# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_21020
_database_code_depnum_ccdc_archive 'CCDC 2175736'
loop_
_audit_author_name
_audit_author_address
'Kuldip Singh'
;University of Leicester
United Kingdom
;
_audit_update_record             
;
2022-05-30 deposited with the CCDC.	2022-12-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H26 Au Cl N O2 P'
_chemical_formula_sum            'C32 H26 Au Cl N O2 P'
_chemical_formula_weight         719.92

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

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

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

_cell_length_a                   8.8587(16)
_cell_length_b                   10.6137(19)
_cell_length_c                   14.364(3)
_cell_angle_alpha                90.750(3)
_cell_angle_beta                 90.402(3)
_cell_angle_gamma                96.359(3)
_cell_volume                     1342.1(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    777
_cell_measurement_theta_min      2.537
_cell_measurement_theta_max      24.648

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.781
_exptl_crystal_F_000             704
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.10
_exptl_absorpt_coefficient_mu    5.671
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.620
_exptl_absorpt_correction_T_max  0.837
_exptl_absorpt_process_details   
;
absorption correction based on 6309 reflections(SADABS);Rint 0.0900 before
correction and 0.0383 after.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker Apex 2000 CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            11355
_diffrn_reflns_av_unetI/netI     0.0888
_diffrn_reflns_av_R_equivalents  0.0500
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.931
_diffrn_reflns_theta_max         26.995
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measured_fraction_theta_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_point_group_measured_fraction_full 0.990
_reflns_number_total             5752
_reflns_number_gt                4792
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0283P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5752
_refine_ls_number_parameters     344
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0535
_refine_ls_R_factor_gt           0.0427
_refine_ls_wR_factor_ref         0.0827
_refine_ls_wR_factor_gt          0.0802
_refine_ls_goodness_of_fit_ref   0.945
_refine_ls_restrained_S_all      0.945
_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 0.59282(3) 0.73570(2) 0.67428(2) 0.02023(8) Uani 1 1 d . . . . .
Cl1 Cl -0.1895(2) 0.33168(17) 1.06858(11) 0.0381(4) Uani 1 1 d . . . . .
O1 O 0.4510(4) 0.5941(4) 0.6097(3) 0.0247(10) Uani 1 1 d . . . . .
O2 O 0.3581(4) 0.5487(4) 0.7502(3) 0.0285(11) Uani 1 1 d . . . . .
P1 P 0.72863(17) 0.90364(15) 0.73682(11) 0.0197(3) Uani 1 1 d . . . . .
N1 N 0.0802(6) 0.4284(5) 0.7593(3) 0.0276(13) Uani 1 1 d . . . . .
H1 H 0.166583 0.442616 0.790357 0.033 Uiso 1 1 calc R U . . .
C1 C 0.3508(7) 0.5375(6) 0.6646(4) 0.0203(13) Uani 1 1 d . . . . .
C2 C 0.2239(6) 0.4570(5) 0.6170(4) 0.0176(13) Uani 1 1 d . . . . .
C3 C 0.0903(7) 0.4094(6) 0.6647(4) 0.0208(13) Uani 1 1 d . . . . .
C4 C -0.0286(7) 0.3417(6) 0.6146(4) 0.0241(14) Uani 1 1 d . . . . .
H4 H -0.120445 0.312991 0.645272 0.029 Uiso 1 1 calc R U . . .
C5 C -0.0137(7) 0.3164(6) 0.5214(4) 0.0258(15) Uani 1 1 d . . . . .
H5 H -0.094799 0.268488 0.488737 0.031 Uiso 1 1 calc R U . . .
C6 C 0.1172(7) 0.3593(6) 0.4739(4) 0.0261(15) Uani 1 1 d . . . . .
H6 H 0.126511 0.340555 0.409466 0.031 Uiso 1 1 calc R U . . .
C7 C 0.2335(7) 0.4297(5) 0.5217(4) 0.0216(13) Uani 1 1 d . . . . .
H7 H 0.322751 0.460591 0.489126 0.026 Uiso 1 1 calc R U . . .
C8 C -0.0546(7) 0.4276(6) 0.8122(4) 0.0255(14) Uani 1 1 d . . . . .
C9 C -0.0529(7) 0.3767(5) 0.9011(4) 0.0215(13) Uani 1 1 d . . . . .
C10 C -0.1836(7) 0.3863(6) 0.9539(4) 0.0247(14) Uani 1 1 d . . . . .
C11 C -0.3078(8) 0.4416(6) 0.9225(4) 0.0298(16) Uani 1 1 d . . . . .
H11 H -0.393737 0.446139 0.961034 0.036 Uiso 1 1 calc R U . . .
C12 C -0.3045(7) 0.4895(6) 0.8347(5) 0.0308(16) Uani 1 1 d . . . . .
H12 H -0.389099 0.527957 0.811889 0.037 Uiso 1 1 calc R U . . .
C13 C -0.1788(7) 0.4827(6) 0.7784(4) 0.0263(15) Uani 1 1 d . . . . .
H13 H -0.177704 0.515556 0.717119 0.032 Uiso 1 1 calc R U . . .
C14 C 0.0778(7) 0.3131(6) 0.9346(4) 0.0302(16) Uani 1 1 d . . . . .
H14A H 0.105419 0.253248 0.886790 0.045 Uiso 1 1 calc R U . . .
H14B H 0.049755 0.267199 0.991798 0.045 Uiso 1 1 calc R U . . .
H14C H 0.164499 0.376791 0.947321 0.045 Uiso 1 1 calc R U . . .
C15 C 0.6611(6) 1.0448(6) 0.6890(4) 0.0208(13) Uani 1 1 d . . . . .
C16 C 0.6049(6) 1.1372(6) 0.7433(4) 0.0234(14) Uani 1 1 d . . . . .
H16 H 0.608090 1.131676 0.809199 0.028 Uiso 1 1 calc R U . . .
C17 C 0.5442(7) 1.2376(6) 0.7023(5) 0.0284(15) Uani 1 1 d . . . . .
H17 H 0.501768 1.298731 0.739924 0.034 Uiso 1 1 calc R U . . .
C18 C 0.5453(7) 1.2489(6) 0.6060(5) 0.0294(16) Uani 1 1 d . . . . .
H18 H 0.506818 1.319490 0.577928 0.035 Uiso 1 1 calc R U . . .
C19 C 0.6015(7) 1.1587(6) 0.5518(5) 0.0289(15) Uani 1 1 d . . . . .
H19 H 0.601979 1.166797 0.486050 0.035 Uiso 1 1 calc R U . . .
C20 C 0.6583(7) 1.0547(6) 0.5923(4) 0.0243(14) Uani 1 1 d . . . . .
H20 H 0.694899 0.991018 0.554262 0.029 Uiso 1 1 calc R U . . .
C21 C 0.9326(6) 0.9179(6) 0.7160(4) 0.0210(13) Uani 1 1 d . . . . .
C22 C 1.0116(7) 0.8178(6) 0.7379(4) 0.0248(14) Uani 1 1 d . . . . .
H22 H 0.959628 0.742327 0.762092 0.030 Uiso 1 1 calc R U . . .
C23 C 1.1665(7) 0.8271(6) 0.7248(4) 0.0308(16) Uani 1 1 d . . . . .
H23 H 1.221326 0.758283 0.740537 0.037 Uiso 1 1 calc R U . . .
C24 C 1.2423(7) 0.9365(7) 0.6887(5) 0.0372(18) Uani 1 1 d . . . . .
H24 H 1.348697 0.942191 0.678562 0.045 Uiso 1 1 calc R U . . .
C25 C 1.1633(7) 1.0371(7) 0.6674(6) 0.044(2) Uani 1 1 d . . . . .
H25 H 1.215320 1.112953 0.643902 0.053 Uiso 1 1 calc R U . . .
C26 C 1.0076(7) 1.0273(7) 0.6805(5) 0.0372(18) Uani 1 1 d . . . . .
H26 H 0.952574 1.096080 0.664945 0.045 Uiso 1 1 calc R U . . .
C27 C 0.7085(7) 0.9130(6) 0.8618(4) 0.0207(13) Uani 1 1 d . . . . .
C28 C 0.5938(7) 0.8370(6) 0.9052(4) 0.0244(14) Uani 1 1 d . . . . .
H28 H 0.526380 0.779629 0.869153 0.029 Uiso 1 1 calc R U . . .
C29 C 0.5764(7) 0.8441(6) 1.0011(4) 0.0300(16) Uani 1 1 d . . . . .
H29 H 0.496384 0.792487 1.030311 0.036 Uiso 1 1 calc R U . . .
C30 C 0.6751(7) 0.9257(6) 1.0536(4) 0.0293(16) Uani 1 1 d . . . . .
H30 H 0.664255 0.929767 1.119319 0.035 Uiso 1 1 calc R U . . .
C31 C 0.7894(7) 1.0015(6) 1.0109(5) 0.0309(16) Uani 1 1 d . . . . .
H31 H 0.856799 1.058643 1.047179 0.037 Uiso 1 1 calc R U . . .
C32 C 0.8069(7) 0.9950(6) 0.9151(4) 0.0263(15) Uani 1 1 d . . . . .
H32 H 0.886790 1.047015 0.886049 0.032 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 O1 2.056(4) . ?
Au1 P1 2.2135(16) . ?
Cl1 C10 1.753(6) . ?
O1 C1 1.294(7) . ?
O2 C1 1.234(7) . ?
P1 C27 1.808(6) . ?
P1 C15 1.815(6) . ?
P1 C21 1.824(6) . ?
N1 C3 1.377(7) . ?
N1 C8 1.420(7) . ?
N1 H1 0.8800 . ?
C1 C2 1.492(8) . ?
C2 C7 1.400(8) . ?
C2 C3 1.419(8) . ?
C3 C4 1.397(8) . ?
C4 C5 1.372(8) . ?
C4 H4 0.9500 . ?
C5 C6 1.385(8) . ?
C5 H5 0.9500 . ?
C6 C7 1.378(8) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C13 1.390(9) . ?
C8 C9 1.394(8) . ?
C9 C10 1.400(8) . ?
C9 C14 1.484(8) . ?
C10 C11 1.379(9) . ?
C11 C12 1.365(9) . ?
C11 H11 0.9500 . ?
C12 C13 1.389(9) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.382(8) . ?
C15 C20 1.394(8) . ?
C16 C17 1.382(8) . ?
C16 H16 0.9500 . ?
C17 C18 1.390(9) . ?
C17 H17 0.9500 . ?
C18 C19 1.365(9) . ?
C18 H18 0.9500 . ?
C19 C20 1.395(8) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C22 1.374(8) . ?
C21 C26 1.378(9) . ?
C22 C23 1.379(8) . ?
C22 H22 0.9500 . ?
C23 C24 1.384(9) . ?
C23 H23 0.9500 . ?
C24 C25 1.375(10) . ?
C24 H24 0.9500 . ?
C25 C26 1.386(9) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C32 1.381(8) . ?
C27 C28 1.383(8) . ?
C28 C29 1.389(8) . ?
C28 H28 0.9500 . ?
C29 C30 1.375(9) . ?
C29 H29 0.9500 . ?
C30 C31 1.375(9) . ?
C30 H30 0.9500 . ?
C31 C32 1.388(9) . ?
C31 H31 0.9500 . ?
C32 H32 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
O1 Au1 P1 173.40(12) . . ?
C1 O1 Au1 113.6(4) . . ?
C27 P1 C15 107.2(3) . . ?
C27 P1 C21 105.6(3) . . ?
C15 P1 C21 106.2(3) . . ?
C27 P1 Au1 112.6(2) . . ?
C15 P1 Au1 108.29(19) . . ?
C21 P1 Au1 116.4(2) . . ?
C3 N1 C8 126.9(5) . . ?
C3 N1 H1 116.5 . . ?
C8 N1 H1 116.5 . . ?
O2 C1 O1 123.1(6) . . ?
O2 C1 C2 121.8(5) . . ?
O1 C1 C2 115.1(5) . . ?
C7 C2 C3 118.4(5) . . ?
C7 C2 C1 119.6(5) . . ?
C3 C2 C1 122.0(5) . . ?
N1 C3 C4 120.9(5) . . ?
N1 C3 C2 120.0(5) . . ?
C4 C3 C2 119.1(5) . . ?
C5 C4 C3 120.5(6) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
C4 C5 C6 121.4(6) . . ?
C4 C5 H5 119.3 . . ?
C6 C5 H5 119.3 . . ?
C7 C6 C5 118.8(6) . . ?
C7 C6 H6 120.6 . . ?
C5 C6 H6 120.6 . . ?
C6 C7 C2 121.8(5) . . ?
C6 C7 H7 119.1 . . ?
C2 C7 H7 119.1 . . ?
C13 C8 C9 121.9(6) . . ?
C13 C8 N1 120.8(6) . . ?
C9 C8 N1 117.1(6) . . ?
C8 C9 C10 115.5(6) . . ?
C8 C9 C14 121.2(6) . . ?
C10 C9 C14 123.3(6) . . ?
C11 C10 C9 123.9(6) . . ?
C11 C10 Cl1 117.0(5) . . ?
C9 C10 Cl1 119.1(5) . . ?
C12 C11 C10 118.5(6) . . ?
C12 C11 H11 120.7 . . ?
C10 C11 H11 120.7 . . ?
C11 C12 C13 120.7(6) . . ?
C11 C12 H12 119.7 . . ?
C13 C12 H12 119.7 . . ?
C12 C13 C8 119.5(6) . . ?
C12 C13 H13 120.2 . . ?
C8 C13 H13 120.2 . . ?
C9 C14 H14A 109.5 . . ?
C9 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C9 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 C20 119.4(6) . . ?
C16 C15 P1 123.2(5) . . ?
C20 C15 P1 117.3(5) . . ?
C17 C16 C15 120.5(6) . . ?
C17 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
C16 C17 C18 119.9(6) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C19 C18 C17 120.0(6) . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C18 C19 C20 120.5(6) . . ?
C18 C19 H19 119.8 . . ?
C20 C19 H19 119.8 . . ?
C15 C20 C19 119.6(6) . . ?
C15 C20 H20 120.2 . . ?
C19 C20 H20 120.2 . . ?
C22 C21 C26 120.2(6) . . ?
C22 C21 P1 118.7(5) . . ?
C26 C21 P1 121.1(5) . . ?
C21 C22 C23 119.9(6) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 H22 120.1 . . ?
C22 C23 C24 120.2(6) . . ?
C22 C23 H23 119.9 . . ?
C24 C23 H23 119.9 . . ?
C25 C24 C23 119.9(6) . . ?
C25 C24 H24 120.1 . . ?
C23 C24 H24 120.1 . . ?
C24 C25 C26 119.8(7) . . ?
C24 C25 H25 120.1 . . ?
C26 C25 H25 120.1 . . ?
C21 C26 C25 120.1(7) . . ?
C21 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C32 C27 C28 119.3(6) . . ?
C32 C27 P1 120.8(5) . . ?
C28 C27 P1 119.9(5) . . ?
C27 C28 C29 120.5(6) . . ?
C27 C28 H28 119.8 . . ?
C29 C28 H28 119.8 . . ?
C30 C29 C28 119.9(6) . . ?
C30 C29 H29 120.0 . . ?
C28 C29 H29 120.0 . . ?
C31 C30 C29 119.9(6) . . ?
C31 C30 H30 120.1 . . ?
C29 C30 H30 120.1 . . ?
C30 C31 C32 120.4(6) . . ?
C30 C31 H31 119.8 . . ?
C32 C31 H31 119.8 . . ?
C27 C32 C31 120.1(6) . . ?
C27 C32 H32 119.9 . . ?
C31 C32 H32 119.9 . . ?

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 O1 C1 O2 -13.9(7) . . . . ?
Au1 O1 C1 C2 165.9(4) . . . . ?
O2 C1 C2 C7 -169.1(6) . . . . ?
O1 C1 C2 C7 11.1(8) . . . . ?
O2 C1 C2 C3 12.7(9) . . . . ?
O1 C1 C2 C3 -167.1(5) . . . . ?
C8 N1 C3 C4 -24.1(9) . . . . ?
C8 N1 C3 C2 157.0(6) . . . . ?
C7 C2 C3 N1 176.5(5) . . . . ?
C1 C2 C3 N1 -5.3(9) . . . . ?
C7 C2 C3 C4 -2.5(8) . . . . ?
C1 C2 C3 C4 175.7(5) . . . . ?
N1 C3 C4 C5 -175.9(6) . . . . ?
C2 C3 C4 C5 3.1(9) . . . . ?
C3 C4 C5 C6 -1.5(10) . . . . ?
C4 C5 C6 C7 -0.6(10) . . . . ?
C5 C6 C7 C2 1.1(9) . . . . ?
C3 C2 C7 C6 0.4(9) . . . . ?
C1 C2 C7 C6 -177.8(5) . . . . ?
C3 N1 C8 C13 -40.2(9) . . . . ?
C3 N1 C8 C9 143.8(6) . . . . ?
C13 C8 C9 C10 -0.7(9) . . . . ?
N1 C8 C9 C10 175.3(5) . . . . ?
C13 C8 C9 C14 177.2(6) . . . . ?
N1 C8 C9 C14 -6.8(9) . . . . ?
C8 C9 C10 C11 0.1(9) . . . . ?
C14 C9 C10 C11 -177.8(6) . . . . ?
C8 C9 C10 Cl1 -177.2(4) . . . . ?
C14 C9 C10 Cl1 5.0(8) . . . . ?
C9 C10 C11 C12 0.3(10) . . . . ?
Cl1 C10 C11 C12 177.5(5) . . . . ?
C10 C11 C12 C13 0.0(9) . . . . ?
C11 C12 C13 C8 -0.6(10) . . . . ?
C9 C8 C13 C12 1.0(10) . . . . ?
N1 C8 C13 C12 -174.8(6) . . . . ?
C27 P1 C15 C16 -0.6(6) . . . . ?
C21 P1 C15 C16 -113.1(5) . . . . ?
Au1 P1 C15 C16 121.2(5) . . . . ?
C27 P1 C15 C20 -176.6(5) . . . . ?
C21 P1 C15 C20 70.9(5) . . . . ?
Au1 P1 C15 C20 -54.8(5) . . . . ?
C20 C15 C16 C17 1.0(9) . . . . ?
P1 C15 C16 C17 -174.9(5) . . . . ?
C15 C16 C17 C18 -2.7(9) . . . . ?
C16 C17 C18 C19 2.2(9) . . . . ?
C17 C18 C19 C20 0.0(9) . . . . ?
C16 C15 C20 C19 1.2(9) . . . . ?
P1 C15 C20 C19 177.3(4) . . . . ?
C18 C19 C20 C15 -1.7(9) . . . . ?
C27 P1 C21 C22 72.2(5) . . . . ?
C15 P1 C21 C22 -174.3(5) . . . . ?
Au1 P1 C21 C22 -53.7(5) . . . . ?
C27 P1 C21 C26 -106.7(6) . . . . ?
C15 P1 C21 C26 6.9(6) . . . . ?
Au1 P1 C21 C26 127.5(5) . . . . ?
C26 C21 C22 C23 0.3(9) . . . . ?
P1 C21 C22 C23 -178.6(5) . . . . ?
C21 C22 C23 C24 -0.7(10) . . . . ?
C22 C23 C24 C25 1.2(10) . . . . ?
C23 C24 C25 C26 -1.3(11) . . . . ?
C22 C21 C26 C25 -0.5(10) . . . . ?
P1 C21 C26 C25 178.4(6) . . . . ?
C24 C25 C26 C21 1.0(12) . . . . ?
C15 P1 C27 C32 -74.5(5) . . . . ?
C21 P1 C27 C32 38.4(6) . . . . ?
Au1 P1 C27 C32 166.5(4) . . . . ?
C15 P1 C27 C28 105.8(5) . . . . ?
C21 P1 C27 C28 -141.3(5) . . . . ?
Au1 P1 C27 C28 -13.2(5) . . . . ?
C32 C27 C28 C29 0.8(9) . . . . ?
P1 C27 C28 C29 -179.5(5) . . . . ?
C27 C28 C29 C30 -0.9(10) . . . . ?
C28 C29 C30 C31 0.9(10) . . . . ?
C29 C30 C31 C32 -0.8(10) . . . . ?
C28 C27 C32 C31 -0.6(9) . . . . ?
P1 C27 C32 C31 179.7(5) . . . . ?
C30 C31 C32 C27 0.6(10) . . . . ?

