1 C7 1.806(5) . ?
P1 C13 1.806(5) . ?
P1 C19 1.811(5) . ?
O1 N1 1.211(6) . ?
O2 N1 1.221(7) . ?
N1 C4 1.483(7) . ?
C1 C2 1.381(6) . ?
C1 C6 1.383(6) . ?
C2 C3 1.382(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.390(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.371(7) . ?
C5 C6 1.378(7) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C8 1.377(7) . ?
C7 C12 1.389(7) . ?
C8 C9 1.369(7) . ?
C8 H8 0.9300 . ?
C9 C10 1.365(9) . ?
C9 H9 0.9300 . ?
C10 C11 1.379(10) . ?
C10 H10 0.9300 . ?
C11 C12 1.380(8) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C18 1.379(6) . ?
C13 C14 1.393(7) . ?
C14 C15 1.380(7) . ?
C14 H14 0.9300 . ?
C15 C16 1.364(8) . ?
C15 H15 0.9300 . ?
C16 C17 1.385(8) . ?
C16 H16 0.9300 . ?
C17 C18 1.376(7) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C24 1.372(6) . ?
C19 C20 1.383(7) . ?
C20 C21 1.394(7) . ?
C20 H20 0.9300 . ?
C21 C22 1.355(8) . ?
C21 H21 0.9300 . ?
C22 C23 1.368(8) . ?
C22 H22 0.9300 . ?
C23 C24 1.390(7) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Au1 P1 91.86(12) . . ?
C1 Au1 Cl2 86.36(13) . . ?
P1 Au1 Cl2 177.59(5) . . ?
C1 Au1 Cl1 176.39(13) . . ?
P1 Au1 Cl1 91.49(4) . . ?
Cl2 Au1 Cl1 90.32(4) . . ?
C7 P1 C13 108.0(2) . . ?
C7 P1 C19 106.1(2) . . ?
C13 P1 C19 107.1(2) . . ?
C7 P1 Au1 113.32(16) . . ?
C13 P1 Au1 110.89(15) . . ?
C19 P1 Au1 111.13(16) . . ?
O1 N1 O2 125.2(6) . . ?
O1 N1 C4 118.5(6) . . ?
O2 N1 C4 116.3(6) . . ?
C2 C1 C6 120.5(4) . . ?
C2 C1 Au1 120.2(3) . . ?
C6 C1 Au1 119.1(3) . . ?
C1 C2 C3 120.2(5) . . ?
C1 C2 H2 119.9 . . ?
C3 C2 H2 119.9 . . ?
C2 C3 C4 117.8(5) . . ?
C2 C3 H3 121.1 . . ?
C4 C3 H3 121.1 . . ?
C5 C4 C3 122.9(5) . . ?
C5 C4 N1 119.4(5) . . ?
C3 C4 N1 117.7(5) . . ?
C4 C5 C6 118.3(5) . . ?
C4 C5 H5 120.8 . . ?
C6 C5 H5 120.8 . . ?
C5 C6 C1 120.3(5) . . ?
C5 C6 H6 119.9 . . ?
C1 C6 H6 119.9 . . ?
C8 C7 C12 119.9(5) . . ?
C8 C7 P1 120.4(4) . . ?
C12 C7 P1 119.4(4) . . ?
C9 C8 C7 120.6(6) . . ?
C9 C8 H8 119.7 . . ?
C7 C8 H8 119.7 . . ?
C10 C9 C8 120.0(6) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C9 C10 C11 119.9(6) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C10 C11 C12 120.8(6) . . ?
C10 C11 H11 119.6 . . ?
C12 C11 H11 119.6 . . ?
C11 C12 C7 118.6(6) . . ?
C11 C12 H12 120.7 . . ?
C7 C12 H12 120.7 . . ?
C18 C13 C14 119.0(4) . . ?
C18 C13 P1 120.1(4) . . ?
C14 C13 P1 120.9(4) . . ?
C15 C14 C13 120.3(5) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C16 C15 C14 119.9(6) . . ?
C16 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
C15 C16 C17 120.6(5) . . ?
C15 C16 H16 119.7 . . ?
C17 C16 H16 119.7 . . ?
C18 C17 C16 119.6(5) . . ?
C18 C17 H17 120.2 . . ?
C16 C17 H17 120.2 . . ?
C17 C18 C13 120.6(5) . . ?
C17 C18 H18 119.7 . . ?
C13 C18 H18 119.7 . . ?
C24 C19 C20 119.3(4) . . ?