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
_geom_hbond_publ_flag
N1 H1 O2 0.88 2.02 2.650(6) 127.3 . yes

_refine_diff_density_max         2.070
_refine_diff_density_min         -1.183
_refine_diff_density_rms         0.182




####################################################################### 
# 
# 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_21003
_database_code_depnum_ccdc_archive 'CCDC 2175739'
loop_
_audit_author_name
_audit_author_address
'Kuldip Singh'
;University of Leicester
United Kingdom
;
_audit_update_record             
;
2022-05-30 deposited with the CCDC.	2022-12-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C33 H29 Au N O2 P'
_chemical_formula_sum            'C33 H29 Au N O2 P'
_chemical_formula_weight         699.51

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'
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'

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

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

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

_cell_length_a                   8.6860(18)
_cell_length_b                   10.558(2)
_cell_length_c                   15.503(3)
_cell_angle_alpha                80.834(3)
_cell_angle_beta                 74.403(4)
_cell_angle_gamma                89.873(4)
_cell_volume                     1350.7(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    915
_cell_measurement_theta_min      2.437
_cell_measurement_theta_max      28.320

_exptl_crystal_description       block
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.720
_exptl_crystal_F_000             688
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.10
_exptl_absorpt_coefficient_mu    5.537
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.537
_exptl_absorpt_correction_T_max  0.831
_exptl_absorpt_process_details   
;
absoprtion correction based on 6823 reflections(SADABS);Rint 0.1369 before
correction and 0.0417 after.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker Apex 2000 CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            10565
_diffrn_reflns_av_unetI/netI     0.0773
_diffrn_reflns_av_R_equivalents  0.0517
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.956
_diffrn_reflns_theta_max         25.996
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measured_fraction_theta_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_point_group_measured_fraction_full 0.989
_reflns_number_total             5230
_reflns_number_gt                4547
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0300P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5230
_refine_ls_number_parameters     345
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0459
_refine_ls_R_factor_gt           0.0385
_refine_ls_wR_factor_ref         0.0790
_refine_ls_wR_factor_gt          0.0770
_refine_ls_goodness_of_fit_ref   0.967
_refine_ls_restrained_S_all      0.967
_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 0.27862(3) 0.98367(2) 0.17086(2) 0.01846(8) Uani 1 1 d . . . . .
O1 O 0.1830(5) 1.1579(4) 0.1872(3) 0.0248(10) Uani 1 1 d . . . . .
O2 O -0.0192(5) 1.0581(4) 0.2982(3) 0.0276(10) Uani 1 1 d . . . . .
P1 P 0.39132(17) 0.80016(13) 0.14519(10) 0.0158(3) Uani 1 1 d . . . . .
N1 N -0.2378(6) 1.2041(5) 0.3877(3) 0.0275(12) Uani 1 1 d . . . . .
H1 H -0.185774 1.133247 0.394637 0.033 Uiso 1 1 calc R U . . .
C1 C 0.0470(7) 1.1561(5) 0.2476(4) 0.0196(13) Uani 1 1 d . . . . .
C2 C -0.0257(7) 1.2837(5) 0.2506(4) 0.0200(13) Uani 1 1 d . . . . .
C3 C -0.1667(7) 1.3029(5) 0.3201(4) 0.0188(13) Uani 1 1 d . . . . .
C4 C -0.2308(7) 1.4246(5) 0.3155(4) 0.0210(13) Uani 1 1 d . . . . .
H4 H -0.323679 1.439368 0.361127 0.025 Uiso 1 1 calc R U . . .
C5 C -0.1626(7) 1.5229(5) 0.2467(4) 0.0231(13) Uani 1 1 d . . . . .
H5 H -0.210114 1.604074 0.245025 0.028 Uiso 1 1 calc R U . . .
C6 C -0.0255(7) 1.5064(5) 0.1796(4) 0.0251(14) Uani 1 1 d . . . . .
H6 H 0.022232 1.575156 0.132435 0.030 Uiso 1 1 calc R U . . .
C7 C 0.0391(7) 1.3872(5) 0.1833(4) 0.0231(13) Uani 1 1 d . . . . .
H7 H 0.132903 1.375199 0.137373 0.028 Uiso 1 1 calc R U . . .
C8 C -0.3940(7) 1.2119(5) 0.4476(4) 0.0219(13) Uani 1 1 d . . . . .
C9 C -0.5252(8) 1.1511(5) 0.4341(4) 0.0246(14) Uani 1 1 d . . . . .
C10 C -0.6774(7) 1.1603(6) 0.4946(4) 0.0280(15) Uani 1 1 d . . . . .
C11 C -0.6906(8) 1.2300(6) 0.5648(4) 0.0294(15) Uani 1 1 d . . . . .
H11 H -0.792663 1.236301 0.605734 0.035 Uiso 1 1 calc R U . . .
C12 C -0.5592(8) 1.2901(6) 0.5764(4) 0.0288(15) Uani 1 1 d . . . . .
H12 H -0.571257 1.338477 0.624334 0.035 Uiso 1 1 calc R U . . .
C13 C -0.4093(7) 1.2804(6) 0.5183(4) 0.0255(14) Uani 1 1 d . . . . .
H13 H -0.317843 1.320357 0.526822 0.031 Uiso 1 1 calc R U . . .
C14 C -0.5095(9) 1.0770(6) 0.3572(4) 0.0366(17) Uani 1 1 d . . . . .
H14A H -0.400842 1.090730 0.316560 0.055 Uiso 1 1 calc R U . . .
H14B H -0.586796 1.106709 0.323389 0.055 Uiso 1 1 calc R U . . .
H14C H -0.530534 0.985334 0.381588 0.055 Uiso 1 1 calc R U . . .
C15 C -0.8246(8) 1.0994(7) 0.4827(5) 0.0405(18) Uani 1 1 d . . . . .
H15A H -0.916484 1.109533 0.533647 0.061 Uiso 1 1 calc R U . . .
H15B H -0.808979 1.007841 0.480769 0.061 Uiso 1 1 calc R U . . .
H15C H -0.844566 1.141131 0.425744 0.061 Uiso 1 1 calc R U . . .
C16 C 0.6072(7) 0.8128(5) 0.1244(4) 0.0167(12) Uani 1 1 d . . . . .
C17 C 0.7110(7) 0.7908(5) 0.0434(4) 0.0187(12) Uani 1 1 d . . . . .
H17 H 0.671207 0.760532 -0.001281 0.022 Uiso 1 1 calc R U . . .
C18 C 0.8751(7) 0.8140(6) 0.0288(4) 0.0276(15) Uani 1 1 d . . . . .
H18 H 0.947054 0.798869 -0.026326 0.033 Uiso 1 1 calc R U . . .
C19 C 0.9338(7) 0.8583(6) 0.0925(4) 0.0287(15) Uani 1 1 d . . . . .
H19 H 1.045514 0.875290 0.080961 0.034 Uiso 1 1 calc R U . . .
C20 C 0.8291(7) 0.8783(5) 0.1744(4) 0.0249(14) Uani 1 1 d . . . . .
H20 H 0.869264 0.906836 0.219630 0.030 Uiso 1 1 calc R U . . .
C21 C 0.6663(7) 0.8562(5) 0.1893(4) 0.0204(13) Uani 1 1 d . . . . .
H21 H 0.594474 0.871012 0.244549 0.025 Uiso 1 1 calc R U . . .
C22 C 0.3591(6) 0.7478(5) 0.0453(4) 0.0156(12) Uani 1 1 d . . . . .
C23 C 0.3450(7) 0.6184(5) 0.0380(4) 0.0209(13) Uani 1 1 d . . . . .
H23 H 0.351448 0.553874 0.087039 0.025 Uiso 1 1 calc R U . . .
C24 C 0.3221(7) 0.5839(6) -0.0393(4) 0.0257(14) Uani 1 1 d . . . . .
H24 H 0.311552 0.495703 -0.043359 0.031 Uiso 1 1 calc R U . . .
C25 C 0.3144(7) 0.6771(6) -0.1114(4) 0.0256(14) Uani 1 1 d . . . . .
H25 H 0.299330 0.652714 -0.165105 0.031 Uiso 1 1 calc R U . . .
C26 C 0.3283(8) 0.8047(6) -0.1055(4) 0.0274(15) Uani 1 1 d . . . . .
H26 H 0.323819 0.868578 -0.155300 0.033 Uiso 1 1 calc R U . . .
C27 C 0.3489(7) 0.8401(5) -0.0275(4) 0.0236(14) Uani 1 1 d . . . . .
H27 H 0.356217 0.928587 -0.023299 0.028 Uiso 1 1 calc R U . . .
C28 C 0.3187(6) 0.6701(5) 0.2390(4) 0.0164(12) Uani 1 1 d . . . . .
C29 C 0.1696(7) 0.6781(6) 0.2995(4) 0.0228(13) Uani 1 1 d . . . . .
H29 H 0.110533 0.753273 0.293646 0.027 Uiso 1 1 calc R U . . .
C30 C 0.1077(8) 0.5755(6) 0.3684(4) 0.0309(15) Uani 1 1 d . . . . .
H30 H 0.006197 0.580709 0.410110 0.037 Uiso 1 1 calc R U . . .
C31 C 0.1922(8) 0.4673(6) 0.3763(4) 0.0324(16) Uani 1 1 d . . . . .
H31 H 0.147781 0.396580 0.422553 0.039 Uiso 1 1 calc R U . . .
C32 C 0.3431(8) 0.4594(6) 0.3173(4) 0.0327(16) Uani 1 1 d . . . . .
H32 H 0.402154 0.384325 0.324096 0.039 Uiso 1 1 calc R U . . .
C33 C 0.4059(7) 0.5604(6) 0.2494(4) 0.0240(14) Uani 1 1 d . . . . .
H33 H 0.509168 0.555660 0.209387 0.029 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 O1 2.042(4) . ?
Au1 P1 2.2131(14) . ?
O1 C1 1.293(6) . ?
O2 C1 1.233(7) . ?
P1 C28 1.809(5) . ?
P1 C22 1.814(6) . ?
P1 C16 1.817(6) . ?
N1 C3 1.369(7) . ?
N1 C8 1.434(7) . ?
N1 H1 0.8800 . ?
C1 C2 1.488(8) . ?
C2 C7 1.387(8) . ?
C2 C3 1.435(7) . ?
C3 C4 1.398(8) . ?
C4 C5 1.370(8) . ?
C4 H4 0.9500 . ?
C5 C6 1.387(8) . ?
C5 H5 0.9500 . ?
C6 C7 1.376(8) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C13 1.384(8) . ?
C8 C9 1.389(8) . ?
C9 C10 1.414(8) . ?
C9 C14 1.503(8) . ?
C10 C11 1.389(9) . ?
C10 C15 1.500(9) . ?
C11 C12 1.374(9) . ?
C11 H11 0.9500 . ?
C12 C13 1.384(8) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C21 1.382(8) . ?
C16 C17 1.387(7) . ?
C17 C18 1.397(8) . ?
C17 H17 0.9500 . ?
C18 C19 1.368(9) . ?
C18 H18 0.9500 . ?
C19 C20 1.396(8) . ?
C19 H19 0.9500 . ?
C20 C21 1.385(8) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 C27 1.390(8) . ?
C22 C23 1.397(7) . ?
C23 C24 1.370(8) . ?
C23 H23 0.9500 . ?
C24 C25 1.383(8) . ?
C24 H24 0.9500 . ?
C25 C26 1.373(8) . ?
C25 H25 0.9500 . ?
C26 C27 1.377(8) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 C29 1.391(7) . ?
C28 C33 1.394(8) . ?
C29 C30 1.389(8) . ?
C29 H29 0.9500 . ?
C30 C31 1.364(9) . ?
C30 H30 0.9500 . ?
C31 C32 1.393(9) . ?
C31 H31 0.9500 . ?
C32 C33 1.371(8) . ?
C32 H32 0.9500 . ?
C33 H33 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
O1 Au1 P1 176.62(12) . . ?
C1 O1 Au1 116.2(3) . . ?
C28 P1 C22 106.9(2) . . ?
C28 P1 C16 106.8(2) . . ?
C22 P1 C16 105.2(2) . . ?
C28 P1 Au1 112.82(18) . . ?
C22 P1 Au1 112.68(18) . . ?
C16 P1 Au1 111.97(17) . . ?
C3 N1 C8 122.4(5) . . ?
C3 N1 H1 118.8 . . ?
C8 N1 H1 118.8 . . ?
O2 C1 O1 123.7(5) . . ?
O2 C1 C2 122.1(5) . . ?
O1 C1 C2 114.2(5) . . ?
C7 C2 C3 118.0(5) . . ?
C7 C2 C1 120.1(5) . . ?
C3 C2 C1 121.8(5) . . ?
N1 C3 C4 121.1(5) . . ?
N1 C3 C2 120.8(5) . . ?
C4 C3 C2 118.0(5) . . ?
C5 C4 C3 121.4(5) . . ?
C5 C4 H4 119.3 . . ?
C3 C4 H4 119.3 . . ?
C4 C5 C6 121.3(5) . . ?
C4 C5 H5 119.3 . . ?
C6 C5 H5 119.3 . . ?
C7 C6 C5 117.9(5) . . ?
C7 C6 H6 121.0 . . ?
C5 C6 H6 121.0 . . ?
C6 C7 C2 123.3(5) . . ?
C6 C7 H7 118.3 . . ?
C2 C7 H7 118.3 . . ?
C13 C8 C9 121.7(5) . . ?
C13 C8 N1 118.4(5) . . ?
C9 C8 N1 119.9(5) . . ?
C8 C9 C10 118.5(5) . . ?
C8 C9 C14 121.9(6) . . ?
C10 C9 C14 119.6(6) . . ?
C11 C10 C9 119.1(6) . . ?
C11 C10 C15 119.7(6) . . ?
C9 C10 C15 121.3(6) . . ?
C12 C11 C10 121.3(6) . . ?
C12 C11 H11 119.3 . . ?
C10 C11 H11 119.3 . . ?
C11 C12 C13 120.1(6) . . ?
C11 C12 H12 120.0 . . ?
C13 C12 H12 120.0 . . ?
C8 C13 C12 119.3(6) . . ?
C8 C13 H13 120.3 . . ?
C12 C13 H13 120.3 . . ?
C9 C14 H14A 109.5 . . ?
C9 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C9 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C10 C15 H15A 109.5 . . ?
C10 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C10 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C21 C16 C17 120.2(5) . . ?
C21 C16 P1 117.5(4) . . ?
C17 C16 P1 122.1(4) . . ?
C16 C17 C18 118.9(5) . . ?
C16 C17 H17 120.6 . . ?
C18 C17 H17 120.6 . . ?
C19 C18 C17 121.1(6) . . ?
C19 C18 H18 119.4 . . ?
C17 C18 H18 119.4 . . ?
C18 C19 C20 119.8(6) . . ?
C18 C19 H19 120.1 . . ?
C20 C19 H19 120.1 . . ?
C21 C20 C19 119.4(6) . . ?
C21 C20 H20 120.3 . . ?
C19 C20 H20 120.3 . . ?
C16 C21 C20 120.6(5) . . ?
C16 C21 H21 119.7 . . ?
C20 C21 H21 119.7 . . ?
C27 C22 C23 118.5(5) . . ?
C27 C22 P1 118.8(4) . . ?
C23 C22 P1 122.7(4) . . ?
C24 C23 C22 120.5(5) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C23 C24 C25 120.3(6) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 H24 119.9 . . ?
C26 C25 C24 120.0(6) . . ?
C26 C25 H25 120.0 . . ?
C24 C25 H25 120.0 . . ?
C25 C26 C27 120.0(6) . . ?
C25 C26 H26 120.0 . . ?
C27 C26 H26 120.0 . . ?
C26 C27 C22 120.7(5) . . ?
C26 C27 H27 119.6 . . ?
C22 C27 H27 119.6 . . ?
C29 C28 C33 119.7(5) . . ?
C29 C28 P1 118.9(4) . . ?
C33 C28 P1 121.3(4) . . ?
C30 C29 C28 119.6(6) . . ?
C30 C29 H29 120.2 . . ?
C28 C29 H29 120.2 . . ?
C31 C30 C29 120.1(6) . . ?
C31 C30 H30 120.0 . . ?
C29 C30 H30 120.0 . . ?
C30 C31 C32 120.7(6) . . ?
C30 C31 H31 119.6 . . ?
C32 C31 H31 119.6 . . ?
C33 C32 C31 119.7(6) . . ?
C33 C32 H32 120.2 . . ?
C31 C32 H32 120.2 . . ?
C32 C33 C28 120.2(6) . . ?
C32 C33 H33 119.9 . . ?
C28 C33 H33 119.9 . . ?

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 O1 C1 O2 5.2(8) . . . . ?
Au1 O1 C1 C2 -174.2(4) . . . . ?
O2 C1 C2 C7 -169.5(6) . . . . ?
O1 C1 C2 C7 9.8(8) . . . . ?
O2 C1 C2 C3 8.0(9) . . . . ?
O1 C1 C2 C3 -172.6(5) . . . . ?
C8 N1 C3 C4 11.0(9) . . . . ?
C8 N1 C3 C2 -167.7(5) . . . . ?
C7 C2 C3 N1 179.0(5) . . . . ?
C1 C2 C3 N1 1.4(9) . . . . ?
C7 C2 C3 C4 0.3(8) . . . . ?
C1 C2 C3 C4 -177.3(5) . . . . ?
N1 C3 C4 C5 -178.3(6) . . . . ?
C2 C3 C4 C5 0.4(8) . . . . ?
C3 C4 C5 C6 -1.0(9) . . . . ?
C4 C5 C6 C7 0.9(9) . . . . ?
C5 C6 C7 C2 -0.1(9) . . . . ?
C3 C2 C7 C6 -0.5(9) . . . . ?
C1 C2 C7 C6 177.2(6) . . . . ?
C3 N1 C8 C13 -78.2(7) . . . . ?
C3 N1 C8 C9 102.0(7) . . . . ?
C13 C8 C9 C10 0.0(9) . . . . ?
N1 C8 C9 C10 179.8(5) . . . . ?
C13 C8 C9 C14 179.7(5) . . . . ?
N1 C8 C9 C14 -0.5(9) . . . . ?
C8 C9 C10 C11 0.4(9) . . . . ?
C14 C9 C10 C11 -179.4(5) . . . . ?
C8 C9 C10 C15 178.6(6) . . . . ?
C14 C9 C10 C15 -1.1(9) . . . . ?
C9 C10 C11 C12 0.1(9) . . . . ?
C15 C10 C11 C12 -178.1(6) . . . . ?
C10 C11 C12 C13 -1.0(9) . . . . ?
C9 C8 C13 C12 -0.8(9) . . . . ?
N1 C8 C13 C12 179.4(5) . . . . ?
C11 C12 C13 C8 1.3(9) . . . . ?
C28 P1 C16 C21 -69.1(5) . . . . ?
C22 P1 C16 C21 177.6(4) . . . . ?
Au1 P1 C16 C21 54.9(5) . . . . ?
C28 P1 C16 C17 116.4(5) . . . . ?
C22 P1 C16 C17 3.1(5) . . . . ?
Au1 P1 C16 C17 -119.6(4) . . . . ?
C21 C16 C17 C18 -0.3(8) . . . . ?
P1 C16 C17 C18 174.0(4) . . . . ?
C16 C17 C18 C19 -0.3(9) . . . . ?
C17 C18 C19 C20 1.3(9) . . . . ?
C18 C19 C20 C21 -1.6(9) . . . . ?
C17 C16 C21 C20 0.0(8) . . . . ?
P1 C16 C21 C20 -174.6(4) . . . . ?
C19 C20 C21 C16 1.0(8) . . . . ?
C28 P1 C22 C27 157.1(4) . . . . ?
C16 P1 C22 C27 -89.6(5) . . . . ?
Au1 P1 C22 C27 32.6(5) . . . . ?
C28 P1 C22 C23 -23.3(5) . . . . ?
C16 P1 C22 C23 90.0(5) . . . . ?
Au1 P1 C22 C23 -147.8(4) . . . . ?
C27 C22 C23 C24 0.1(9) . . . . ?
P1 C22 C23 C24 -179.4(4) . . . . ?
C22 C23 C24 C25 0.7(9) . . . . ?
C23 C24 C25 C26 -0.5(9) . . . . ?
C24 C25 C26 C27 -0.5(9) . . . . ?
C25 C26 C27 C22 1.3(9) . . . . ?
C23 C22 C27 C26 -1.1(8) . . . . ?
P1 C22 C27 C26 178.4(5) . . . . ?
C22 P1 C28 C29 -101.3(5) . . . . ?
C16 P1 C28 C29 146.5(4) . . . . ?
Au1 P1 C28 C29 23.1(5) . . . . ?
C22 P1 C28 C33 75.9(5) . . . . ?
C16 P1 C28 C33 -36.2(5) . . . . ?
Au1 P1 C28 C33 -159.7(4) . . . . ?
C33 C28 C29 C30 -1.4(9) . . . . ?
P1 C28 C29 C30 175.9(5) . . . . ?
C28 C29 C30 C31 -0.4(9) . . . . ?
C29 C30 C31 C32 1.8(10) . . . . ?
C30 C31 C32 C33 -1.3(10) . . . . ?
C31 C32 C33 C28 -0.5(9) . . . . ?
C29 C28 C33 C32 1.9(9) . . . . ?
P1 C28 C33 C32 -175.3(5) . . . . ?

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
_geom_hbond_publ_flag
N1 H1 O2 0.88 2.04 2.676(6) 128.1 . yes

_refine_diff_density_max         2.107
_refine_diff_density_min         -1.322
_refine_diff_density_rms         0.173




####################################################################### 
# 
# 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_21034
_database_code_depnum_ccdc_archive 'CCDC 2175740'
loop_
_audit_author_name
_audit_author_address
'Kuldip Singh'
;University of Leicester
United Kingdom
;
_audit_update_record             
;
2022-05-30 deposited with the CCDC.	2022-12-12 downloaded from the CCDC.
;

_vrf_PLAT971_I                   
;
PROBLEM: Check Calcd Resid. Dens.  0.98A   From Au1             3.93 eA-3  
RESPONSE: Electron density very close to the metal centre.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C31 H32 Au O2 P'
_chemical_formula_sum            'C31 H32 Au O2 P'
_chemical_formula_weight         664.50

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'
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           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

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

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

_cell_length_a                   13.325(5)
_cell_length_b                   12.768(5)
_cell_length_c                   16.802(7)
_cell_angle_alpha                90
_cell_angle_beta                 102.997(7)
_cell_angle_gamma                90
_cell_volume                     2785.3(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    922
_cell_measurement_theta_min      2.726
_cell_measurement_theta_max      28.104

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_F_000             1312
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.46
_exptl_crystal_size_min          0.04
_exptl_absorpt_coefficient_mu    5.364
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.339
_exptl_absorpt_correction_T_max  0.831
_exptl_absorpt_process_details   
;
absorption correction based on 10407 reflections(SADABS);Rint 0.1857 before
correction and 0.0914 after.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker Apex 2000 CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            21714
_diffrn_reflns_av_unetI/netI     0.1238
_diffrn_reflns_av_R_equivalents  0.1070
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.244
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_point_group_measured_fraction_full 0.987
_reflns_number_total             10774
_reflns_number_gt                8611
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.878
_reflns_Friedel_fraction_max     0.965
_reflns_Friedel_fraction_full    0.972

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

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0904P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
; 
 Flack x determined using 2827 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   -0.003(14)
_chemical_absolute_configuration syn
_refine_ls_number_reflns         10774
_refine_ls_number_parameters     637
_refine_ls_number_restraints     110
_refine_ls_R_factor_all          0.0896
_refine_ls_R_factor_gt           0.0740
_refine_ls_wR_factor_ref         0.1743
_refine_ls_wR_factor_gt          0.1663
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_restrained_S_all      1.010
_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 0.12916(6) 0.55990(6) 0.53480(5) 0.0408(3) Uani 1 1 d . . . . .
O1 O 0.2720(12) 0.6223(12) 0.5917(10) 0.049(4) Uani 1 1 d . . . . .
O2 O 0.2677(14) 0.5072(14) 0.6886(10) 0.060(5) Uani 1 1 d . . . . .
P1 P -0.0222(4) 0.4966(4) 0.4696(3) 0.0339(11) Uani 1 1 d . U . . .
C1 C 0.3074(16) 0.5766(16) 0.6603(12) 0.035(5) Uani 1 1 d . . . . .
C2 C 0.4150(17) 0.6227(17) 0.7066(15) 0.049(6) Uani 1 1 d . . . . .
H2 H 0.447267 0.568538 0.747349 0.058 Uiso 1 1 calc R U . . .
C3 C 0.3954(15) 0.7151(14) 0.7543(13) 0.036(5) Uani 1 1 d D . . . .
C4 C 0.3871(18) 0.7122(18) 0.8325(14) 0.044(6) Uani 1 1 d . . . . .
H4 H 0.396487 0.646679 0.859956 0.053 Uiso 1 1 calc R U . . .
C5 C 0.366(2) 0.798(2) 0.8750(15) 0.066(8) Uani 1 1 d . . . . .
H5 H 0.362860 0.790128 0.930615 0.080 Uiso 1 1 calc R U . . .
C6 C 0.350(2) 0.892(2) 0.8389(18) 0.071(7) Uani 1 1 d . U . . .
C7 C 0.3582(19) 0.8981(19) 0.7638(16) 0.049(6) Uani 1 1 d . . . . .
H7 H 0.349269 0.965077 0.738586 0.058 Uiso 1 1 calc R U . . .
C8 C 0.3792(16) 0.8138(18) 0.7169(11) 0.043(5) Uani 1 1 d D . . . .
H8 H 0.382294 0.823184 0.661464 0.051 Uiso 1 1 calc R U . . .
C9 C 0.315(2) 0.989(2) 0.8813(19) 0.078(6) Uani 1 1 d . U . . .
H9A H 0.255432 1.021785 0.843575 0.094 Uiso 1 1 calc R U . . .
H9B H 0.291386 0.965332 0.930398 0.094 Uiso 1 1 calc R U . . .
C10 C 0.402(3) 1.070(3) 0.9065(19) 0.086(6) Uani 1 1 d . U . . .
H10 H 0.429184 1.084848 0.857055 0.103 Uiso 1 1 calc R U . . .
C11 C 0.4902(18) 0.640(2) 0.6499(19) 0.069(9) Uani 1 1 d . . . . .
H11A H 0.468913 0.701190 0.615449 0.104 Uiso 1 1 calc R U . . .
H11B H 0.489469 0.577717 0.615165 0.104 Uiso 1 1 calc R U . . .
H11C H 0.560002 0.650414 0.682968 0.104 Uiso 1 1 calc R U . . .
C12 C 0.353(3) 1.174(3) 0.930(3) 0.111(10) Uani 1 1 d . U . . .
H12A H 0.327479 1.162975 0.979487 0.167 Uiso 1 1 calc R U . . .
H12B H 0.295884 1.194910 0.885043 0.167 Uiso 1 1 calc R U . . .
H12C H 0.405495 1.229204 0.939505 0.167 Uiso 1 1 calc R U . . .
C13 C 0.491(3) 1.030(3) 0.972(2) 0.110(10) Uani 1 1 d . U . . .
H13A H 0.548897 1.012987 0.947538 0.165 Uiso 1 1 calc R U . . .
H13B H 0.469555 0.967428 0.997532 0.165 Uiso 1 1 calc R U . . .
H13C H 0.511849 1.084613 1.013662 0.165 Uiso 1 1 calc R U . . .
C14 C -0.1118(16) 0.5983(16) 0.4200(12) 0.0338(13) Uani 1 1 d . U . . .
C15 C -0.0745(16) 0.6914(16) 0.4015(12) 0.0341(15) Uani 1 1 d . U . . .
H15 H -0.002598 0.705077 0.414701 0.041 Uiso 1 1 calc R U . . .
C16 C -0.144(2) 0.7664(19) 0.3627(14) 0.049(6) Uani 1 1 d . . . . .
H16 H -0.117349 0.831964 0.350243 0.059 Uiso 1 1 calc R U . . .
C17 C -0.244(2) 0.7517(19) 0.3424(13) 0.049(6) Uani 1 1 d . . . . .
H17 H -0.287643 0.803877 0.312587 0.058 Uiso 1 1 calc R U . . .
C18 C -0.2851(19) 0.659(2) 0.3647(16) 0.053(7) Uani 1 1 d . . . . .
H18 H -0.357593 0.649881 0.354142 0.064 Uiso 1 1 calc R U . . .
C19 C -0.2189(15) 0.5811(17) 0.4028(11) 0.0344(15) Uani 1 1 d . U . . .
H19 H -0.245671 0.516569 0.416965 0.041 Uiso 1 1 calc R U . . .
C20 C -0.0891(14) 0.4299(15) 0.5374(11) 0.030(4) Uani 1 1 d D . . . .
C21 C -0.0822(18) 0.4693(19) 0.6147(12) 0.045(6) Uani 1 1 d . . . . .
H21 H -0.041429 0.530070 0.630457 0.054 Uiso 1 1 calc R U . . .
C22 C -0.130(2) 0.426(2) 0.6691(15) 0.059(7) Uani 1 1 d . . . . .
H22 H -0.120776 0.453196 0.722904 0.071 Uiso 1 1 calc R U . . .
C23 C -0.1970(19) 0.337(2) 0.6435(14) 0.054(7) Uani 1 1 d . . . . .
H23 H -0.235764 0.307000 0.678794 0.065 Uiso 1 1 calc R U . . .
C24 C -0.202(2) 0.298(2) 0.5697(16) 0.058(7) Uani 1 1 d . . . . .
H24 H -0.242407 0.236811 0.553954 0.069 Uiso 1 1 calc R U . . .
C25 C -0.1529(15) 0.3424(17) 0.5152(13) 0.043(6) Uani 1 1 d D . . . .
H25 H -0.161706 0.313804 0.461929 0.052 Uiso 1 1 calc R U . . .
C26 C -0.0118(16) 0.4008(16) 0.3918(11) 0.030(4) Uani 1 1 d . . . . .
C27 C -0.0856(19) 0.3907(19) 0.3198(13) 0.043(6) Uani 1 1 d . . . . .
H27 H -0.142852 0.437009 0.308555 0.051 Uiso 1 1 calc R U . . .
C28 C -0.0765(18) 0.313(3) 0.2634(13) 0.054(6) Uani 1 1 d . . . . .
H28 H -0.126073 0.306572 0.213269 0.065 Uiso 1 1 calc R U . . .
C29 C 0.007(2) 0.245(2) 0.2826(14) 0.055(7) Uani 1 1 d . . . . .
H29 H 0.013144 0.189883 0.245743 0.066 Uiso 1 1 calc R U . . .
C30 C 0.080(2) 0.2551(18) 0.3537(18) 0.057(7) Uani 1 1 d . . . . .
H30 H 0.136987 0.208508 0.365042 0.069 Uiso 1 1 calc R U . . .
C31 C 0.0718(16) 0.332(2) 0.4087(13) 0.044(5) Uani 1 1 d . . . . .
H31 H 0.122785 0.338549 0.458023 0.053 Uiso 1 1 calc R U . . .
Au1A Au 0.88057(6) 0.32263(5) 0.98692(5) 0.0339(2) Uani 1 1 d . . . . .
O1A O 0.7345(10) 0.2681(12) 0.9380(9) 0.042(3) Uani 1 1 d . U . . .
O2A O 0.7317(16) 0.3722(15) 0.8312(10) 0.075(6) Uani 1 1 d . . . . .
P1A P 1.0359(4) 0.3847(4) 1.0435(3) 0.0293(11) Uani 1 1 d . . . . .
C1A C 0.6919(17) 0.307(2) 0.8691(15) 0.052(3) Uani 1 1 d . U . . .
C2A C 0.5826(18) 0.2653(19) 0.8328(16) 0.053(3) Uani 1 1 d . U . . .
H2A H 0.557815 0.228100 0.877119 0.063 Uiso 1 1 calc R U . . .
C3A C 0.5887(17) 0.1879(19) 0.7685(15) 0.053(3) Uani 1 1 d . U . . .
C4A C 0.6106(17) 0.080(2) 0.7894(14) 0.048(6) Uani 1 1 d . . . . .
H4A H 0.617308 0.060002 0.844744 0.058 Uiso 1 1 calc R U . . .
C5A C 0.622(2) 0.008(2) 0.7359(19) 0.065(8) Uani 1 1 d . . . . .
H5A H 0.631051 -0.063142 0.752117 0.078 Uiso 1 1 calc R U . . .
C6A C 0.621(2) 0.038(3) 0.6513(17) 0.073(7) Uani 1 1 d . U . . .
C7A C 0.594(2) 0.141(3) 0.6298(16) 0.062(8) Uani 1 1 d . . . . .
H7A H 0.583301 0.161279 0.574197 0.075 Uiso 1 1 calc R U . . .
C8A C 0.5813(18) 0.2121(19) 0.6859(15) 0.054(6) Uani 1 1 d . . . . .
H8A H 0.566815 0.282464 0.668621 0.065 Uiso 1 1 calc R U . . .
C9A C 0.645(2) -0.035(3) 0.589(2) 0.087(7) Uani 1 1 d D U . . .
H9A1 H 0.710846 -0.070324 0.614027 0.104 Uiso 1 1 calc R U . . .
H9A2 H 0.658037 0.008336 0.543407 0.104 Uiso 1 1 calc R U . . .
C10A C 0.5682(18) -0.117(2) 0.554(2) 0.098(7) Uani 1 1 d D U . . .
H10A H 0.560379 -0.160093 0.601961 0.118 Uiso 1 1 calc R U . . .
C11A C 0.5082(17) 0.3546(18) 0.8022(16) 0.055(3) Uani 1 1 d . U . . .
H11D H 0.541422 0.405534 0.772819 0.083 Uiso 1 1 calc R U . . .
H11E H 0.489032 0.389041 0.848774 0.083 Uiso 1 1 calc R U . . .
H11F H 0.446275 0.326839 0.765345 0.083 Uiso 1 1 calc R U . . .
C12A C 0.613(2) -0.191(4) 0.501(2) 0.129(11) Uani 1 1 d D U . . .
H12D H 0.612235 -0.157824 0.448598 0.193 Uiso 1 1 calc R U . . .
H12E H 0.571120 -0.255282 0.492036 0.193 Uiso 1 1 calc R U . . .
H12F H 0.683631 -0.208904 0.528575 0.193 Uiso 1 1 calc R U . . .
C13A C 0.4607(17) -0.076(2) 0.5176(16) 0.072(7) Uani 1 1 d D U . . .
H13D H 0.464223 -0.023128 0.475984 0.108 Uiso 1 1 calc R U . . .
H13E H 0.431992 -0.044416 0.560734 0.108 Uiso 1 1 calc R U . . .
H13F H 0.416577 -0.133969 0.492419 0.108 Uiso 1 1 calc R U . . .
C14A C 1.0903(16) 0.4515(17) 0.9672(12) 0.036(5) Uani 1 1 d . . . . .
C15A C 1.0644(16) 0.4218(18) 0.8867(13) 0.040(5) Uani 1 1 d . . . . .
H15A H 1.012209 0.370666 0.869820 0.048 Uiso 1 1 calc R U . . .
C16A C 1.112(2) 0.464(2) 0.8302(14) 0.055(7) Uani 1 1 d . . . . .
H16A H 1.099409 0.435678 0.776684 0.066 Uiso 1 1 calc R U . . .
C17A C 1.1784(17) 0.548(3) 0.8500(13) 0.050(6) Uani 1 1 d . . . . .
H17A H 1.207288 0.581263 0.809784 0.059 Uiso 1 1 calc R U . . .
C18A C 1.2016(17) 0.5822(17) 0.9304(13) 0.040(5) Uani 1 1 d . . . . .
H18A H 1.249286 0.637961 0.945442 0.048 Uiso 1 1 calc R U . . .
C19A C 1.1566(15) 0.5366(14) 0.9907(12) 0.033(5) Uani 1 1 d . . . . .
H19A H 1.170698 0.562739 1.045034 0.039 Uiso 1 1 calc R U . . .
C20A C 1.0324(16) 0.4826(16) 1.1213(11) 0.030(5) Uani 1 1 d . . . . .
C21A C 0.9521(16) 0.554(2) 1.1028(13) 0.044(5) Uani 1 1 d . . . . .
H21A H 0.899061 0.545084 1.054929 0.053 Uiso 1 1 calc R U . . .
C22A C 0.950(2) 0.6401(19) 1.1570(15) 0.053(7) Uani 1 1 d . . . . .
H22A H 0.896781 0.691103 1.143160 0.064 Uiso 1 1 calc R U . . .
C23A C 1.019(2) 0.650(2) 1.2249(15) 0.057(7) Uani 1 1 d . . . . .
H23A H 1.015029 0.705391 1.261385 0.069 Uiso 1 1 calc R U . . .
C24A C 1.106(2) 0.573(2) 1.2454(14) 0.063(7) Uani 1 1 d . . . . .
H24A H 1.159082 0.580772 1.293099 0.076 Uiso 1 1 calc R U . . .
C25A C 1.1053(18) 0.4889(19) 1.1926(14) 0.044(6) Uani 1 1 d . . . . .
H25A H 1.156145 0.435694 1.206236 0.053 Uiso 1 1 calc R U . . .
C26A C 1.1344(18) 0.2879(16) 1.0855(14) 0.043(5) Uani 1 1 d . . . . .
C27A C 1.2341(14) 0.3093(19) 1.1076(13) 0.040(5) Uani 1 1 d . . . . .
H27A H 1.255951 0.379058 1.101591 0.048 Uiso 1 1 calc R U . . .
C28A C 1.3095(19) 0.233(2) 1.1396(16) 0.051(6) Uani 1 1 d . . . . .
H28A H 1.380891 0.249940 1.152820 0.062 Uiso 1 1 calc R U . . .
C29A C 1.2749(18) 0.1363(19) 1.1505(14) 0.049(6) Uani 1 1 d . . . . .
H29A H 1.323720 0.083795 1.172696 0.058 Uiso 1 1 calc R U . . .
C30A C 1.175(2) 0.1106(18) 1.1315(14) 0.052(7) Uani 1 1 d . . . . .
H30A H 1.154338 0.040657 1.138806 0.063 Uiso 1 1 calc R U . . .
C31A C 1.1018(16) 0.1854(16) 1.1012(12) 0.033(4) Uani 1 1 d . . . . .
H31A H 1.030512 0.168800 1.090984 0.040 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 O1 2.086(15) . ?
Au1 P1 2.220(6) . ?
O1 C1 1.28(2) . ?
O2 C1 1.18(2) . ?
P1 C20 1.810(19) . ?
P1 C26 1.82(2) . ?
P1 C14 1.83(2) . ?
C1 C2 1.58(3) . ?
C2 C3 1.48(3) . ?
C2 C11 1.55(3) . ?
C2 H2 1.0000 . ?
C3 C4 1.34(3) . ?
C3 C8 1.40(2) . ?
C4 C5 1.37(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.34(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.29(4) . ?
C6 C9 1.55(4) . ?
C7 C8 1.40(3) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 C10 1.54(4) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C13 1.51(5) . ?
C10 C12 1.57(5) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.35(3) . ?
C14 C19 1.41(3) . ?
C15 C16 1.39(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.31(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.39(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.39(3) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C21 1.38(3) . ?
C20 C25 1.40(2) . ?
C21 C22 1.35(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.45(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.32(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.37(3) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 C27 1.38(3) . ?
C26 C31 1.40(3) . ?
C27 C28 1.40(3) . ?
C27 H27 0.9500 . ?
C28 C29 1.39(3) . ?
C28 H28 0.9500 . ?
C29 C30 1.37(4) . ?
C29 H29 0.9500 . ?
C30 C31 1.37(3) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
Au1A O1A 2.056(14) . ?
Au1A P1A 2.220(5) . ?
O1A C1A 1.27(3) . ?
O2A C1A 1.24(3) . ?
P1A C20A 1.817(19) . ?
P1A C14A 1.82(2) . ?
P1A C26A 1.82(2) . ?
C1A C2A 1.54(3) . ?
C2A C3A 1.48(3) . ?
C2A C11A 1.52(3) . ?
C2A H2A 1.0000 . ?
C3A C8A 1.40(4) . ?
C3A C4A 1.43(3) . ?
C4A C5A 1.32(4) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.47(4) . ?
C5A H5A 0.9500 . ?
C6A C7A 1.39(4) . ?
C6A C9A 1.48(4) . ?
C7A C8A 1.35(4) . ?
C7A H7A 0.9500 . ?
C8A H8A 0.9500 . ?
C9A C10A 1.497(14) . ?
C9A H9A1 0.9900 . ?
C9A H9A2 0.9900 . ?
C10A C12A 1.508(14) . ?
C10A C13A 1.519(14) . ?
C10A H10A 1.0000 . ?
C11A H11D 0.9800 . ?
C11A H11E 0.9800 . ?
C11A H11F 0.9800 . ?
C12A H12D 0.9800 . ?
C12A H12E 0.9800 . ?
C12A H12F 0.9800 . ?
C13A H13D 0.9800 . ?
C13A H13E 0.9800 . ?
C13A H13F 0.9800 . ?
C14A C15A 1.37(3) . ?
C14A C19A 1.40(3) . ?
C15A C16A 1.37(3) . ?
C15A H15A 0.9500 . ?
C16A C17A 1.38(4) . ?
C16A H16A 0.9500 . ?
C17A C18A 1.39(3) . ?
C17A H17A 0.9500 . ?
C18A C19A 1.41(3) . ?
C18A H18A 0.9500 . ?
C19A H19A 0.9500 . ?
C20A C25A 1.37(3) . ?
C20A C21A 1.38(3) . ?
C21A C22A 1.44(3) . ?
C21A H21A 0.9500 . ?
C22A C23A 1.30(3) . ?
C22A H22A 0.9500 . ?
C23A C24A 1.49(4) . ?
C23A H23A 0.9500 . ?
C24A C25A 1.39(3) . ?
C24A H24A 0.9500 . ?
C25A H25A 0.9500 . ?
C26A C27A 1.33(3) . ?
C26A C31A 1.42(3) . ?
C27A C28A 1.41(3) . ?
C27A H27A 0.9500 . ?
C28A C29A 1.35(4) . ?
C28A H28A 0.9500 . ?
C29A C30A 1.34(3) . ?
C29A H29A 0.9500 . ?
C30A C31A 1.38(3) . ?
C30A H30A 0.9500 . ?
C31A H31A 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
O1 Au1 P1 177.7(5) . . ?
C1 O1 Au1 110.6(13) . . ?
C20 P1 C26 105.3(9) . . ?
C20 P1 C14 104.9(9) . . ?
C26 P1 C14 107.3(9) . . ?
C20 P1 Au1 112.5(6) . . ?
C26 P1 Au1 113.1(7) . . ?
C14 P1 Au1 113.1(7) . . ?
O2 C1 O1 126(2) . . ?
O2 C1 C2 121.2(19) . . ?
O1 C1 C2 112.4(18) . . ?
C3 C2 C11 116.1(19) . . ?
C3 C2 C1 108.1(18) . . ?
C11 C2 C1 113.0(19) . . ?
C3 C2 H2 106.3 . . ?
C11 C2 H2 106.3 . . ?
C1 C2 H2 106.3 . . ?
C4 C3 C8 115.0(19) . . ?
C4 C3 C2 124.8(19) . . ?
C8 C3 C2 120(2) . . ?
C3 C4 C5 124(2) . . ?
C3 C4 H4 117.9 . . ?
C5 C4 H4 117.9 . . ?
C6 C5 C4 121(2) . . ?
C6 C5 H5 119.7 . . ?
C4 C5 H5 119.7 . . ?
C7 C6 C5 117(3) . . ?
C7 C6 C9 120(3) . . ?
C5 C6 C9 123(2) . . ?
C6 C7 C8 125(3) . . ?
C6 C7 H7 117.5 . . ?
C8 C7 H7 117.5 . . ?
C7 C8 C3 118.1(19) . . ?
C7 C8 H8 121.0 . . ?
C3 C8 H8 121.0 . . ?
C10 C9 C6 112(2) . . ?
C10 C9 H9A 109.2 . . ?
C6 C9 H9A 109.2 . . ?
C10 C9 H9B 109.2 . . ?
C6 C9 H9B 109.2 . . ?
H9A C9 H9B 107.9 . . ?
C13 C10 C9 113(3) . . ?
C13 C10 C12 114(3) . . ?
C9 C10 C12 108(3) . . ?
C13 C10 H10 107.1 . . ?
C9 C10 H10 107.1 . . ?
C12 C10 H10 107.1 . . ?
C2 C11 H11A 109.5 . . ?
C2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 C19 120(2) . . ?
C15 C14 P1 119.5(16) . . ?
C19 C14 P1 120.7(16) . . ?
C14 C15 C16 118(2) . . ?
C14 C15 H15 120.8 . . ?
C16 C15 H15 120.8 . . ?
C17 C16 C15 124(2) . . ?
C17 C16 H16 118.2 . . ?
C15 C16 H16 118.2 . . ?
C16 C17 C18 119(2) . . ?
C16 C17 H17 120.3 . . ?
C18 C17 H17 120.3 . . ?
C17 C18 C19 119(2) . . ?
C17 C18 H18 120.4 . . ?
C19 C18 H18 120.4 . . ?
C18 C19 C14 119(2) . . ?
C18 C19 H19 120.3 . . ?
C14 C19 H19 120.3 . . ?
C21 C20 C25 116.8(19) . . ?
C21 C20 P1 118.9(16) . . ?
C25 C20 P1 124.2(15) . . ?
C22 C21 C20 123(2) . . ?
C22 C21 H21 118.4 . . ?
C20 C21 H21 118.4 . . ?
C21 C22 C23 118(2) . . ?
C21 C22 H22 120.8 . . ?
C23 C22 H22 120.8 . . ?
C24 C23 C22 118(2) . . ?
C24 C23 H23 120.8 . . ?
C22 C23 H23 120.8 . . ?
C23 C24 C25 123(3) . . ?
C23 C24 H24 118.6 . . ?
C25 C24 H24 118.6 . . ?
C24 C25 C20 120(2) . . ?
C24 C25 H25 119.8 . . ?
C20 C25 H25 119.8 . . ?
C27 C26 C31 119.8(19) . . ?
C27 C26 P1 122.6(17) . . ?
C31 C26 P1 117.6(15) . . ?
C26 C27 C28 120(2) . . ?
C26 C27 H27 119.8 . . ?
C28 C27 H27 119.8 . . ?
C29 C28 C27 118(2) . . ?
C29 C28 H28 120.8 . . ?
C27 C28 H28 120.8 . . ?
C30 C29 C28 121(2) . . ?
C30 C29 H29 119.5 . . ?
C28 C29 H29 119.5 . . ?
C29 C30 C31 121(2) . . ?
C29 C30 H30 119.6 . . ?
C31 C30 H30 119.6 . . ?
C30 C31 C26 120(2) . . ?
C30 C31 H31 120.2 . . ?
C26 C31 H31 120.2 . . ?
O1A Au1A P1A 177.8(5) . . ?
C1A O1A Au1A 115.0(15) . . ?
C20A P1A C14A 105.2(9) . . ?
C20A P1A C26A 108.7(9) . . ?
C14A P1A C26A 103.0(10) . . ?
C20A P1A Au1A 112.4(7) . . ?
C14A P1A Au1A 110.3(7) . . ?
C26A P1A Au1A 116.4(7) . . ?
O2A C1A O1A 125(2) . . ?
O2A C1A C2A 120(2) . . ?
O1A C1A C2A 115(2) . . ?
C3A C2A C11A 113(2) . . ?
C3A C2A C1A 108(2) . . ?
C11A C2A C1A 111(2) . . ?
C3A C2A H2A 107.9 . . ?
C11A C2A H2A 107.9 . . ?
C1A C2A H2A 107.9 . . ?
C8A C3A C4A 115(2) . . ?
C8A C3A C2A 125(2) . . ?
C4A C3A C2A 120(2) . . ?
C5A C4A C3A 123(2) . . ?
C5A C4A H4A 118.3 . . ?
C3A C4A H4A 118.3 . . ?
C4A C5A C6A 120(3) . . ?
C4A C5A H5A 120.0 . . ?
C6A C5A H5A 120.0 . . ?
C7A C6A C5A 116(3) . . ?
C7A C6A C9A 120(3) . . ?
C5A C6A C9A 124(3) . . ?
C8A C7A C6A 122(3) . . ?
C8A C7A H7A 119.2 . . ?
C6A C7A H7A 119.2 . . ?
C7A C8A C3A 123(2) . . ?
C7A C8A H8A 118.3 . . ?
C3A C8A H8A 118.3 . . ?
C6A C9A C10A 118(2) . . ?
C6A C9A H9A1 107.7 . . ?
C10A C9A H9A1 107.7 . . ?
C6A C9A H9A2 107.7 . . ?
C10A C9A H9A2 107.7 . . ?
H9A1 C9A H9A2 107.1 . . ?
C9A C10A C12A 110(3) . . ?
C9A C10A C13A 115(2) . . ?
C12A C10A C13A 116(3) . . ?
C9A C10A H10A 104.8 . . ?
C12A C10A H10A 104.8 . . ?
C13A C10A H10A 104.8 . . ?
C2A C11A H11D 109.5 . . ?
C2A C11A H11E 109.5 . . ?
H11D C11A H11E 109.5 . . ?
C2A C11A H11F 109.5 . . ?
H11D C11A H11F 109.5 . . ?
H11E C11A H11F 109.5 . . ?
C10A C12A H12D 109.5 . . ?
C10A C12A H12E 109.5 . . ?
H12D C12A H12E 109.5 . . ?
C10A C12A H12F 109.5 . . ?
H12D C12A H12F 109.5 . . ?
H12E C12A H12F 109.5 . . ?
C10A C13A H13D 109.5 . . ?
C10A C13A H13E 109.5 . . ?
H13D C13A H13E 109.5 . . ?
C10A C13A H13F 109.5 . . ?
H13D C13A H13F 109.5 . . ?
H13E C13A H13F 109.5 . . ?
C15A C14A C19A 120(2) . . ?
C15A C14A P1A 120.9(16) . . ?
C19A C14A P1A 119.4(15) . . ?
C16A C15A C14A 121(2) . . ?
C16A C15A H15A 119.3 . . ?
C14A C15A H15A 119.3 . . ?
C15A C16A C17A 121(2) . . ?
C15A C16A H16A 119.6 . . ?
C17A C16A H16A 119.6 . . ?
C16A C17A C18A 118(2) . . ?
C16A C17A H17A 121.0 . . ?
C18A C17A H17A 121.0 . . ?
C17A C18A C19A 122(2) . . ?
C17A C18A H18A 119.0 . . ?
C19A C18A H18A 119.0 . . ?
C14A C19A C18A 117.4(18) . . ?
C14A C19A H19A 121.3 . . ?
C18A C19A H19A 121.3 . . ?
C25A C20A C21A 121(2) . . ?
C25A C20A P1A 122.9(17) . . ?
C21A C20A P1A 115.7(16) . . ?
C20A C21A C22A 119(2) . . ?
C20A C21A H21A 120.4 . . ?
C22A C21A H21A 120.4 . . ?
C23A C22A C21A 121(2) . . ?
C23A C22A H22A 119.6 . . ?
C21A C22A H22A 119.6 . . ?
C22A C23A C24A 120(2) . . ?
C22A C23A H23A 120.0 . . ?
C24A C23A H23A 120.0 . . ?
C25A C24A C23A 118(2) . . ?
C25A C24A H24A 121.1 . . ?
C23A C24A H24A 121.1 . . ?
C20A C25A C24A 120(2) . . ?
C20A C25A H25A 119.8 . . ?
C24A C25A H25A 119.8 . . ?
C27A C26A C31A 118(2) . . ?
C27A C26A P1A 123.9(17) . . ?
C31A C26A P1A 118.2(16) . . ?
C26A C27A C28A 123(2) . . ?
C26A C27A H27A 118.3 . . ?
C28A C27A H27A 118.3 . . ?
C29A C28A C27A 116(2) . . ?
C29A C28A H28A 121.8 . . ?
C27A C28A H28A 121.8 . . ?
C30A C29A C28A 123(2) . . ?
C30A C29A H29A 118.5 . . ?
C28A C29A H29A 118.5 . . ?
C29A C30A C31A 120(2) . . ?
C29A C30A H30A 120.0 . . ?
C31A C30A H30A 120.0 . . ?
C30A C31A C26A 119(2) . . ?
C30A C31A H31A 120.4 . . ?
C26A C31A H31A 120.4 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 O1 C1 O2 1(3) . . . . ?
Au1 O1 C1 C2 -179.0(13) . . . . ?
O2 C1 C2 C3 -95(2) . . . . ?
O1 C1 C2 C3 85(2) . . . . ?
O2 C1 C2 C11 135(2) . . . . ?
O1 C1 C2 C11 -45(3) . . . . ?
C11 C2 C3 C4 -140(2) . . . . ?
C1 C2 C3 C4 92(3) . . . . ?
C11 C2 C3 C8 43(3) . . . . ?
C1 C2 C3 C8 -85(2) . . . . ?
C8 C3 C4 C5 -1(3) . . . . ?
C2 C3 C4 C5 -178(2) . . . . ?
C3 C4 C5 C6 1(4) . . . . ?
C4 C5 C6 C7 -2(4) . . . . ?
C4 C5 C6 C9 173(2) . . . . ?
C5 C6 C7 C8 2(4) . . . . ?
C9 C6 C7 C8 -173(2) . . . . ?
C6 C7 C8 C3 -2(4) . . . . ?
C4 C3 C8 C7 1(3) . . . . ?
C2 C3 C8 C7 178(2) . . . . ?
C7 C6 C9 C10 -77(4) . . . . ?
C5 C6 C9 C10 108(3) . . . . ?
C6 C9 C10 C13 -66(4) . . . . ?
C6 C9 C10 C12 167(3) . . . . ?
C20 P1 C14 C15 145.3(16) . . . . ?
C26 P1 C14 C15 -103.1(17) . . . . ?
Au1 P1 C14 C15 22.3(18) . . . . ?
C20 P1 C14 C19 -33.4(18) . . . . ?
C26 P1 C14 C19 78.2(17) . . . . ?
Au1 P1 C14 C19 -156.3(14) . . . . ?
C19 C14 C15 C16 -2(3) . . . . ?
P1 C14 C15 C16 178.9(16) . . . . ?
C14 C15 C16 C17 -1(3) . . . . ?
C15 C16 C17 C18 4(4) . . . . ?
C16 C17 C18 C19 -5(4) . . . . ?
C17 C18 C19 C14 2(3) . . . . ?
C15 C14 C19 C18 2(3) . . . . ?
P1 C14 C19 C18 -179.7(17) . . . . ?
C26 P1 C20 C21 160.8(17) . . . . ?
C14 P1 C20 C21 -86.2(18) . . . . ?
Au1 P1 C20 C21 37.1(18) . . . . ?
C26 P1 C20 C25 -23(2) . . . . ?
C14 P1 C20 C25 90.4(19) . . . . ?
Au1 P1 C20 C25 -146.3(16) . . . . ?
C25 C20 C21 C22 2(3) . . . . ?
P1 C20 C21 C22 179(2) . . . . ?
C20 C21 C22 C23 -3(4) . . . . ?
C21 C22 C23 C24 4(4) . . . . ?
C22 C23 C24 C25 -4(4) . . . . ?
C23 C24 C25 C20 3(4) . . . . ?
C21 C20 C25 C24 -2(3) . . . . ?
P1 C20 C25 C24 -178.6(18) . . . . ?
C20 P1 C26 C27 90.8(19) . . . . ?
C14 P1 C26 C27 -21(2) . . . . ?
Au1 P1 C26 C27 -146.0(17) . . . . ?
C20 P1 C26 C31 -85.8(18) . . . . ?
C14 P1 C26 C31 162.9(17) . . . . ?
Au1 P1 C26 C31 37.4(18) . . . . ?
C31 C26 C27 C28 -1(3) . . . . ?
P1 C26 C27 C28 -177.2(17) . . . . ?
C26 C27 C28 C29 2(4) . . . . ?
C27 C28 C29 C30 -2(4) . . . . ?
C28 C29 C30 C31 1(4) . . . . ?
C29 C30 C31 C26 0(4) . . . . ?
C27 C26 C31 C30 0(3) . . . . ?
P1 C26 C31 C30 176.7(18) . . . . ?
Au1A O1A C1A O2A 0(3) . . . . ?
Au1A O1A C1A C2A 179.9(14) . . . . ?
O2A C1A C2A C3A 77(3) . . . . ?
O1A C1A C2A C3A -103(3) . . . . ?
O2A C1A C2A C11A -48(3) . . . . ?
O1A C1A C2A C11A 132(2) . . . . ?
C11A C2A C3A C8A 35(4) . . . . ?
C1A C2A C3A C8A -89(3) . . . . ?
C11A C2A C3A C4A -150(2) . . . . ?
C1A C2A C3A C4A 86(3) . . . . ?
C8A C3A C4A C5A -1(4) . . . . ?
C2A C3A C4A C5A -177(2) . . . . ?
C3A C4A C5A C6A 5(4) . . . . ?
C4A C5A C6A C7A -8(4) . . . . ?
C4A C5A C6A C9A 172(2) . . . . ?
C5A C6A C7A C8A 8(4) . . . . ?
C9A C6A C7A C8A -173(2) . . . . ?
C6A C7A C8A C3A -4(4) . . . . ?
C4A C3A C8A C7A 0(4) . . . . ?
C2A C3A C8A C7A 176(2) . . . . ?
C7A C6A C9A C10A -106(4) . . . . ?
C5A C6A C9A C10A 73(4) . . . . ?
C6A C9A C10A C12A -172(3) . . . . ?
C6A C9A C10A C13A 54(4) . . . . ?
C20A P1A C14A C15A -150.8(18) . . . . ?
C26A P1A C14A C15A 95(2) . . . . ?
Au1A P1A C14A C15A -29(2) . . . . ?
C20A P1A C14A C19A 27(2) . . . . ?
C26A P1A C14A C19A -86.9(19) . . . . ?
Au1A P1A C14A C19A 148.3(16) . . . . ?
C19A C14A C15A C16A 9(4) . . . . ?
P1A C14A C15A C16A -174(2) . . . . ?
C14A C15A C16A C17A -8(4) . . . . ?
C15A C16A C17A C18A 5(4) . . . . ?
C16A C17A C18A C19A -2(4) . . . . ?
C15A C14A C19A C18A -6(3) . . . . ?
P1A C14A C19A C18A 176.4(15) . . . . ?
C17A C18A C19A C14A 3(3) . . . . ?
C14A P1A C20A C25A -99(2) . . . . ?
C26A P1A C20A C25A 10(2) . . . . ?
Au1A P1A C20A C25A 140.7(18) . . . . ?
C14A P1A C20A C21A 78.9(18) . . . . ?
C26A P1A C20A C21A -171.4(17) . . . . ?
Au1A P1A C20A C21A -41.1(18) . . . . ?
C25A C20A C21A C22A 5(3) . . . . ?
P1A C20A C21A C22A -173.4(17) . . . . ?
C20A C21A C22A C23A -3(4) . . . . ?
C21A C22A C23A C24A 3(4) . . . . ?
C22A C23A C24A C25A -4(4) . . . . ?
C21A C20A C25A C24A -6(4) . . . . ?
P1A C20A C25A C24A 172.3(19) . . . . ?
C23A C24A C25A C20A 5(4) . . . . ?
C20A P1A C26A C27A -65(2) . . . . ?
C14A P1A C26A C27A 46(2) . . . . ?
Au1A P1A C26A C27A 167.2(16) . . . . ?
C20A P1A C26A C31A 110.4(17) . . . . ?
C14A P1A C26A C31A -138.4(16) . . . . ?
Au1A P1A C26A C31A -17.7(19) . . . . ?
C31A C26A C27A C28A 5(3) . . . . ?
P1A C26A C27A C28A -179.6(19) . . . . ?
C26A C27A C28A C29A -3(4) . . . . ?
C27A C28A C29A C30A 1(4) . . . . ?
C28A C29A C30A C31A -2(4) . . . . ?
C29A C30A C31A C26A 4(3) . . . . ?
C27A C26A C31A C30A -6(3) . . . . ?
P1A C26A C31A C30A 178.7(17) . . . . ?