C24 C19 P1 121.6(4) . . ?
C20 C19 P1 119.1(4) . . ?
C19 C20 C21 119.6(5) . . ?
C19 C20 H20 120.2 . . ?
C21 C20 H20 120.2 . . ?
C22 C21 C20 120.1(6) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C21 C22 C23 121.0(5) . . ?
C21 C22 H22 119.5 . . ?
C23 C22 H22 119.5 . . ?
C22 C23 C24 119.2(6) . . ?
C22 C23 H23 120.4 . . ?
C24 C23 H23 120.4 . . ?
C19 C24 C23 120.8(5) . . ?
C19 C24 H24 119.6 . . ?
C23 C24 H24 119.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 0.3(7) . . . . ?
Au1 C1 C2 C3 174.5(3) . . . . ?
C1 C2 C3 C4 -1.0(7) . . . . ?
C2 C3 C4 C5 1.0(8) . . . . ?
C2 C3 C4 N1 -176.8(4) . . . . ?
O1 N1 C4 C5 168.3(6) . . . . ?
O2 N1 C4 C5 -10.5(8) . . . . ?
O1 N1 C4 C3 -13.9(8) . . . . ?
O2 N1 C4 C3 167.3(6) . . . . ?
C3 C4 C5 C6 -0.1(8) . . . . ?
N1 C4 C5 C6 177.5(5) . . . . ?
C4 C5 C6 C1 -0.6(8) . . . . ?
C2 C1 C6 C5 0.5(8) . . . . ?
Au1 C1 C6 C5 -173.7(4) . . . . ?
C13 P1 C7 C8 141.4(4) . . . . ?
C19 P1 C7 C8 26.9(5) . . . . ?
Au1 P1 C7 C8 -95.3(4) . . . . ?
C13 P1 C7 C12 -44.8(5) . . . . ?
C19 P1 C7 C12 -159.3(4) . . . . ?
Au1 P1 C7 C12 78.5(4) . . . . ?
C12 C7 C8 C9 -0.1(8) . . . . ?
P1 C7 C8 C9 173.7(5) . . . . ?
C7 C8 C9 C10 0.9(9) . . . . ?
C8 C9 C10 C11 0.1(11) . . . . ?
C9 C10 C11 C12 -1.9(11) . . . . ?
C10 C11 C12 C7 2.6(10) . . . . ?
C8 C7 C12 C11 -1.7(8) . . . . ?
P1 C7 C12 C11 -175.5(5) . . . . ?
C7 P1 C13 C18 156.6(4) . . . . ?
C19 P1 C13 C18 -89.6(4) . . . . ?
Au1 P1 C13 C18 31.8(4) . . . . ?
C7 P1 C13 C14 -26.1(5) . . . . ?
C19 P1 C13 C14 87.8(4) . . . . ?
Au1 P1 C13 C14 -150.8(4) . . . . ?
C18 C13 C14 C15 1.7(8) . . . . ?
P1 C13 C14 C15 -175.7(4) . . . . ?
C13 C14 C15 C16 -0.3(9) . . . . ?
C14 C15 C16 C17 -0.6(10) . . . . ?
C15 C16 C17 C18 0.1(9) . . . . ?
C16 C17 C18 C13 1.3(9) . . . . ?
C14 C13 C18 C17 -2.2(8) . . . . ?
P1 C13 C18 C17 175.2(4) . . . . ?
C7 P1 C19 C24 -93.7(4) . . . . ?
C13 P1 C19 C24 151.1(4) . . . . ?
Au1 P1 C19 C24 29.8(4) . . . . ?
C7 P1 C19 C20 84.3(4) . . . . ?
C13 P1 C19 C20 -30.9(4) . . . . ?
Au1 P1 C19 C20 -152.2(4) . . . . ?
C24 C19 C20 C21 -0.6(8) . . . . ?
P1 C19 C20 C21 -178.7(4) . . . . ?
C19 C20 C21 C22 -0.5(9) . . . . ?
C20 C21 C22 C23 1.3(10) . . . . ?
C21 C22 C23 C24 -0.8(10) . . . . ?
C20 C19 C24 C23 1.1(7) . . . . ?
P1 C19 C24 C23 179.1(4) . . . . ?
C22 C23 C24 C19 -0.4(8) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C18 H18 Cl1 0.93 2.73 3.523(5) 143.8 .

_refine_diff_density_max         0.589
_refine_diff_density_min         -0.480
_refine_diff_density_rms         0.107



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Ether/CH2Cl2'