_refine_diff_density_max         4.241
_refine_diff_density_min         -2.061
_refine_diff_density_rms         0.221




####################################################################### 
# 
# 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_21030
_database_code_depnum_ccdc_archive 'CCDC 2175743'
loop_
_audit_author_name
_audit_author_address
'Kuldip Singh'
;University of Leicester
United Kingdom
;
_audit_update_record             
;
2022-05-30 deposited with the CCDC.	2022-12-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C31 H22 Au F2 O3 P'
_chemical_formula_sum            'C31 H22 Au F2 O3 P'
_chemical_formula_weight         708.42

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      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                   11.632(3)
_cell_length_b                   11.016(3)
_cell_length_c                   20.856(5)
_cell_angle_alpha                90
_cell_angle_beta                 100.801(5)
_cell_angle_gamma                90
_cell_volume                     2625.0(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    787
_cell_measurement_theta_min      2.631
_cell_measurement_theta_max      25.924

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.793
_exptl_crystal_F_000             1376
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.06
_exptl_absorpt_coefficient_mu    5.711
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.208
_exptl_absorpt_correction_T_max  0.831
_exptl_absorpt_process_details   
;
absorption correction based on 6798 reflections(SADABS);Rint 0.1723 before
correction and 0.0722 after.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker Apex 2000 CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            19994
_diffrn_reflns_av_unetI/netI     0.1031
_diffrn_reflns_av_R_equivalents  0.1375
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.871
_diffrn_reflns_theta_max         25.996
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             5156
_reflns_number_gt                3555
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0371P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5156
_refine_ls_number_parameters     344
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0811
_refine_ls_R_factor_gt           0.0520
_refine_ls_wR_factor_ref         0.1035
_refine_ls_wR_factor_gt          0.0944
_refine_ls_goodness_of_fit_ref   0.923
_refine_ls_restrained_S_all      0.923
_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 0.50448(2) 0.87799(3) 0.11073(2) 0.04041(12) Uani 1 1 d . . . . .
F1 F 0.9098(4) 0.6581(4) -0.0003(2) 0.0537(13) Uani 1 1 d . . . . .
F2 F 1.3047(5) 0.6545(6) -0.0162(4) 0.107(2) Uani 1 1 d . . . . .
O1 O 0.6486(4) 0.7679(6) 0.1195(2) 0.0470(14) Uani 1 1 d . . . . .
O2 O 0.5986(5) 0.6694(5) 0.2028(3) 0.0548(16) Uani 1 1 d . . . . .
O3 O 0.7239(6) 0.4904(6) 0.2541(3) 0.0590(17) Uani 1 1 d . . . . .
H3 H 0.665117 0.536049 0.246764 0.088 Uiso 1 1 calc R U . . .
P1 P 0.35932(16) 1.0103(2) 0.09366(9) 0.0362(5) Uani 1 1 d . . . . .
C1 C 0.6682(7) 0.6894(8) 0.1642(4) 0.0410(19) Uani 1 1 d . . . . .
C2 C 0.7775(6) 0.6163(7) 0.1697(3) 0.0356(17) Uani 1 1 d . . . . .
C3 C 0.7977(7) 0.5197(8) 0.2136(3) 0.046(2) Uani 1 1 d . . . . .
C4 C 0.8970(9) 0.4475(8) 0.2146(4) 0.056(2) Uani 1 1 d . . . . .
H4 H 0.910165 0.378748 0.242523 0.067 Uiso 1 1 calc R U . . .
C5 C 0.9756(7) 0.4764(8) 0.1752(4) 0.049(2) Uani 1 1 d . . . . .
H5 H 1.043808 0.428000 0.177378 0.058 Uiso 1 1 calc R U . . .
C6 C 0.9585(7) 0.5724(7) 0.1329(4) 0.0391(18) Uani 1 1 d . . . . .
C7 C 0.8578(6) 0.6423(7) 0.1304(3) 0.0325(16) Uani 1 1 d . . . . .
H7 H 0.844061 0.709111 0.101193 0.039 Uiso 1 1 calc R U . . .
C8 C 1.0491(7) 0.6037(7) 0.0929(4) 0.047(2) Uani 1 1 d . . . . .
C9 C 1.0249(7) 0.6442(7) 0.0294(4) 0.045(2) Uani 1 1 d . . . . .
C10 C 1.1076(9) 0.6614(8) -0.0088(5) 0.059(2) Uani 1 1 d . . . . .
H10 H 1.088184 0.687141 -0.053033 0.071 Uiso 1 1 calc R U . . .
C11 C 1.2228(9) 0.6381(9) 0.0225(6) 0.070(3) Uani 1 1 d . . . . .
C12 C 1.2535(9) 0.6046(10) 0.0844(6) 0.081(3) Uani 1 1 d . . . . .
H12 H 1.333485 0.593029 0.103547 0.097 Uiso 1 1 calc R U . . .
C13 C 1.1672(7) 0.5871(9) 0.1201(5) 0.061(3) Uani 1 1 d . . . . .
H13 H 1.188265 0.563036 0.164462 0.074 Uiso 1 1 calc R U . . .
C14 C 0.2642(6) 1.0090(8) 0.1538(3) 0.0366(18) Uani 1 1 d . . . . .
C15 C 0.2371(7) 0.8974(8) 0.1783(4) 0.047(2) Uani 1 1 d . . . . .
H15 H 0.270398 0.824964 0.165154 0.057 Uiso 1 1 calc R U . . .
C16 C 0.1603(7) 0.8927(9) 0.2225(4) 0.054(2) Uani 1 1 d . . . . .
H16 H 0.140280 0.816823 0.239144 0.065 Uiso 1 1 calc R U . . .
C17 C 0.1134(6) 0.9997(9) 0.2419(4) 0.048(2) Uani 1 1 d . . . . .
H17 H 0.063191 0.996729 0.272902 0.058 Uiso 1 1 calc R U . . .
C18 C 0.1387(6) 1.1092(9) 0.2169(4) 0.046(2) Uani 1 1 d . . . . .
H18 H 0.105084 1.181595 0.229887 0.056 Uiso 1 1 calc R U . . .
C19 C 0.2140(6) 1.1140(8) 0.1721(4) 0.0404(18) Uani 1 1 d . . . . .
H19 H 0.230840 1.189772 0.154197 0.048 Uiso 1 1 calc R U . . .
C20 C 0.2656(6) 0.9950(7) 0.0140(3) 0.0359(18) Uani 1 1 d . . . . .
C21 C 0.1569(7) 1.0486(8) 0.0001(4) 0.044(2) Uani 1 1 d . . . . .
H21 H 0.127419 1.091031 0.033212 0.053 Uiso 1 1 calc R U . . .
C22 C 0.0902(6) 1.0406(9) -0.0626(4) 0.053(2) Uani 1 1 d . . . . .
H22 H 0.014712 1.076727 -0.072167 0.063 Uiso 1 1 calc R U . . .
C23 C 0.1328(7) 0.9817(10) -0.1096(4) 0.063(3) Uani 1 1 d . . . . .
H23 H 0.088467 0.979760 -0.152717 0.076 Uiso 1 1 calc R U . . .
C24 C 0.2410(7) 0.9233(9) -0.0959(4) 0.058(3) Uani 1 1 d . . . . .
H24 H 0.267860 0.877786 -0.128875 0.070 Uiso 1 1 calc R U . . .
C25 C 0.3092(6) 0.9321(8) -0.0341(3) 0.045(2) Uani 1 1 d . . . . .
H25 H 0.384561 0.895744 -0.024627 0.055 Uiso 1 1 calc R U . . .
C26 C 0.4158(6) 1.1636(7) 0.0954(4) 0.0399(19) Uani 1 1 d . . . . .
C27 C 0.3892(7) 1.2452(8) 0.0453(4) 0.045(2) Uani 1 1 d . . . . .
H27 H 0.334527 1.223748 0.007201 0.054 Uiso 1 1 calc R U . . .
C28 C 0.4408(8) 1.3578(9) 0.0497(5) 0.062(3) Uani 1 1 d . . . . .
H28 H 0.423080 1.412860 0.014134 0.074 Uiso 1 1 calc R U . . .
C29 C 0.5190(8) 1.3919(9) 0.1060(5) 0.062(3) Uani 1 1 d . . . . .
H29 H 0.552864 1.470651 0.109989 0.074 Uiso 1 1 calc R U . . .
C30 C 0.5452(8) 1.3101(10) 0.1547(5) 0.062(3) Uani 1 1 d . . . . .
H30 H 0.599973 1.332222 0.192670 0.075 Uiso 1 1 calc R U . . .
C31 C 0.4973(7) 1.1987(9) 0.1518(4) 0.052(2) Uani 1 1 d . . . . .
H31 H 0.517790 1.143847 0.187303 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 O1 2.049(5) . ?
Au1 P1 2.208(2) . ?
F1 C9 1.375(9) . ?
F2 C11 1.371(10) . ?
O1 C1 1.261(9) . ?
O2 C1 1.263(8) . ?
O3 C3 1.351(9) . ?
O3 H3 0.8400 . ?
P1 C26 1.810(8) . ?
P1 C20 1.817(7) . ?
P1 C14 1.822(7) . ?
C1 C2 1.491(11) . ?
C2 C7 1.383(9) . ?
C2 C3 1.394(11) . ?
C3 C4 1.399(12) . ?
C4 C5 1.377(11) . ?
C4 H4 0.9500 . ?
C5 C6 1.368(11) . ?
C5 H5 0.9500 . ?
C6 C7 1.395(10) . ?
C6 C8 1.501(11) . ?
C7 H7 0.9500 . ?
C8 C9 1.374(11) . ?
C8 C13 1.397(11) . ?
C9 C10 1.373(11) . ?
C10 C11 1.400(14) . ?
C10 H10 0.9500 . ?
C11 C12 1.325(14) . ?
C12 C13 1.371(14) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C19 1.380(10) . ?
C14 C15 1.390(11) . ?
C15 C16 1.400(11) . ?
C15 H15 0.9500 . ?
C16 C17 1.390(12) . ?
C16 H16 0.9500 . ?
C17 C18 1.368(11) . ?
C17 H17 0.9500 . ?
C18 C19 1.396(10) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C21 1.376(10) . ?
C20 C25 1.390(10) . ?
C21 C22 1.392(10) . ?
C21 H21 0.9500 . ?
C22 C23 1.345(11) . ?
C22 H22 0.9500 . ?
C23 C24 1.395(12) . ?
C23 H23 0.9500 . ?
C24 C25 1.385(10) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 C27 1.369(11) . ?
C26 C31 1.420(10) . ?
C27 C28 1.374(11) . ?
C27 H27 0.9500 . ?
C28 C29 1.396(12) . ?
C28 H28 0.9500 . ?
C29 C30 1.348(13) . ?
C29 H29 0.9500 . ?
C30 C31 1.346(12) . ?
C30 H30 0.9500 . ?
C31 H31 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
O1 Au1 P1 173.20(17) . . ?
C1 O1 Au1 120.3(5) . . ?
C3 O3 H3 109.5 . . ?
C26 P1 C20 104.9(4) . . ?
C26 P1 C14 105.0(4) . . ?
C20 P1 C14 106.9(3) . . ?
C26 P1 Au1 110.4(2) . . ?
C20 P1 Au1 113.4(3) . . ?
C14 P1 Au1 115.4(3) . . ?
O1 C1 O2 122.8(8) . . ?
O1 C1 C2 117.5(6) . . ?
O2 C1 C2 119.7(8) . . ?
C7 C2 C3 119.9(7) . . ?
C7 C2 C1 120.2(7) . . ?
C3 C2 C1 119.9(7) . . ?
O3 C3 C2 123.0(8) . . ?
O3 C3 C4 118.3(8) . . ?
C2 C3 C4 118.7(7) . . ?
C5 C4 C3 119.9(8) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C6 C5 C4 122.1(8) . . ?
C6 C5 H5 118.9 . . ?
C4 C5 H5 118.9 . . ?
C5 C6 C7 118.0(7) . . ?
C5 C6 C8 120.3(7) . . ?
C7 C6 C8 121.6(7) . . ?
C2 C7 C6 121.3(7) . . ?
C2 C7 H7 119.3 . . ?
C6 C7 H7 119.3 . . ?
C9 C8 C13 116.2(8) . . ?
C9 C8 C6 124.8(7) . . ?
C13 C8 C6 118.9(8) . . ?
C10 C9 C8 124.4(8) . . ?
C10 C9 F1 116.8(8) . . ?
C8 C9 F1 118.4(7) . . ?
C9 C10 C11 114.6(9) . . ?
C9 C10 H10 122.7 . . ?
C11 C10 H10 122.7 . . ?
C12 C11 F2 121.3(10) . . ?
C12 C11 C10 124.4(9) . . ?
F2 C11 C10 114.3(11) . . ?
C11 C12 C13 118.5(9) . . ?
C11 C12 H12 120.8 . . ?
C13 C12 H12 120.8 . . ?
C12 C13 C8 121.7(10) . . ?
C12 C13 H13 119.1 . . ?
C8 C13 H13 119.1 . . ?
C19 C14 C15 120.2(7) . . ?
C19 C14 P1 121.8(6) . . ?
C15 C14 P1 117.9(6) . . ?
C14 C15 C16 119.4(8) . . ?
C14 C15 H15 120.3 . . ?
C16 C15 H15 120.3 . . ?
C17 C16 C15 119.5(8) . . ?
C17 C16 H16 120.2 . . ?
C15 C16 H16 120.2 . . ?
C18 C17 C16 120.9(8) . . ?
C18 C17 H17 119.6 . . ?
C16 C17 H17 119.6 . . ?
C17 C18 C19 119.7(8) . . ?
C17 C18 H18 120.2 . . ?
C19 C18 H18 120.2 . . ?
C14 C19 C18 120.2(8) . . ?
C14 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
C21 C20 C25 120.5(7) . . ?
C21 C20 P1 121.6(6) . . ?
C25 C20 P1 117.9(5) . . ?
C20 C21 C22 120.0(8) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C23 C22 C21 119.8(8) . . ?
C23 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C22 C23 C24 121.1(7) . . ?
C22 C23 H23 119.5 . . ?
C24 C23 H23 119.5 . . ?
C25 C24 C23 119.7(8) . . ?
C25 C24 H24 120.1 . . ?
C23 C24 H24 120.1 . . ?
C24 C25 C20 118.9(8) . . ?
C24 C25 H25 120.6 . . ?
C20 C25 H25 120.6 . . ?
C27 C26 C31 118.3(8) . . ?
C27 C26 P1 124.6(6) . . ?
C31 C26 P1 117.0(6) . . ?
C26 C27 C28 120.6(8) . . ?
C26 C27 H27 119.7 . . ?
C28 C27 H27 119.7 . . ?
C27 C28 C29 120.4(9) . . ?
C27 C28 H28 119.8 . . ?
C29 C28 H28 119.8 . . ?
C30 C29 C28 118.3(9) . . ?
C30 C29 H29 120.9 . . ?
C28 C29 H29 120.9 . . ?
C31 C30 C29 122.9(10) . . ?
C31 C30 H30 118.6 . . ?
C29 C30 H30 118.6 . . ?
C30 C31 C26 119.5(9) . . ?
C30 C31 H31 120.3 . . ?
C26 C31 H31 120.3 . . ?

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 O1 C1 O2 4.3(10) . . . . ?
Au1 O1 C1 C2 -177.2(5) . . . . ?
O1 C1 C2 C7 5.4(10) . . . . ?
O2 C1 C2 C7 -176.1(7) . . . . ?
O1 C1 C2 C3 -173.2(7) . . . . ?
O2 C1 C2 C3 5.3(11) . . . . ?
C7 C2 C3 O3 178.9(7) . . . . ?
C1 C2 C3 O3 -2.5(11) . . . . ?
C7 C2 C3 C4 -2.8(11) . . . . ?
C1 C2 C3 C4 175.7(7) . . . . ?
O3 C3 C4 C5 -178.4(7) . . . . ?
C2 C3 C4 C5 3.3(12) . . . . ?
C3 C4 C5 C6 -1.9(13) . . . . ?
C4 C5 C6 C7 0.1(12) . . . . ?
C4 C5 C6 C8 177.3(8) . . . . ?
C3 C2 C7 C6 1.0(11) . . . . ?
C1 C2 C7 C6 -177.5(7) . . . . ?
C5 C6 C7 C2 0.4(11) . . . . ?
C8 C6 C7 C2 -176.8(7) . . . . ?
C5 C6 C8 C9 142.5(9) . . . . ?
C7 C6 C8 C9 -40.4(12) . . . . ?
C5 C6 C8 C13 -34.9(11) . . . . ?
C7 C6 C8 C13 142.2(8) . . . . ?
C13 C8 C9 C10 4.1(12) . . . . ?
C6 C8 C9 C10 -173.4(8) . . . . ?
C13 C8 C9 F1 177.8(7) . . . . ?
C6 C8 C9 F1 0.4(12) . . . . ?
C8 C9 C10 C11 -2.0(13) . . . . ?
F1 C9 C10 C11 -175.8(7) . . . . ?
C9 C10 C11 C12 -1.5(15) . . . . ?
C9 C10 C11 F2 179.5(8) . . . . ?
F2 C11 C12 C13 -178.6(9) . . . . ?
C10 C11 C12 C13 2.5(17) . . . . ?
C11 C12 C13 C8 -0.1(16) . . . . ?
C9 C8 C13 C12 -3.0(13) . . . . ?
C6 C8 C13 C12 174.6(9) . . . . ?
C26 P1 C14 C19 23.6(7) . . . . ?
C20 P1 C14 C19 -87.5(7) . . . . ?
Au1 P1 C14 C19 145.4(5) . . . . ?
C26 P1 C14 C15 -160.3(6) . . . . ?
C20 P1 C14 C15 88.6(6) . . . . ?
Au1 P1 C14 C15 -38.5(6) . . . . ?
C19 C14 C15 C16 -1.2(11) . . . . ?
P1 C14 C15 C16 -177.3(6) . . . . ?
C14 C15 C16 C17 -0.8(12) . . . . ?
C15 C16 C17 C18 1.9(12) . . . . ?
C16 C17 C18 C19 -1.1(11) . . . . ?
C15 C14 C19 C18 2.0(11) . . . . ?
P1 C14 C19 C18 178.0(5) . . . . ?
C17 C18 C19 C14 -0.9(11) . . . . ?
C26 P1 C20 C21 -74.9(7) . . . . ?
C14 P1 C20 C21 36.3(8) . . . . ?
Au1 P1 C20 C21 164.6(6) . . . . ?
C26 P1 C20 C25 102.1(7) . . . . ?
C14 P1 C20 C25 -146.8(6) . . . . ?
Au1 P1 C20 C25 -18.5(7) . . . . ?
C25 C20 C21 C22 -0.4(12) . . . . ?
P1 C20 C21 C22 176.4(6) . . . . ?
C20 C21 C22 C23 -0.8(13) . . . . ?
C21 C22 C23 C24 2.9(15) . . . . ?
C22 C23 C24 C25 -3.9(15) . . . . ?
C23 C24 C25 C20 2.7(14) . . . . ?
C21 C20 C25 C24 -0.6(13) . . . . ?
P1 C20 C25 C24 -177.6(7) . . . . ?
C20 P1 C26 C27 0.1(7) . . . . ?
C14 P1 C26 C27 -112.4(7) . . . . ?
Au1 P1 C26 C27 122.6(6) . . . . ?
C20 P1 C26 C31 -177.1(6) . . . . ?
C14 P1 C26 C31 70.4(6) . . . . ?
Au1 P1 C26 C31 -54.6(6) . . . . ?
C31 C26 C27 C28 0.4(11) . . . . ?
P1 C26 C27 C28 -176.8(6) . . . . ?
C26 C27 C28 C29 -1.6(12) . . . . ?
C27 C28 C29 C30 2.2(13) . . . . ?
C28 C29 C30 C31 -1.6(13) . . . . ?
C29 C30 C31 C26 0.4(13) . . . . ?
C27 C26 C31 C30 0.3(11) . . . . ?
P1 C26 C31 C30 177.6(6) . . . . ?

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
_geom_hbond_publ_flag
O3 H3 O2 0.84 1.83 2.565(9) 145.9 . yes

_refine_diff_density_max         1.765
_refine_diff_density_min         -1.358
_refine_diff_density_rms         0.174




####################################################################### 
# 
# 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_21027
_database_code_depnum_ccdc_archive 'CCDC 2175741'
loop_
_audit_author_name
_audit_author_address
'Kuldip Singh'
;University of Leicester
United Kingdom
;
_audit_update_record             
;
2022-05-30 deposited with the CCDC.	2022-12-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C37 H30 Au Cl N O4 P'
_chemical_formula_sum            'C37 H30 Au Cl N O4 P'
_chemical_formula_weight         816.00

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'
N N 0.0061 0.0033 '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/c'
_space_group_name_Hall           '-P 2ybc'

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

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

_cell_length_a                   16.005(6)
_cell_length_b                   12.135(4)
_cell_length_c                   16.626(6)
_cell_angle_alpha                90
_cell_angle_beta                 99.248(6)
_cell_angle_gamma                90
_cell_volume                     3187.2(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    985
_cell_measurement_theta_min      2.483
_cell_measurement_theta_max      26.726

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.701
_exptl_crystal_F_000             1608
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.05
_exptl_absorpt_coefficient_mu    4.792
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.403
_exptl_absorpt_correction_T_max  0.831
_exptl_absorpt_process_details   
;
absoprtion correction based on 12054 reflections(SADABS);Rint 0.1671 before
correction and 0.0633 after.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker Apex 2000 CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            24071
_diffrn_reflns_av_unetI/netI     0.0684
_diffrn_reflns_av_R_equivalents  0.0894
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.087
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6246
_reflns_number_gt                4846
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0462P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6246
_refine_ls_number_parameters     408
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0578
_refine_ls_R_factor_gt           0.0426
_refine_ls_wR_factor_ref         0.0952
_refine_ls_wR_factor_gt          0.0910
_refine_ls_goodness_of_fit_ref   0.987
_refine_ls_restrained_S_all      0.987
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.40762(2) 0.62766(2) 0.17234(2) 0.02036(9) Uani 1 1 d . . . . .
Cl1 Cl -0.24686(11) 1.11588(12) 0.01488(12) 0.0409(4) Uani 1 1 d . . . . .
O1 O 0.2979(3) 0.6646(3) 0.0937(2) 0.0274(9) Uani 1 1 d . . . . .
O2 O 0.2297(3) 0.6124(5) 0.1918(3) 0.0536(15) Uani 1 1 d . . . . .
O3 O 0.0461(3) 0.2203(3) 0.0984(3) 0.0313(10) Uani 1 1 d . . . . .
O4 O -0.1527(3) 0.6511(4) 0.2248(3) 0.0390(12) Uani 1 1 d . . . . .
P1 P 0.52261(10) 0.56866(12) 0.25255(9) 0.0195(3) Uani 1 1 d . . . . .
N1 N -0.0467(3) 0.6492(4) 0.1492(3) 0.0235(11) Uani 1 1 d . . . . .
C1 C 0.2306(4) 0.6381(4) 0.1229(3) 0.0207(12) Uani 1 1 d . . . . .
C2 C 0.1507(4) 0.6413(4) 0.0589(3) 0.0210(12) Uani 1 1 d . . . . .
H2A H 0.147198 0.713940 0.031499 0.025 Uiso 1 1 calc R U . . .
H2B H 0.155355 0.584397 0.017153 0.025 Uiso 1 1 calc R U . . .
C3 C 0.0709(3) 0.6223(4) 0.0929(3) 0.0191(11) Uani 1 1 d . . . . .
C4 C 0.0207(4) 0.7004(5) 0.1167(3) 0.0226(13) Uani 1 1 d . . . . .
C5 C -0.0336(4) 0.5327(4) 0.1469(3) 0.0206(12) Uani 1 1 d . . . . .
C6 C 0.0373(3) 0.5163(4) 0.1092(3) 0.0192(12) Uani 1 1 d . . . . .
C7 C 0.0635(4) 0.4100(4) 0.0947(3) 0.0213(12) Uani 1 1 d . . . . .
H7 H 0.112540 0.397666 0.070423 0.026 Uiso 1 1 calc R U . . .
C8 C 0.0167(4) 0.3230(5) 0.1163(3) 0.0240(13) Uani 1 1 d . . . . .
C9 C -0.0548(4) 0.3407(5) 0.1529(4) 0.0269(14) Uani 1 1 d . . . . .
H9 H -0.086230 0.279276 0.167271 0.032 Uiso 1 1 calc R U . . .
C10 C -0.0806(4) 0.4461(5) 0.1686(3) 0.0269(14) Uani 1 1 d . . . . .
H10 H -0.129192 0.458245 0.193564 0.032 Uiso 1 1 calc R U . . .
C11 C -0.1159(4) 0.6974(5) 0.1760(3) 0.0269(14) Uani 1 1 d . . . . .
C12 C -0.1468(4) 0.8035(5) 0.1379(4) 0.0273(14) Uani 1 1 d . . . . .
C13 C -0.1638(4) 0.8920(5) 0.1845(4) 0.0302(15) Uani 1 1 d . . . . .
H13 H -0.154321 0.886214 0.242241 0.036 Uiso 1 1 calc R U . . .
C14 C -0.1950(4) 0.9903(5) 0.1475(4) 0.0314(15) Uani 1 1 d . . . . .
H14 H -0.205904 1.052363 0.179047 0.038 Uiso 1 1 calc R U . . .
C15 C -0.2091(4) 0.9938(5) 0.0641(4) 0.0279(14) Uani 1 1 d . . . . .
C16 C -0.1944(4) 0.9053(5) 0.0150(4) 0.0328(15) Uani 1 1 d . . . . .
H16 H -0.205935 0.910085 -0.042724 0.039 Uiso 1 1 calc R U . . .
C17 C -0.1623(4) 0.8106(5) 0.0539(4) 0.0372(17) Uani 1 1 d . . . . .
H17 H -0.150544 0.748955 0.022283 0.045 Uiso 1 1 calc R U . . .
C18 C 0.0350(4) 0.8217(5) 0.1180(4) 0.0288(14) Uani 1 1 d . . . . .
H18A H 0.093859 0.836960 0.112012 0.043 Uiso 1 1 calc R U . . .
H18B H 0.023796 0.852001 0.169825 0.043 Uiso 1 1 calc R U . . .
H18C H -0.003121 0.856027 0.072910 0.043 Uiso 1 1 calc R U . . .
C19 C -0.0011(5) 0.1263(5) 0.1164(4) 0.0389(17) Uani 1 1 d . . . . .
H19A H -0.002073 0.123148 0.175147 0.058 Uiso 1 1 calc R U . . .
H19B H 0.025496 0.059317 0.099360 0.058 Uiso 1 1 calc R U . . .
H19C H -0.059174 0.131713 0.087049 0.058 Uiso 1 1 calc R U . . .
C20 C 0.5904(3) 0.6748(5) 0.3059(3) 0.0178(12) Uani 1 1 d . . . . .
C21 C 0.5518(4) 0.7553(4) 0.3480(3) 0.0209(12) Uani 1 1 d . . . . .
H21 H 0.492513 0.753026 0.348407 0.025 Uiso 1 1 calc R U . . .
C22 C 0.6007(4) 0.8381(5) 0.3889(3) 0.0245(13) Uani 1 1 d . . . . .
H22 H 0.575077 0.892498 0.418006 0.029 Uiso 1 1 calc R U . . .
C23 C 0.6858(4) 0.8419(5) 0.3875(3) 0.0274(14) Uani 1 1 d . . . . .
H23 H 0.718898 0.899260 0.415443 0.033 Uiso 1 1 calc R U . . .
C24 C 0.7240(4) 0.7631(5) 0.3458(3) 0.0264(14) Uani 1 1 d . . . . .
H24 H 0.783433 0.765528 0.346194 0.032 Uiso 1 1 calc R U . . .
C25 C 0.6764(4) 0.6815(5) 0.3038(3) 0.0231(13) Uani 1 1 d . . . . .
H25 H 0.702489 0.629318 0.273099 0.028 Uiso 1 1 calc R U . . .
C26 C 0.5905(3) 0.4882(4) 0.1975(3) 0.0208(12) Uani 1 1 d . . . . .
C27 C 0.5920(4) 0.5134(5) 0.1175(4) 0.0285(14) Uani 1 1 d . . . . .
H27 H 0.558056 0.572041 0.092407 0.034 Uiso 1 1 calc R U . . .
C28 C 0.6428(5) 0.4543(6) 0.0729(4) 0.0405(17) Uani 1 1 d . . . . .
H28 H 0.644029 0.472963 0.017613 0.049 Uiso 1 1 calc R U . . .
C29 C 0.6916(4) 0.3679(5) 0.1088(4) 0.0365(16) Uani 1 1 d . . . . .
H29 H 0.725751 0.326698 0.077895 0.044 Uiso 1 1 calc R U . . .
C30 C 0.6907(4) 0.3414(5) 0.1894(4) 0.0337(16) Uani 1 1 d . . . . .
H30 H 0.724063 0.282213 0.214346 0.040 Uiso 1 1 calc R U . . .
C31 C 0.6406(4) 0.4023(5) 0.2333(4) 0.0264(14) Uani 1 1 d . . . . .
H31 H 0.640412 0.385115 0.289041 0.032 Uiso 1 1 calc R U . . .
C32 C 0.4939(4) 0.4790(4) 0.3311(3) 0.0234(13) Uani 1 1 d . . . . .
C33 C 0.5520(4) 0.4553(5) 0.4007(4) 0.0310(15) Uani 1 1 d . . . . .
H33 H 0.605568 0.490803 0.410128 0.037 Uiso 1 1 calc R U . . .
C34 C 0.5306(5) 0.3793(6) 0.4560(4) 0.0403(17) Uani 1 1 d . . . . .
H34 H 0.569817 0.362199 0.503533 0.048 Uiso 1 1 calc R U . . .
C35 C 0.4524(4) 0.3281(5) 0.4423(4) 0.0351(16) Uani 1 1 d . . . . .
H35 H 0.438429 0.275479 0.480326 0.042 Uiso 1 1 calc R U . . .
C36 C 0.3946(4) 0.3527(5) 0.3741(4) 0.0303(15) Uani 1 1 d . . . . .
H36 H 0.340838 0.317511 0.365499 0.036 Uiso 1 1 calc R U . . .
C37 C 0.4147(4) 0.4291(5) 0.3178(4) 0.0257(13) Uani 1 1 d . . . . .
H37 H 0.374796 0.446879 0.270903 0.031 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 O1 2.063(4) . ?
Au1 P1 2.2112(16) . ?
Cl1 C15 1.752(6) . ?
O1 C1 1.289(7) . ?
O2 C1 1.189(7) . ?
O3 C8 1.381(7) . ?
O3 C19 1.426(7) . ?
O4 C11 1.215(7) . ?
P1 C26 1.813(5) . ?
P1 C32 1.815(6) . ?
P1 C20 1.820(6) . ?
N1 C11 1.388(7) . ?
N1 C4 1.424(7) . ?
N1 C5 1.430(7) . ?
C1 C2 1.527(8) . ?
C2 C3 1.495(8) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.343(8) . ?
C3 C6 1.436(7) . ?
C4 C18 1.490(8) . ?
C5 C10 1.374(8) . ?
C5 C6 1.397(8) . ?
C6 C7 1.390(8) . ?
C7 C8 1.375(8) . ?
C7 H7 0.9500 . ?
C8 C9 1.397(9) . ?
C9 C10 1.382(9) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C12 1.484(8) . ?
C12 C13 1.377(8) . ?
C12 C17 1.382(8) . ?
C13 C14 1.396(8) . ?
C13 H13 0.9500 . ?
C14 C15 1.370(9) . ?
C14 H14 0.9500 . ?
C15 C16 1.391(8) . ?
C16 C17 1.377(9) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C25 1.385(8) . ?
C20 C21 1.402(8) . ?
C21 C22 1.384(8) . ?
C21 H21 0.9500 . ?
C22 C23 1.366(9) . ?
C22 H22 0.9500 . ?
C23 C24 1.380(8) . ?
C23 H23 0.9500 . ?
C24 C25 1.371(8) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 C27 1.370(8) . ?
C26 C31 1.389(8) . ?
C27 C28 1.385(8) . ?
C27 H27 0.9500 . ?
C28 C29 1.384(9) . ?
C28 H28 0.9500 . ?
C29 C30 1.380(9) . ?
C29 H29 0.9500 . ?
C30 C31 1.382(8) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C32 C37 1.390(8) . ?
C32 C33 1.394(8) . ?
C33 C34 1.382(8) . ?
C33 H33 0.9500 . ?
C34 C35 1.384(10) . ?
C34 H34 0.9500 . ?
C35 C36 1.376(9) . ?
C35 H35 0.9500 . ?
C36 C37 1.392(8) . ?
C36 H36 0.9500 . ?
C37 H37 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
O1 Au1 P1 173.61(12) . . ?
C1 O1 Au1 112.6(3) . . ?
C8 O3 C19 117.8(5) . . ?
C26 P1 C32 106.4(3) . . ?
C26 P1 C20 105.6(3) . . ?
C32 P1 C20 105.9(3) . . ?
C26 P1 Au1 112.2(2) . . ?
C32 P1 Au1 110.2(2) . . ?
C20 P1 Au1 115.97(18) . . ?
C11 N1 C4 129.0(5) . . ?
C11 N1 C5 123.6(5) . . ?
C4 N1 C5 107.4(4) . . ?
O2 C1 O1 124.6(6) . . ?
O2 C1 C2 122.6(5) . . ?
O1 C1 C2 112.8(5) . . ?
C3 C2 C1 113.8(5) . . ?
C3 C2 H2A 108.8 . . ?
C1 C2 H2A 108.8 . . ?
C3 C2 H2B 108.8 . . ?
C1 C2 H2B 108.8 . . ?
H2A C2 H2B 107.7 . . ?
C4 C3 C6 108.4(5) . . ?
C4 C3 C2 126.2(5) . . ?
C6 C3 C2 125.3(5) . . ?
C3 C4 N1 109.2(5) . . ?
C3 C4 C18 127.1(6) . . ?
N1 C4 C18 123.4(5) . . ?
C10 C5 C6 121.8(5) . . ?
C10 C5 N1 131.4(5) . . ?
C6 C5 N1 106.6(5) . . ?
C7 C6 C5 120.0(5) . . ?
C7 C6 C3 131.8(5) . . ?
C5 C6 C3 108.3(5) . . ?
C8 C7 C6 118.4(6) . . ?
C8 C7 H7 120.8 . . ?
C6 C7 H7 120.8 . . ?
C7 C8 O3 114.7(5) . . ?
C7 C8 C9 121.0(6) . . ?
O3 C8 C9 124.3(5) . . ?
C10 C9 C8 121.0(5) . . ?
C10 C9 H9 119.5 . . ?
C8 C9 H9 119.5 . . ?
C5 C10 C9 117.8(6) . . ?
C5 C10 H10 121.1 . . ?
C9 C10 H10 121.1 . . ?
O4 C11 N1 121.1(6) . . ?
O4 C11 C12 121.5(6) . . ?
N1 C11 C12 117.3(5) . . ?
C13 C12 C17 120.0(6) . . ?
C13 C12 C11 121.3(5) . . ?
C17 C12 C11 118.6(5) . . ?
C12 C13 C14 120.5(6) . . ?
C12 C13 H13 119.8 . . ?
C14 C13 H13 119.8 . . ?
C15 C14 C13 117.5(6) . . ?
C15 C14 H14 121.2 . . ?
C13 C14 H14 121.2 . . ?
C14 C15 C16 123.6(6) . . ?
C14 C15 Cl1 119.2(5) . . ?
C16 C15 Cl1 117.2(5) . . ?
C17 C16 C15 117.1(6) . . ?
C17 C16 H16 121.5 . . ?
C15 C16 H16 121.5 . . ?
C16 C17 C12 121.2(6) . . ?
C16 C17 H17 119.4 . . ?
C12 C17 H17 119.4 . . ?
C4 C18 H18A 109.5 . . ?
C4 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C4 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O3 C19 H19A 109.5 . . ?
O3 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
O3 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C25 C20 C21 119.5(5) . . ?
C25 C20 P1 123.1(4) . . ?
C21 C20 P1 117.4(4) . . ?
C22 C21 C20 119.4(6) . . ?
C22 C21 H21 120.3 . . ?
C20 C21 H21 120.3 . . ?
C23 C22 C21 120.2(5) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C22 C23 C24 120.6(6) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 H23 119.7 . . ?
C25 C24 C23 120.1(6) . . ?
C25 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
C24 C25 C20 120.2(6) . . ?
C24 C25 H25 119.9 . . ?
C20 C25 H25 119.9 . . ?
C27 C26 C31 119.0(5) . . ?
C27 C26 P1 118.4(4) . . ?
C31 C26 P1 122.6(4) . . ?
C26 C27 C28 120.5(6) . . ?
C26 C27 H27 119.7 . . ?
C28 C27 H27 119.7 . . ?
C29 C28 C27 120.0(6) . . ?
C29 C28 H28 120.0 . . ?
C27 C28 H28 120.0 . . ?
C30 C29 C28 120.1(6) . . ?
C30 C29 H29 120.0 . . ?
C28 C29 H29 120.0 . . ?
C29 C30 C31 119.1(6) . . ?
C29 C30 H30 120.5 . . ?
C31 C30 H30 120.5 . . ?
C30 C31 C26 121.3(6) . . ?
C30 C31 H31 119.4 . . ?
C26 C31 H31 119.4 . . ?
C37 C32 C33 120.8(5) . . ?
C37 C32 P1 118.5(5) . . ?
C33 C32 P1 120.6(5) . . ?
C34 C33 C32 119.1(6) . . ?
C34 C33 H33 120.5 . . ?
C32 C33 H33 120.5 . . ?
C35 C34 C33 120.3(6) . . ?
C35 C34 H34 119.9 . . ?
C33 C34 H34 119.9 . . ?
C36 C35 C34 120.6(6) . . ?
C36 C35 H35 119.7 . . ?
C34 C35 H35 119.7 . . ?
C35 C36 C37 120.1(6) . . ?
C35 C36 H36 120.0 . . ?
C37 C36 H36 120.0 . . ?
C32 C37 C36 119.2(6) . . ?
C32 C37 H37 120.4 . . ?
C36 C37 H37 120.4 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 O1 C1 O2 11.8(7) . . . . ?
Au1 O1 C1 C2 -167.3(3) . . . . ?
O2 C1 C2 C3 6.9(8) . . . . ?
O1 C1 C2 C3 -174.0(4) . . . . ?
C1 C2 C3 C4 93.7(6) . . . . ?
C1 C2 C3 C6 -83.1(6) . . . . ?
C6 C3 C4 N1 0.2(6) . . . . ?
C2 C3 C4 N1 -177.1(5) . . . . ?
C6 C3 C4 C18 174.4(5) . . . . ?
C2 C3 C4 C18 -2.9(10) . . . . ?
C11 N1 C4 C3 -175.4(6) . . . . ?
C5 N1 C4 C3 2.0(6) . . . . ?
C11 N1 C4 C18 10.1(9) . . . . ?
C5 N1 C4 C18 -172.5(5) . . . . ?
C11 N1 C5 C10 -0.4(10) . . . . ?
C4 N1 C5 C10 -178.0(6) . . . . ?
C11 N1 C5 C6 174.2(5) . . . . ?
C4 N1 C5 C6 -3.4(6) . . . . ?
C10 C5 C6 C7 -1.8(8) . . . . ?
N1 C5 C6 C7 -177.1(5) . . . . ?
C10 C5 C6 C3 178.7(5) . . . . ?
N1 C5 C6 C3 3.5(6) . . . . ?
C4 C3 C6 C7 178.3(6) . . . . ?
C2 C3 C6 C7 -4.4(9) . . . . ?
C4 C3 C6 C5 -2.4(6) . . . . ?
C2 C3 C6 C5 175.0(5) . . . . ?
C5 C6 C7 C8 1.7(8) . . . . ?
C3 C6 C7 C8 -179.0(5) . . . . ?
C6 C7 C8 O3 178.8(5) . . . . ?
C6 C7 C8 C9 -0.8(8) . . . . ?
C19 O3 C8 C7 -177.7(5) . . . . ?
C19 O3 C8 C9 1.8(8) . . . . ?
C7 C8 C9 C10 -0.1(9) . . . . ?
O3 C8 C9 C10 -179.7(5) . . . . ?
C6 C5 C10 C9 0.9(8) . . . . ?
N1 C5 C10 C9 174.8(6) . . . . ?
C8 C9 C10 C5 0.1(9) . . . . ?
C4 N1 C11 O4 -156.1(6) . . . . ?
C5 N1 C11 O4 26.8(9) . . . . ?
C4 N1 C11 C12 28.3(9) . . . . ?
C5 N1 C11 C12 -148.7(5) . . . . ?
O4 C11 C12 C13 52.1(9) . . . . ?
N1 C11 C12 C13 -132.4(6) . . . . ?
O4 C11 C12 C17 -124.8(7) . . . . ?
N1 C11 C12 C17 50.7(8) . . . . ?
C17 C12 C13 C14 -1.5(10) . . . . ?
C11 C12 C13 C14 -178.3(6) . . . . ?
C12 C13 C14 C15 1.2(9) . . . . ?
C13 C14 C15 C16 0.2(10) . . . . ?
C13 C14 C15 Cl1 -179.2(5) . . . . ?
C14 C15 C16 C17 -1.3(10) . . . . ?
Cl1 C15 C16 C17 178.1(5) . . . . ?
C15 C16 C17 C12 1.0(10) . . . . ?
C13 C12 C17 C16 0.3(10) . . . . ?
C11 C12 C17 C16 177.2(6) . . . . ?
C26 P1 C20 C25 -2.8(5) . . . . ?
C32 P1 C20 C25 109.7(5) . . . . ?
Au1 P1 C20 C25 -127.7(4) . . . . ?
C26 P1 C20 C21 174.5(4) . . . . ?
C32 P1 C20 C21 -72.9(5) . . . . ?
Au1 P1 C20 C21 49.6(5) . . . . ?
C25 C20 C21 C22 -2.1(8) . . . . ?
P1 C20 C21 C22 -179.5(4) . . . . ?
C20 C21 C22 C23 0.7(8) . . . . ?
C21 C22 C23 C24 -0.4(9) . . . . ?
C22 C23 C24 C25 1.4(9) . . . . ?
C23 C24 C25 C20 -2.8(8) . . . . ?
C21 C20 C25 C24 3.1(8) . . . . ?
P1 C20 C25 C24 -179.6(4) . . . . ?
C32 P1 C26 C27 152.1(5) . . . . ?
C20 P1 C26 C27 -95.7(5) . . . . ?
Au1 P1 C26 C27 31.5(5) . . . . ?
C32 P1 C26 C31 -27.9(6) . . . . ?
C20 P1 C26 C31 84.3(5) . . . . ?
Au1 P1 C26 C31 -148.5(4) . . . . ?
C31 C26 C27 C28 0.1(9) . . . . ?
P1 C26 C27 C28 -179.9(5) . . . . ?
C26 C27 C28 C29 0.8(10) . . . . ?
C27 C28 C29 C30 -0.9(11) . . . . ?
C28 C29 C30 C31 0.0(10) . . . . ?
C29 C30 C31 C26 0.9(10) . . . . ?
C27 C26 C31 C30 -0.9(9) . . . . ?
P1 C26 C31 C30 179.0(5) . . . . ?
C26 P1 C32 C37 -100.6(5) . . . . ?
C20 P1 C32 C37 147.4(5) . . . . ?
Au1 P1 C32 C37 21.2(5) . . . . ?
C26 P1 C32 C33 75.3(5) . . . . ?
C20 P1 C32 C33 -36.7(6) . . . . ?
Au1 P1 C32 C33 -162.8(4) . . . . ?
C37 C32 C33 C34 1.4(9) . . . . ?
P1 C32 C33 C34 -174.4(5) . . . . ?
C32 C33 C34 C35 -0.3(10) . . . . ?
C33 C34 C35 C36 -0.6(11) . . . . ?
C34 C35 C36 C37 0.5(10) . . . . ?
C33 C32 C37 C36 -1.5(9) . . . . ?
P1 C32 C37 C36 174.4(4) . . . . ?
C35 C36 C37 C32 0.6(9) . . . . ?

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
_geom_hbond_publ_flag
C25 H25 O4 0.95 2.59 3.240(8) 126.3 1_655 yes
C14 H14 O2 0.95 2.36 3.182(8) 145.0 2 yes
C10 H10 O4 0.95 2.44 2.956(8) 114.0 . yes
C2 H2A Cl1 0.99 2.79 3.628(6) 142.5 3_575 yes
C2 H2A Cl1 0.99 2.79 3.628(6) 142.5 3_575 yes
C10 H10 O4 0.95 2.44 2.956(8) 114.0 . yes
C14 H14 O2 0.95 2.36 3.182(8) 145.0 2 yes
C25 H25 O4 0.95 2.59 3.240(8) 126.3 1_655 yes
C33 H33 Cl1 0.95 2.99 3.570(7) 120.4 4_676 yes

_refine_diff_density_max         2.419
_refine_diff_density_min         -1.663
_refine_diff_density_rms         0.172




####################################################################### 
# 
# 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_q21042aj_0m
_database_code_depnum_ccdc_archive 'CCDC 2175742'
loop_
_audit_author_name
_audit_author_address
'Kuldip Singh'
;University of Leicester
United Kingdom
;
_audit_update_record             
;
2022-05-30 deposited with the CCDC.	2022-12-12 downloaded from the CCDC.
;
_audit_creation_date             2021-07-28
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H28 Au O3 P'
_chemical_formula_sum            'C32 H28 Au O3 P'
_chemical_formula_weight         688.48
_chemical_absolute_configuration .
_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 0.0181 0.0091 '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 -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   13.2107(4)
_cell_length_b                   12.0368(4)
_cell_length_c                   17.3384(6)
_cell_angle_alpha                90
_cell_angle_beta                 96.519(2)
_cell_angle_gamma                90
_cell_volume                     2739.23(16)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9809
_cell_measurement_temperature    150.0
_cell_measurement_theta_max      72.22
_cell_measurement_theta_min      2.57
_shelx_estimated_absorpt_T_max   0.571
_shelx_estimated_absorpt_T_min   0.113
_exptl_absorpt_coefficient_mu    10.892
_exptl_absorpt_correction_T_max  0.7536
_exptl_absorpt_correction_T_min  0.4288
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1289 before and 0.0837 after correction.
The Ratio of minimum to maximum transmission is 0.5690.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.669
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1352
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0.00 0.00 1.00 0.0270
0.00 0.00 -1.00 0.0390
0.00 1.00 -1.00 0.1380
0.00 -1.00 1.00 0.1530
0.00 -1.00 0.00 0.1770
0.00 1.00 0.00 0.1540
1.00 -1.00 -1.00 0.1270
-1.00 1.00 1.00 0.1180
-1.00 0.00 1.00 0.0280
1.00 0.00 -1.00 0.0250
1.00 0.00 1.00 0.0200
-1.00 0.00 -1.00 0.0270

_exptl_crystal_size_max          0.354
_exptl_crystal_size_mid          0.065
_exptl_crystal_size_min          0.058
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0576
_diffrn_reflns_av_unetI/netI     0.0778
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            20914
_diffrn_reflns_point_group_measured_fraction_full 0.869
_diffrn_reflns_point_group_measured_fraction_max 0.862
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.226
_diffrn_reflns_theta_min         2.565
_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker Photon APEX-IIl CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           1.1
_diffrn_source_power             0.055
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.646
_reflns_Friedel_fraction_full    0.727
_reflns_Friedel_fraction_max     0.714
_reflns_number_gt                8715
_reflns_number_total             9307
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       'SAINT V8.40A (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         5.659
_refine_diff_density_min         -1.497
_refine_diff_density_rms         0.194
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.003(16)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     672
_refine_ls_number_reflns         9307
_refine_ls_number_restraints     13
_refine_ls_R_factor_all          0.0526
_refine_ls_R_factor_gt           0.0486
_refine_ls_restrained_S_all      1.055
_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)+(0.0721P)²+2.3561P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1243
_refine_ls_wR_factor_ref         0.1273
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.997(16)
 0.003(16)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Uiso/Uaniso restraints and constraints
C27A \\sim C28A: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
C27A \\sim C32A \\sim C27A \\sim C28A: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
4.a Ternary CH refined with riding coordinates:
 C2(H2), C2A(H2A)
4.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C7(H7), C8(H8), C9(H9), C10(H10), C12(H12), C16(H16), C17(H17),
 C18(H18), C19(H19), C20(H20), C22(H22), C23(H23), C24(H24), C25(H25), C26(H26),
  C28(H28), C29(H29), C30(H30), C31(H31), C32(H32), C4A(H4A), C7A(H7A),
 C8A(H8A), C9A(H9A), C10A(H10A), C12A(H12A), C16A(H16A), C17A(H17A), C18A(H18A),
  C19A(H19A), C20A(H20A), C22A(H22A), C23A(H23A), C24A(H24A), C25A(H25A),
 C26A(H26A), C28A(H28A), C29A(H29A), C30A(H30A), C31A(H31A), C32A(H32A)
4.c Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C13A(H13D,H13E,H13F), C14A(H14D,
 H14E,H14F)
;
_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 0.62318(4) 0.62793(3) 0.99752(3) 0.02149(14) Uani 1 1 d . . . . .
P1 P 0.4677(2) 0.5687(3) 1.01047(19) 0.0178(6) Uani 1 1 d . . . . .
O1 O 0.7721(6) 0.6808(8) 0.9924(5) 0.0244(19) Uani 1 1 d . . . . .
O2 O 0.7638(7) 0.5930(8) 0.8771(5) 0.029(2) Uani 1 1 d . . . . .
O3 O 0.8475(8) 1.2469(9) 0.6941(7) 0.036(2) Uani 1 1 d . . . . .
C1 C 0.8093(8) 0.6453(10) 0.9297(7) 0.019(2) Uani 1 1 d . . . . .
C2 C 0.9210(9) 0.6804(11) 0.9276(7) 0.018(2) Uani 1 1 d . . . . .
H2 H 0.955222 0.682592 0.982096 0.022 Uiso 1 1 calc R U . . .
C3 C 0.9181(9) 0.7989(11) 0.8946(8) 0.020(2) Uani 1 1 d . . . . .
C4 C 0.9124(9) 0.8197(11) 0.8165(8) 0.021(3) Uani 1 1 d . . . . .
H4 H 0.918049 0.759473 0.781862 0.025 Uiso 1 1 calc R U . . .
C5 C 0.8987(9) 0.9262(11) 0.7867(8) 0.021(3) Uani 1 1 d . . . . .
C6 C 0.8933(9) 1.0170(11) 0.8389(8) 0.022(3) Uani 1 1 d . . . . .
C7 C 0.9021(10) 0.9973(12) 0.9183(8) 0.027(3) Uani 1 1 d . . . . .
H7 H 0.899510 1.057489 0.953446 0.032 Uiso 1 1 calc R U . . .
C8 C 0.9147(9) 0.8900(13) 0.9461(6) 0.022(2) Uani 1 1 d . . . . .
H8 H 0.921082 0.877037 1.000482 0.027 Uiso 1 1 calc R U . . .
C9 C 0.8860(9) 0.9503(12) 0.7052(8) 0.025(3) Uani 1 1 d . . . . .
H9 H 0.890318 0.891179 0.669339 0.030 Uiso 1 1 calc R U . . .
C10 C 0.8683(11) 1.0541(13) 0.6777(8) 0.030(3) Uani 1 1 d . . . . .
H10 H 0.858415 1.066400 0.623274 0.037 Uiso 1 1 calc R U . . .
C11 C 0.8641(10) 1.1451(12) 0.7290(9) 0.030(3) Uani 1 1 d . . . . .
C12 C 0.8753(9) 1.1258(14) 0.8081(7) 0.027(3) Uani 1 1 d . . . . .
H12 H 0.870906 1.186365 0.842682 0.032 Uiso 1 1 calc R U . . .
C13 C 0.9756(12) 0.5973(13) 0.8824(9) 0.034(3) Uani 1 1 d . . . . .
H13A H 0.983288 0.527245 0.911214 0.051 Uiso 1 1 calc R U . . .
H13B H 1.043030 0.626230 0.874529 0.051 Uiso 1 1 calc R U . . .
H13C H 0.936072 0.584359 0.831834 0.051 Uiso 1 1 calc R U . . .
C14 C 0.8530(16) 1.3385(14) 0.7448(12) 0.053(5) Uani 1 1 d . . . . .
H14A H 0.831240 1.405732 0.715581 0.080 Uiso 1 1 calc R U . . .
H14B H 0.923262 1.347793 0.768803 0.080 Uiso 1 1 calc R U . . .
H14C H 0.808185 1.325848 0.785275 0.080 Uiso 1 1 calc R U . . .
C15 C 0.3746(9) 0.6788(11) 1.0204(7) 0.019(3) Uani 1 1 d . . . . .
C16 C 0.4076(10) 0.7665(11) 1.0749(7) 0.023(3) Uani 1 1 d . . . . .
H16 H 0.474984 0.767316 1.100686 0.028 Uiso 1 1 calc R U . . .
C17 C 0.3392(10) 0.8484(12) 1.0887(8) 0.026(3) Uani 1 1 d . . . . .
H17 H 0.360407 0.908748 1.121946 0.031 Uiso 1 1 calc R U . . .
C18 C 0.2390(11) 0.8430(12) 1.0540(8) 0.029(3) Uani 1 1 d . . . . .
H18 H 0.191427 0.898241 1.065194 0.035 Uiso 1 1 calc R U . . .
C19 C 0.2083(10) 0.7578(11) 1.0033(8) 0.025(3) Uani 1 1 d . . . . .
H19 H 0.140693 0.756580 0.977945 0.030 Uiso 1 1 calc R U . . .
C20 C 0.2750(9) 0.6750(11) 0.9896(7) 0.021(2) Uani 1 1 d . . . . .
H20 H 0.251505 0.613765 0.957932 0.025 Uiso 1 1 calc R U . . .
C21 C 0.4657(9) 0.4758(10) 1.0915(8) 0.021(2) Uani 1 1 d . . . . .
C22 C 0.3818(11) 0.4694(13) 1.1346(8) 0.030(3) Uani 1 1 d . . . . .
H22 H 0.326572 0.519737 1.124089 0.036 Uiso 1 1 calc R U . . .
C23 C 0.3793(10) 0.3895(16) 1.1927(9) 0.036(3) Uani 1 1 d . . . . .
H23 H 0.322688 0.385171 1.221799 0.043 Uiso 1 1 calc R U . . .
C24 C 0.4600(10) 0.3167(13) 1.2074(8) 0.032(3) Uani 1 1 d . . . . .
H24 H 0.458436 0.261504 1.246354 0.039 Uiso 1 1 calc R U . . .
C25 C 0.5437(11) 0.3237(13) 1.1655(9) 0.032(3) Uani 1 1 d . . . . .
H25 H 0.599130 0.273594 1.176181 0.038 Uiso 1 1 calc R U . . .
C26 C 0.5460(9) 0.4027(13) 1.1091(7) 0.027(3) Uani 1 1 d . . . . .
H26 H 0.603932 0.407549 1.081413 0.032 Uiso 1 1 calc R U . . .
C27 C 0.4130(10) 0.4910(10) 0.9271(7) 0.021(2) Uani 1 1 d . . . . .
C28 C 0.3394(9) 0.4094(10) 0.9326(7) 0.021(2) Uani 1 1 d . . . . .
H28 H 0.317367 0.393715 0.981773 0.025 Uiso 1 1 calc R U . . .
C29 C 0.2970(10) 0.3496(11) 0.8672(8) 0.026(3) Uani 1 1 d . . . . .
H29 H 0.245573 0.295427 0.871300 0.031 Uiso 1 1 calc R U . . .
C30 C 0.3322(10) 0.3719(12) 0.7963(8) 0.028(3) Uani 1 1 d . . . . .
H30 H 0.306048 0.329854 0.752074 0.034 Uiso 1 1 calc R U . . .
C31 C 0.4032(11) 0.4521(11) 0.7881(8) 0.027(3) Uani 1 1 d . . . . .
H31 H 0.424539 0.467399 0.738641 0.033 Uiso 1 1 calc R U . . .
C32 C 0.4438(9) 0.5112(10) 0.8536(7) 0.019(2) Uani 1 1 d . . . . .
H32 H 0.493694 0.566679 0.848302 0.023 Uiso 1 1 calc R U . . .
Au1A Au 0.40025(4) 0.39349(4) 0.54329(3) 0.02546(15) Uani 1 1 d . . . . .
P1A P 0.5398(2) 0.4470(3) 0.49475(19) 0.0208(6) Uani 1 1 d . . . . .
O1A O 0.2789(7) 0.3509(9) 0.6000(6) 0.035(2) Uani 1 1 d . . . . .
O2A O 0.1753(8) 0.3948(12) 0.4961(6) 0.043(3) Uani 1 1 d . . . . .
O3A O 0.1864(8) -0.2466(10) 0.8154(6) 0.035(2) Uani 1 1 d . . . . .
C1A C 0.1887(10) 0.3681(12) 0.5606(8) 0.029(3) Uani 1 1 d . . . . .
C2A C 0.1024(10) 0.3394(12) 0.6119(8) 0.028(3) Uani 1 1 d . . . . .
H2A H 0.110928 0.388224 0.658902 0.033 Uiso 1 1 calc R U . . .
C3A C 0.1111(10) 0.2211(12) 0.6385(8) 0.024(3) Uani 1 1 d . . . . .
C4A C 0.1230(9) 0.1908(12) 0.7147(7) 0.023(3) Uani 1 1 d . . . . .
H4A H 0.121098 0.247174 0.752871 0.027 Uiso 1 1 calc R U . . .
C5A C 0.1383(9) 0.0786(12) 0.7402(8) 0.022(3) Uani 1 1 d . . . . .
C6A C 0.1415(9) -0.0055(12) 0.6839(7) 0.024(3) Uani 1 1 d . . . . .
C7A C 0.1273(10) 0.0260(12) 0.6044(8) 0.025(3) Uani 1 1 d . . . . .
H7A H 0.127037 -0.029864 0.565729 0.030 Uiso 1 1 calc R U . . .
C8A C 0.1141(9) 0.1332(15) 0.5823(7) 0.029(3) Uani 1 1 d . . . . .
H8A H 0.106700 0.150955 0.528572 0.034 Uiso 1 1 calc R U . . .
C9A C 0.1512(10) 0.0508(12) 0.8200(8) 0.024(3) Uani 1 1 d . . . . .
H9A H 0.148438 0.106951 0.858250 0.028 Uiso 1 1 calc R U . . .
C10A C 0.1677(10) -0.0581(13) 0.8417(8) 0.029(3) Uani 1 1 d . . . . .
H10A H 0.176832 -0.076942 0.895265 0.035 Uiso 1 1 calc R U . . .
C11A C 0.1711(9) -0.1418(12) 0.7858(9) 0.028(3) Uani 1 1 d . . . . .
C12A C 0.1586(9) -0.1162(12) 0.7072(7) 0.025(3) Uani 1 1 d . . . . .
H12A H 0.161569 -0.173104 0.669531 0.030 Uiso 1 1 calc R U . . .
C13A C -0.0002(10) 0.3673(16) 0.5654(9) 0.042(4) Uani 1 1 d . . . . .
H13D H -0.006047 0.448007 0.558610 0.064 Uiso 1 1 calc R U . . .
H13E H -0.055755 0.340452 0.593401 0.064 Uiso 1 1 calc R U . . .
H13F H -0.004311 0.331428 0.514404 0.064 Uiso 1 1 calc R U . . .
C14A C 0.1883(13) -0.3356(13) 0.7625(10) 0.041(4) Uani 1 1 d . . . . .
H14D H 0.122502 -0.340123 0.730254 0.061 Uiso 1 1 calc R U . . .
H14E H 0.201175 -0.405209 0.791196 0.061 Uiso 1 1 calc R U . . .
H14F H 0.242487 -0.323032 0.729298 0.061 Uiso 1 1 calc R U . . .
C15A C 0.6168(9) 0.5310(11) 0.5667(8) 0.022(3) Uani 1 1 d . . . . .
C16A C 0.6180(11) 0.5023(13) 0.6451(8) 0.031(3) Uani 1 1 d . . . . .
H16A H 0.582560 0.438046 0.659002 0.038 Uiso 1 1 calc R U . . .
C17A C 0.6699(12) 0.5662(14) 0.7018(8) 0.035(3) Uani 1 1 d . . . . .
H17A H 0.671050 0.546354 0.754942 0.042 Uiso 1 1 calc R U . . .
C18A C 0.7204(12) 0.6594(14) 0.6809(9) 0.040(4) Uani 1 1 d . . . . .
H18A H 0.754420 0.705097 0.720361 0.048 Uiso 1 1 calc R U . . .
C19A C 0.7228(11) 0.6883(13) 0.6039(9) 0.035(3) Uani 1 1 d . . . . .
H19A H 0.760007 0.751732 0.590660 0.042 Uiso 1 1 calc R U . . .
C20A C 0.6697(10) 0.6228(13) 0.5454(8) 0.028(3) Uani 1 1 d . . . . .
H20A H 0.670313 0.641468 0.492238 0.034 Uiso 1 1 calc R U . . .
C21A C 0.5182(9) 0.5294(12) 0.4080(8) 0.024(3) Uani 1 1 d . . . . .
C22A C 0.4294(10) 0.5963(12) 0.3965(8) 0.029(3) Uani 1 1 d . . . . .
H22A H 0.379920 0.593252 0.432164 0.034 Uiso 1 1 calc R U . . .
C23A C 0.4155(12) 0.6662(14) 0.3326(10) 0.039(4) Uani 1 1 d . . . . .
H23A H 0.355970 0.710851 0.324488 0.047 Uiso 1 1 calc R U . . .
C24A C 0.4865(12) 0.6716(14) 0.2812(8) 0.038(3) Uani 1 1 d . . . . .
H24A H 0.475932 0.719235 0.237339 0.045 Uiso 1 1 calc R U . . .
C25A C 0.5740(11) 0.6074(13) 0.2931(8) 0.034(3) Uani 1 1 d . . . . .
H25A H 0.624013 0.613016 0.258073 0.041 Uiso 1 1 calc R U . . .
C26A C 0.5891(11) 0.5367(12) 0.3543(8) 0.027(3) Uani 1 1 d . . . . .
H26A H 0.648501 0.491715 0.360652 0.032 Uiso 1 1 calc R U . . .
C27A C 0.6227(10) 0.3355(12) 0.4766(10) 0.030(3) Uani 1 1 d . U . . .
C28A C 0.5762(11) 0.2574(12) 0.4144(8) 0.029(3) Uani 1 1 d . U . . .
H28A H 0.509607 0.270816 0.389384 0.035 Uiso 1 1 calc R U . . .
C29A C 0.6305(12) 0.1666(13) 0.3940(9) 0.036(3) Uani 1 1 d . . . . .
H29A H 0.600755 0.116305 0.355760 0.044 Uiso 1 1 calc R U . . .
C30A C 0.7284(11) 0.1484(12) 0.4292(10) 0.036(3) Uani 1 1 d . . . . .
H30A H 0.766100 0.086541 0.413858 0.044 Uiso 1 1 calc R U . . .
C31A C 0.7721(12) 0.2198(13) 0.4867(10) 0.037(4) Uani 1 1 d . . . . .
H31A H 0.838486 0.206687 0.512279 0.044 Uiso 1 1 calc R U . . .
C32A C 0.7139(11) 0.3127(11) 0.5059(8) 0.027(3) Uani 1 1 d . U . . .
H32A H 0.745339 0.362525 0.543796 0.032 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 P1 2.210(3) . ?
Au1 O1 2.079(8) . ?
P1 C15 1.830(14) . ?
P1 C21 1.798(13) . ?
P1 C27 1.802(13) . ?
O1 C1 1.314(14) . ?
O2 C1 1.211(16) . ?
O3 C11 1.373(18) . ?
O3 C14 1.41(2) . ?
C1 C2 1.538(15) . ?
C2 H2 1.0000 . ?
C2 C3 1.536(17) . ?
C2 C13 1.506(19) . ?
C3 C4 1.370(18) . ?
C3 C8 1.419(19) . ?
C4 H4 0.9500 . ?
C4 C5 1.387(19) . ?
C5 C6 1.426(19) . ?
C5 C9 1.434(19) . ?
C6 C7 1.39(2) . ?
C6 C12 1.42(2) . ?
C7 H7 0.9500 . ?
C7 C8 1.38(2) . ?
C8 H8 0.9500 . ?
C9 H9 0.9500 . ?
C9 C10 1.35(2) . ?
C10 H10 0.9500 . ?
C10 C11 1.41(2) . ?
C11 C12 1.383(19) . ?
C12 H12 0.9500 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.451(18) . ?
C15 C20 1.363(17) . ?
C16 H16 0.9500 . ?
C16 C17 1.38(2) . ?
C17 H17 0.9500 . ?
C17 C18 1.39(2) . ?
C18 H18 0.9500 . ?
C18 C19 1.38(2) . ?
C19 H19 0.9500 . ?
C19 C20 1.369(18) . ?
C20 H20 0.9500 . ?
C21 C22 1.407(18) . ?
C21 C26 1.386(19) . ?
C22 H22 0.9500 . ?
C22 C23 1.40(2) . ?
C23 H23 0.9500 . ?
C23 C24 1.38(2) . ?
C24 H24 0.9500 . ?
C24 C25 1.392(19) . ?
C25 H25 0.9500 . ?
C25 C26 1.37(2) . ?
C26 H26 0.9500 . ?
C27 C28 1.393(17) . ?
C27 C32 1.403(16) . ?
C28 H28 0.9500 . ?
C28 C29 1.405(19) . ?
C29 H29 0.9500 . ?
C29 C30 1.389(19) . ?
C30 H30 0.9500 . ?
C30 C31 1.36(2) . ?
C31 H31 0.9500 . ?
C31 C32 1.396(19) . ?
C32 H32 0.9500 . ?
Au1A P1A 2.208(3) . ?
Au1A O1A 2.040(10) . ?
P1A C15A 1.823(14) . ?
P1A C21A 1.797(14) . ?
P1A C27A 1.783(15) . ?
O1A C1A 1.321(16) . ?
O2A C1A 1.158(17) . ?
O3A C11A 1.369(18) . ?
O3A C14A 1.41(2) . ?
C1A C2A 1.563(18) . ?
C2A H2A 1.0000 . ?
C2A C3A 1.497(19) . ?
C2A C13A 1.534(19) . ?
C3A C4A 1.364(18) . ?
C3A C8A 1.44(2) . ?
C4A H4A 0.9500 . ?
C4A C5A 1.43(2) . ?
C5A C6A 1.411(19) . ?
C5A C9A 1.415(18) . ?
C6A C7A 1.421(18) . ?
C6A C12A 1.40(2) . ?
C7A H7A 0.9500 . ?
C7A C8A 1.35(2) . ?
C8A H8A 0.9500 . ?
C9A H9A 0.9500 . ?
C9A C10A 1.37(2) . ?
C10A H10A 0.9500 . ?
C10A C11A 1.40(2) . ?
C11A C12A 1.389(19) . ?
C12A H12A 0.9500 . ?
C13A H13D 0.9800 . ?
C13A H13E 0.9800 . ?
C13A H13F 0.9800 . ?
C14A H14D 0.9800 . ?
C14A H14E 0.9800 . ?
C14A H14F 0.9800 . ?
C15A C16A 1.400(19) . ?
C15A C20A 1.38(2) . ?
C16A H16A 0.9500 . ?
C16A C17A 1.37(2) . ?
C17A H17A 0.9500 . ?
C17A C18A 1.37(2) . ?
C18A H18A 0.9500 . ?
C18A C19A 1.38(2) . ?
C19A H19A 0.9500 . ?
C19A C20A 1.41(2) . ?
C20A H20A 0.9500 . ?
C21A C22A 1.419(19) . ?
C21A C26A 1.396(18) . ?
C22A H22A 0.9500 . ?
C22A C23A 1.39(2) . ?
C23A H23A 0.9500 . ?
C23A C24A 1.37(2) . ?
C24A H24A 0.9500 . ?
C24A C25A 1.39(2) . ?
C25A H25A 0.9500 . ?
C25A C26A 1.357(19) . ?
C26A H26A 0.9500 . ?
C27A C28A 1.51(2) . ?
C27A C32A 1.28(2) . ?
C28A H28A 0.9500 . ?
C28A C29A 1.38(2) . ?
C29A H29A 0.9500 . ?
C29A C30A 1.38(2) . ?
C30A H30A 0.9500 . ?
C30A C31A 1.39(2) . ?
C31A H31A 0.9500 . ?
C31A C32A 1.42(2) . ?
C32A H32A 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
O1 Au1 P1 176.5(3) . . ?
C15 P1 Au1 114.7(4) . . ?
C21 P1 Au1 112.1(4) . . ?
C21 P1 C15 107.9(6) . . ?
C21 P1 C27 105.3(6) . . ?
C27 P1 Au1 112.3(4) . . ?
C27 P1 C15 103.8(6) . . ?
C1 O1 Au1 112.4(7) . . ?
C11 O3 C14 115.5(12) . . ?
O1 C1 C2 112.3(10) . . ?
O2 C1 O1 126.3(10) . . ?
O2 C1 C2 121.4(10) . . ?
C1 C2 H2 108.5 . . ?
C3 C2 C1 106.3(9) . . ?
C3 C2 H2 108.5 . . ?
C13 C2 C1 110.3(11) . . ?
C13 C2 H2 108.5 . . ?
C13 C2 C3 114.5(11) . . ?
C4 C3 C2 122.4(12) . . ?
C4 C3 C8 118.6(12) . . ?
C8 C3 C2 118.9(11) . . ?
C3 C4 H4 119.1 . . ?
C3 C4 C5 121.9(12) . . ?
C5 C4 H4 119.1 . . ?
C4 C5 C6 119.0(12) . . ?
C4 C5 C9 123.4(12) . . ?
C6 C5 C9 117.6(12) . . ?
C7 C6 C5 119.6(12) . . ?
C7 C6 C12 121.4(13) . . ?
C12 C6 C5 119.0(12) . . ?
C6 C7 H7 120.0 . . ?
C8 C7 C6 119.9(12) . . ?
C8 C7 H7 120.0 . . ?
C3 C8 H8 119.5 . . ?
C7 C8 C3 120.9(11) . . ?
C7 C8 H8 119.5 . . ?
C5 C9 H9 119.0 . . ?
C10 C9 C5 122.0(13) . . ?
C10 C9 H9 119.0 . . ?
C9 C10 H10 119.5 . . ?
C9 C10 C11 120.9(13) . . ?
C11 C10 H10 119.5 . . ?
O3 C11 C10 115.5(13) . . ?
O3 C11 C12 125.5(14) . . ?
C12 C11 C10 119.0(14) . . ?
C6 C12 H12 119.3 . . ?
C11 C12 C6 121.4(14) . . ?
C11 C12 H12 119.3 . . ?
C2 C13 H13A 109.5 . . ?
C2 C13 H13B 109.5 . . ?
C2 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O3 C14 H14A 109.5 . . ?
O3 C14 H14B 109.5 . . ?
O3 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 P1 115.6(9) . . ?
C20 C15 P1 124.6(10) . . ?
C20 C15 C16 119.0(12) . . ?
C15 C16 H16 120.7 . . ?
C17 C16 C15 118.7(12) . . ?
C17 C16 H16 120.7 . . ?
C16 C17 H17 119.9 . . ?
C16 C17 C18 120.2(13) . . ?
C18 C17 H17 119.9 . . ?
C17 C18 H18 119.8 . . ?
C19 C18 C17 120.4(13) . . ?
C19 C18 H18 119.8 . . ?
C18 C19 H19 119.9 . . ?
C20 C19 C18 120.2(12) . . ?
C20 C19 H19 119.9 . . ?
C15 C20 C19 121.3(12) . . ?
C15 C20 H20 119.4 . . ?
C19 C20 H20 119.4 . . ?
C22 C21 P1 122.1(10) . . ?
C26 C21 P1 119.2(9) . . ?
C26 C21 C22 118.5(12) . . ?
C21 C22 H22 119.8 . . ?
C23 C22 C21 120.4(13) . . ?
C23 C22 H22 119.8 . . ?
C22 C23 H23 120.4 . . ?
C24 C23 C22 119.3(13) . . ?
C24 C23 H23 120.4 . . ?
C23 C24 H24 119.7 . . ?
C23 C24 C25 120.6(13) . . ?
C25 C24 H24 119.7 . . ?
C24 C25 H25 120.1 . . ?
C26 C25 C24 119.9(13) . . ?
C26 C25 H25 120.1 . . ?
C21 C26 H26 119.3 . . ?
C25 C26 C21 121.4(12) . . ?
C25 C26 H26 119.3 . . ?
C28 C27 P1 122.1(9) . . ?
C28 C27 C32 117.5(12) . . ?
C32 C27 P1 120.5(9) . . ?
C27 C28 H28 119.2 . . ?
C27 C28 C29 121.5(12) . . ?
C29 C28 H28 119.2 . . ?
C28 C29 H29 120.9 . . ?
C30 C29 C28 118.2(12) . . ?
C30 C29 H29 120.9 . . ?
C29 C30 H30 118.9 . . ?
C31 C30 C29 122.2(13) . . ?
C31 C30 H30 118.9 . . ?
C30 C31 H31 120.6 . . ?
C30 C31 C32 118.7(12) . . ?
C32 C31 H31 120.6 . . ?
C27 C32 H32 119.1 . . ?
C31 C32 C27 121.8(12) . . ?
C31 C32 H32 119.1 . . ?
O1A Au1A P1A 173.4(3) . . ?
C15A P1A Au1A 109.0(4) . . ?
C21A P1A Au1A 114.8(4) . . ?
C21A P1A C15A 106.8(6) . . ?
C27A P1A Au1A 113.9(4) . . ?
C27A P1A C15A 103.4(7) . . ?
C27A P1A C21A 108.1(7) . . ?
C1A O1A Au1A 115.0(9) . . ?
C11A O3A C14A 117.9(12) . . ?
O1A C1A C2A 110.1(11) . . ?
O2A C1A O1A 124.9(13) . . ?
O2A C1A C2A 124.8(12) . . ?
C1A C2A H2A 108.1 . . ?
C3A C2A C1A 110.4(12) . . ?
C3A C2A H2A 108.1 . . ?
C3A C2A C13A 113.8(12) . . ?
C13A C2A C1A 108.0(11) . . ?
C13A C2A H2A 108.1 . . ?
C4A C3A C2A 123.3(13) . . ?
C4A C3A C8A 116.7(13) . . ?
C8A C3A C2A 119.9(12) . . ?
C3A C4A H4A 118.3 . . ?
C3A C4A C5A 123.3(13) . . ?
C5A C4A H4A 118.3 . . ?
C6A C5A C4A 118.6(12) . . ?
C6A C5A C9A 119.9(13) . . ?
C9A C5A C4A 121.5(12) . . ?
C5A C6A C7A 117.9(13) . . ?
C12A C6A C5A 119.9(12) . . ?
C12A C6A C7A 122.2(13) . . ?
C6A C7A H7A 119.0 . . ?
C8A C7A C6A 122.0(13) . . ?
C8A C7A H7A 119.0 . . ?
C3A C8A H8A 119.3 . . ?
C7A C8A C3A 121.4(12) . . ?
C7A C8A H8A 119.3 . . ?
C5A C9A H9A 120.3 . . ?
C10A C9A C5A 119.4(13) . . ?
C10A C9A H9A 120.3 . . ?
C9A C10A H10A 119.6 . . ?
C9A C10A C11A 120.8(13) . . ?
C11A C10A H10A 119.6 . . ?
O3A C11A C10A 114.7(13) . . ?
O3A C11A C12A 124.6(14) . . ?
C12A C11A C10A 120.7(13) . . ?
C6A C12A H12A 120.3 . . ?
C11A C12A C6A 119.4(12) . . ?
C11A C12A H12A 120.3 . . ?
C2A C13A H13D 109.5 . . ?
C2A C13A H13E 109.5 . . ?
C2A C13A H13F 109.5 . . ?
H13D C13A H13E 109.5 . . ?
H13D C13A H13F 109.5 . . ?
H13E C13A H13F 109.5 . . ?
O3A C14A H14D 109.5 . . ?
O3A C14A H14E 109.5 . . ?
O3A C14A H14F 109.5 . . ?
H14D C14A H14E 109.5 . . ?
H14D C14A H14F 109.5 . . ?
H14E C14A H14F 109.5 . . ?
C16A C15A P1A 118.1(11) . . ?
C20A C15A P1A 121.4(10) . . ?
C20A C15A C16A 120.4(13) . . ?
C15A C16A H16A 119.7 . . ?
C17A C16A C15A 120.6(14) . . ?
C17A C16A H16A 119.7 . . ?
C16A C17A H17A 120.4 . . ?
C16A C17A C18A 119.1(14) . . ?
C18A C17A H17A 120.4 . . ?
C17A C18A H18A 119.2 . . ?
C17A C18A C19A 121.7(14) . . ?
C19A C18A H18A 119.2 . . ?
C18A C19A H19A 120.3 . . ?
C18A C19A C20A 119.3(14) . . ?
C20A C19A H19A 120.3 . . ?
C15A C20A C19A 118.8(13) . . ?
C15A C20A H20A 120.6 . . ?
C19A C20A H20A 120.6 . . ?
C22A C21A P1A 118.8(10) . . ?
C26A C21A P1A 122.6(10) . . ?
C26A C21A C22A 118.5(12) . . ?
C21A C22A H22A 120.3 . . ?
C23A C22A C21A 119.3(13) . . ?
C23A C22A H22A 120.3 . . ?
C22A C23A H23A 119.6 . . ?
C24A C23A C22A 120.8(14) . . ?
C24A C23A H23A 119.6 . . ?
C23A C24A H24A 120.1 . . ?
C23A C24A C25A 119.9(14) . . ?
C25A C24A H24A 120.1 . . ?
C24A C25A H25A 119.6 . . ?
C26A C25A C24A 120.8(13) . . ?
C26A C25A H25A 119.6 . . ?
C21A C26A H26A 119.6 . . ?
C25A C26A C21A 120.7(14) . . ?
C25A C26A H26A 119.6 . . ?
C28A C27A P1A 112.8(10) . . ?
C32A C27A P1A 131.3(14) . . ?
C32A C27A C28A 115.9(14) . . ?
C27A C28A H28A 120.1 . . ?
C29A C28A C27A 119.8(14) . . ?
C29A C28A H28A 120.1 . . ?
C28A C29A H29A 119.9 . . ?
C28A C29A C30A 120.1(15) . . ?
C30A C29A H29A 119.9 . . ?
C29A C30A H30A 119.7 . . ?
C29A C30A C31A 120.6(14) . . ?
C31A C30A H30A 119.7 . . ?
C30A C31A H31A 121.2 . . ?
C30A C31A C32A 117.6(15) . . ?
C32A C31A H31A 121.2 . . ?
C27A C32A C31A 125.9(16) . . ?
C27A C32A H32A 117.1 . . ?
C31A C32A H32A 117.1 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 P1 C15 C16 -46.6(11) . . . . ?
Au1 P1 C15 C20 143.4(10) . . . . ?
Au1 P1 C21 C22 148.4(11) . . . . ?
Au1 P1 C21 C26 -36.0(12) . . . . ?
Au1 P1 C27 C28 152.8(9) . . . . ?
Au1 P1 C27 C32 -27.2(12) . . . . ?
Au1 O1 C1 O2 4.0(17) . . . . ?
Au1 O1 C1 C2 -177.6(8) . . . . ?
P1 C15 C16 C17 -176.1(10) . . . . ?
P1 C15 C20 C19 176.0(10) . . . . ?
P1 C21 C22 C23 174.3(12) . . . . ?
P1 C21 C26 C25 -173.9(12) . . . . ?
P1 C27 C28 C29 179.8(10) . . . . ?
P1 C27 C32 C31 179.7(10) . . . . ?
O1 C1 C2 C3 -83.8(12) . . . . ?
O1 C1 C2 C13 151.5(11) . . . . ?
O2 C1 C2 C3 94.6(14) . . . . ?
O2 C1 C2 C13 -30.1(17) . . . . ?
O3 C11 C12 C6 -179.4(11) . . . . ?
C1 C2 C3 C4 -88.4(13) . . . . ?
C1 C2 C3 C8 87.4(13) . . . . ?
C2 C3 C4 C5 172.8(11) . . . . ?
C2 C3 C8 C7 -173.7(11) . . . . ?
C3 C4 C5 C6 1.8(18) . . . . ?
C3 C4 C5 C9 -176.0(12) . . . . ?
C4 C3 C8 C7 2.3(18) . . . . ?
C4 C5 C6 C7 0.2(18) . . . . ?
C4 C5 C6 C12 -177.6(11) . . . . ?
C4 C5 C9 C10 177.0(13) . . . . ?
C5 C6 C7 C8 -0.9(19) . . . . ?
C5 C6 C12 C11 -0.7(18) . . . . ?
C5 C9 C10 C11 2(2) . . . . ?
C6 C5 C9 C10 -0.9(19) . . . . ?
C6 C7 C8 C3 -0.4(19) . . . . ?
C7 C6 C12 C11 -178.5(12) . . . . ?
C8 C3 C4 C5 -3.1(18) . . . . ?
C9 C5 C6 C7 178.1(12) . . . . ?
C9 C5 C6 C12 0.3(17) . . . . ?
C9 C10 C11 O3 178.8(12) . . . . ?
C9 C10 C11 C12 -2(2) . . . . ?
C10 C11 C12 C6 1.5(19) . . . . ?
C12 C6 C7 C8 176.9(11) . . . . ?
C13 C2 C3 C4 33.7(17) . . . . ?
C13 C2 C3 C8 -150.5(12) . . . . ?
C14 O3 C11 C10 -174.2(14) . . . . ?
C14 O3 C11 C12 7(2) . . . . ?
C15 P1 C21 C22 21.2(13) . . . . ?
C15 P1 C21 C26 -163.3(11) . . . . ?
C15 P1 C27 C28 -82.8(12) . . . . ?
C15 P1 C27 C32 97.3(11) . . . . ?
C15 C16 C17 C18 3.6(19) . . . . ?
C16 C15 C20 C19 6.3(19) . . . . ?
C16 C17 C18 C19 -2(2) . . . . ?
C17 C18 C19 C20 3(2) . . . . ?
C18 C19 C20 C15 -5(2) . . . . ?
C20 C15 C16 C17 -5.5(19) . . . . ?
C21 P1 C15 C16 79.2(11) . . . . ?
C21 P1 C15 C20 -90.8(12) . . . . ?
C21 P1 C27 C28 30.5(12) . . . . ?
C21 P1 C27 C32 -149.4(10) . . . . ?
C21 C22 C23 C24 0(2) . . . . ?
C22 C21 C26 C25 2(2) . . . . ?
C22 C23 C24 C25 1(3) . . . . ?
C23 C24 C25 C26 0(2) . . . . ?
C24 C25 C26 C21 -1(2) . . . . ?
C26 C21 C22 C23 -1(2) . . . . ?
C27 P1 C15 C16 -169.4(9) . . . . ?
C27 P1 C15 C20 20.6(13) . . . . ?
C27 P1 C21 C22 -89.2(12) . . . . ?
C27 P1 C21 C26 86.3(12) . . . . ?
C27 C28 C29 C30 1.6(19) . . . . ?
C28 C27 C32 C31 -0.2(19) . . . . ?
C28 C29 C30 C31 -3(2) . . . . ?
C29 C30 C31 C32 2(2) . . . . ?
C30 C31 C32 C27 -0.6(19) . . . . ?
C32 C27 C28 C29 -0.3(18) . . . . ?
Au1A P1A C15A C16A 35.7(11) . . . . ?
Au1A P1A C15A C20A -142.0(9) . . . . ?
Au1A P1A C21A C22A 28.9(12) . . . . ?
Au1A P1A C21A C26A -156.0(10) . . . . ?
Au1A P1A C27A C28A 65.1(11) . . . . ?
Au1A P1A C27A C32A -116.6(13) . . . . ?
Au1A O1A C1A O2A 7(2) . . . . ?
Au1A O1A C1A C2A -176.5(9) . . . . ?
P1A C15A C16A C17A -176.3(12) . . . . ?
P1A C15A C20A C19A 176.2(10) . . . . ?
P1A C21A C22A C23A 175.4(12) . . . . ?
P1A C21A C26A C25A -174.1(11) . . . . ?
P1A C27A C28A C29A -179.6(11) . . . . ?
P1A C27A C32A C31A 179.4(11) . . . . ?
O1A C1A C2A C3A -58.3(16) . . . . ?
O1A C1A C2A C13A 176.7(13) . . . . ?
O2A C1A C2A C3A 117.8(18) . . . . ?
O2A C1A C2A C13A -7(2) . . . . ?
O3A C11A C12A C6A 178.8(12) . . . . ?
C1A C2A C3A C4A 121.4(14) . . . . ?
C1A C2A C3A C8A -54.3(16) . . . . ?
C2A C3A C4A C5A -175.6(12) . . . . ?
C2A C3A C8A C7A 176.5(12) . . . . ?
C3A C4A C5A C6A 0(2) . . . . ?
C3A C4A C5A C9A 179.5(12) . . . . ?
C4A C3A C8A C7A 0.5(19) . . . . ?
C4A C5A C6A C7A -1.2(18) . . . . ?
C4A C5A C6A C12A 178.6(11) . . . . ?
C4A C5A C9A C10A -178.7(12) . . . . ?
C5A C6A C7A C8A 2.0(19) . . . . ?
C5A C6A C12A C11A 0.7(18) . . . . ?
C5A C9A C10A C11A 0(2) . . . . ?
C6A C5A C9A C10A 0.6(19) . . . . ?
C6A C7A C8A C3A -1.7(19) . . . . ?
C7A C6A C12A C11A -179.5(12) . . . . ?
C8A C3A C4A C5A 0(2) . . . . ?
C9A C5A C6A C7A 179.5(12) . . . . ?
C9A C5A C6A C12A -0.7(19) . . . . ?
C9A C10A C11A O3A -179.0(12) . . . . ?
C9A C10A C11A C12A 0(2) . . . . ?
C10A C11A C12A C6A -0.5(18) . . . . ?
C12A C6A C7A C8A -177.8(12) . . . . ?
C13A C2A C3A C4A -116.9(15) . . . . ?
C13A C2A C3A C8A 67.4(16) . . . . ?
C14A O3A C11A C10A 178.5(12) . . . . ?
C14A O3A C11A C12A -0.9(19) . . . . ?
C15A P1A C21A C22A -92.1(11) . . . . ?
C15A P1A C21A C26A 82.9(13) . . . . ?
C15A P1A C27A C28A -176.8(10) . . . . ?
C15A P1A C27A C32A 1.6(16) . . . . ?
C15A C16A C17A C18A 0(2) . . . . ?
C16A C15A C20A C19A -1.4(19) . . . . ?
C16A C17A C18A C19A -2(2) . . . . ?
C17A C18A C19A C20A 2(2) . . . . ?
C18A C19A C20A C15A 0(2) . . . . ?
C20A C15A C16A C17A 1(2) . . . . ?
C21A P1A C15A C16A 160.3(10) . . . . ?
C21A P1A C15A C20A -17.4(12) . . . . ?
C21A P1A C27A C28A -63.8(11) . . . . ?
C21A P1A C27A C32A 114.6(15) . . . . ?
C21A C22A C23A C24A 0(2) . . . . ?
C22A C21A C26A C25A 1(2) . . . . ?
C22A C23A C24A C25A -1(3) . . . . ?
C23A C24A C25A C26A 2(2) . . . . ?
C24A C25A C26A C21A -2(2) . . . . ?
C26A C21A C22A C23A 0(2) . . . . ?
C27A P1A C15A C16A -85.8(11) . . . . ?
C27A P1A C15A C20A 96.5(11) . . . . ?
C27A P1A C21A C22A 157.2(11) . . . . ?
C27A P1A C21A C26A -27.8(14) . . . . ?
C27A C28A C29A C30A -2(2) . . . . ?
C28A C27A C32A C31A -2(2) . . . . ?
C28A C29A C30A C31A 2(2) . . . . ?
C29A C30A C31A C32A -2(2) . . . . ?
C30A C31A C32A C27A 2(2) . . . . ?
C32A C27A C28A C29A 2(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.997(16)
2 0.003(16)

_vrf_PLAT971_I                   
;
PROBLEM : Check Calcd Resid. Dens. 0.89A From Au1A 5.72 eA-3. 
RESPONSE:...Electron density is v close to the metal centre. 
;
_vrf_PLAT973_I                   
;
PROBLEM : Check Calcd Positive Resid. Density on Au1 2.21 eA-3.
RESPONSE:... Electron density is v close to the metal centre.
;
####################################################################### 
# 
# 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_21015
_database_code_depnum_ccdc_archive 'CCDC 2175738'
loop_
_audit_author_name
_audit_author_address
'Kuldip Singh'
;University of Leicester
United Kingdom
;
_audit_update_record             
;
2022-05-30 deposited with the CCDC.	2022-12-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H25 Au Cl2 N O2 P'
_chemical_formula_sum            'C32 H25 Au Cl2 N O2 P'
_chemical_formula_weight         754.36

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

_cell_length_a                   11.146(2)
_cell_length_b                   24.058(5)
_cell_length_c                   42.262(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     11333(4)
_cell_formula_units_Z            16
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    878
_cell_measurement_theta_min      2.233
_cell_measurement_theta_max      23.275

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.769
_exptl_crystal_F_000             5888
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.10
_exptl_absorpt_coefficient_mu    5.469
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.377
_exptl_absorpt_correction_T_max  0.831
_exptl_absorpt_process_details   
;
absorption correction based on 15701 reflections(SADABS);Rint 0.1451 before
correction and 0.0664 after.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker Apex 2000 CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            84598
_diffrn_reflns_av_unetI/netI     0.1067
_diffrn_reflns_av_R_equivalents  0.1412
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -52
_diffrn_reflns_limit_l_max       51
_diffrn_reflns_theta_min         1.693
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             11132
_reflns_number_gt                7642
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0242P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11132
_refine_ls_number_parameters     703
_refine_ls_number_restraints     74
_refine_ls_R_factor_all          0.1027
_refine_ls_R_factor_gt           0.0619
_refine_ls_wR_factor_ref         0.1032
_refine_ls_wR_factor_gt          0.0949
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_restrained_S_all      1.074
_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 0.71304(3) 0.96897(2) 0.34661(2) 0.02354(10) Uani 1 1 d . . . . .
Cl1 Cl 1.0118(2) 0.98887(10) 0.38396(6) 0.0365(6) Uani 1 1 d . . . . .
Cl2 Cl 0.9839(3) 1.16729(11) 0.46105(7) 0.0628(9) Uani 1 1 d . . . . .
O1 O 0.7108(5) 1.0246(2) 0.38313(13) 0.0274(15) Uani 1 1 d . . . . .
O2 O 0.5144(6) 1.0174(3) 0.39175(19) 0.057(2) Uani 1 1 d . . . . .
P1 P 0.7359(2) 0.90820(10) 0.30770(6) 0.0235(6) Uani 1 1 d . . . . .
N1 N 0.8838(6) 1.0694(3) 0.42560(17) 0.0241(19) Uani 1 1 d . . . . .
H1 H 0.846086 1.071110 0.407333 0.029 Uiso 1 1 calc R U . . .
C1 C 0.6103(8) 1.0374(4) 0.3973(2) 0.028(2) Uani 1 1 d . . . . .
C2 C 0.6251(8) 1.0836(4) 0.4220(2) 0.031(2) Uani 1 1 d . . . . .
H2A H 0.670267 1.114745 0.412407 0.037 Uiso 1 1 calc R U . . .
H2B H 0.544720 1.097723 0.427911 0.037 Uiso 1 1 calc R U . . .
C3 C 0.6892(8) 1.0652(4) 0.4516(2) 0.029(2) Uani 1 1 d . . . . .
C4 C 0.6251(9) 1.0543(4) 0.4784(3) 0.047(3) Uani 1 1 d . . . . .
H4 H 0.540094 1.056768 0.477423 0.057 Uiso 1 1 calc R U . . .
C5 C 0.6777(11) 1.0396(5) 0.5073(3) 0.056(3) Uani 1 1 d . . . . .
H5 H 0.630520 1.032375 0.525591 0.068 Uiso 1 1 calc R U . . .
C6 C 0.7998(11) 1.0360(4) 0.5081(2) 0.047(3) Uani 1 1 d . . . . .
H6 H 0.838032 1.026550 0.527412 0.056 Uiso 1 1 calc R U . . .
C7 C 0.8689(9) 1.0455(4) 0.4819(2) 0.031(2) Uani 1 1 d . . . . .
H7 H 0.953589 1.041639 0.483221 0.038 Uiso 1 1 calc R U . . .
C8 C 0.8153(8) 1.0611(3) 0.4531(2) 0.024(2) Uani 1 1 d . . . . .
C9 C 1.0077(8) 1.0750(4) 0.4256(2) 0.023(2) Uani 1 1 d . . . . .
C10 C 1.0796(8) 1.0411(4) 0.4067(2) 0.030(2) Uani 1 1 d . . . . .
C11 C 1.2028(9) 1.0477(4) 0.4042(3) 0.049(3) Uani 1 1 d . . . . .
H11 H 1.248552 1.025031 0.390260 0.058 Uiso 1 1 calc R U . . .
C12 C 1.2563(11) 1.0875(5) 0.4221(3) 0.063(4) Uani 1 1 d . U . . .
H12 H 1.341236 1.090790 0.421732 0.076 Uiso 1 1 calc R U . . .
C13 C 1.1926(11) 1.1220(5) 0.4402(3) 0.058(3) Uani 1 1 d . U . . .
H13 H 1.231814 1.149823 0.452345 0.070 Uiso 1 1 calc R U . . .
C14 C 1.0669(10) 1.1168(4) 0.4413(2) 0.043(3) Uani 1 1 d . U . . .
C15 C 0.6125(7) 0.8592(3) 0.3044(2) 0.0201(19) Uani 1 1 d . U . . .
C16 C 0.5420(8) 0.8497(4) 0.3302(2) 0.028(2) Uani 1 1 d . U . . .
H16 H 0.555974 0.869518 0.349251 0.034 Uiso 1 1 calc R U . . .
C17 C 0.4497(8) 0.8110(4) 0.3285(2) 0.037(3) Uani 1 1 d . . . . .
H17 H 0.400639 0.804996 0.346591 0.044 Uiso 1 1 calc R U . . .
C18 C 0.4280(9) 0.7814(4) 0.3017(3) 0.040(3) Uani 1 1 d . . . . .
H18 H 0.364553 0.755065 0.300874 0.048 Uiso 1 1 calc R U . . .
C19 C 0.4999(9) 0.7905(4) 0.2758(2) 0.032(2) Uani 1 1 d . . . . .
H19 H 0.486705 0.769619 0.257028 0.038 Uiso 1 1 calc R U . . .
C20 C 0.5919(8) 0.8299(4) 0.2764(2) 0.026(2) Uani 1 1 d . U . . .
H20 H 0.639524 0.836556 0.258196 0.032 Uiso 1 1 calc R U . . .
C21 C 0.7501(7) 0.9402(4) 0.2689(2) 0.021(2) Uani 1 1 d . . . . .
C22 C 0.6746(8) 0.9841(4) 0.2609(2) 0.033(3) Uani 1 1 d . . . . .
H22 H 0.620800 0.998402 0.276355 0.039 Uiso 1 1 calc R U . . .
C23 C 0.6761(9) 1.0070(4) 0.2315(2) 0.034(3) Uani 1 1 d . . . . .
H23 H 0.623070 1.036625 0.226419 0.041 Uiso 1 1 calc R U . . .
C24 C 0.7540(8) 0.9874(4) 0.2096(2) 0.029(3) Uani 1 1 d . . . . .
H24 H 0.754813 1.003429 0.189028 0.035 Uiso 1 1 calc R U . . .
C25 C 0.8317(9) 0.9446(4) 0.2164(2) 0.038(3) Uani 1 1 d . . . . .
H25 H 0.886421 0.931596 0.200804 0.045 Uiso 1 1 calc R U . . .
C26 C 0.8292(8) 0.9208(4) 0.2463(2) 0.037(3) Uani 1 1 d . . . . .
H26 H 0.882130 0.891123 0.251203 0.045 Uiso 1 1 calc R U . . .
C27 C 0.8700(8) 0.8656(3) 0.31308(19) 0.018(2) Uani 1 1 d . . . . .
C28 C 0.9791(8) 0.8930(4) 0.3183(2) 0.031(2) Uani 1 1 d . . . . .
H28 H 0.981586 0.932497 0.318697 0.037 Uiso 1 1 calc R U . . .
C29 C 1.0833(8) 0.8628(4) 0.3229(3) 0.045(3) Uani 1 1 d . . . . .
H29 H 1.156855 0.881487 0.326761 0.053 Uiso 1 1 calc R U . . .
C30 C 1.0805(9) 0.8063(4) 0.3218(2) 0.034(3) Uani 1 1 d . . . . .
H30 H 1.152135 0.785733 0.325098 0.040 Uiso 1 1 calc R U . . .
C31 C 0.9735(8) 0.7784(4) 0.3158(2) 0.032(2) Uani 1 1 d . . . . .
H31 H 0.972114 0.738981 0.314603 0.038 Uiso 1 1 calc R U . . .
C32 C 0.8683(8) 0.8089(4) 0.3117(2) 0.026(2) Uani 1 1 d . . . . .
H32 H 0.794762 0.790058 0.307817 0.031 Uiso 1 1 calc R U . . .
Au1A Au 0.42403(3) 0.21711(2) 0.39272(2) 0.02613(10) Uani 1 1 d . . . . .
Cl1A Cl 0.8959(2) 0.05792(10) 0.30676(6) 0.0295(6) Uani 1 1 d . . . . .
Cl2A Cl 0.7461(2) 0.22408(11) 0.38377(6) 0.0353(6) Uani 1 1 d . . . . .
O1A O 0.4806(5) 0.1534(3) 0.36412(15) 0.0314(16) Uani 1 1 d . U . . .
O2A O 0.3230(6) 0.1645(3) 0.33201(17) 0.050(2) Uani 1 1 d . U . . .
P1A P 0.38413(19) 0.28476(10) 0.42673(5) 0.0202(5) Uani 1 1 d . . . . .
N1A N 0.7114(6) 0.1345(3) 0.33472(16) 0.0221(17) Uani 1 1 d . . . . .
H1A H 0.657748 0.124458 0.348899 0.027 Uiso 1 1 calc R U . . .
C1A C 0.4154(9) 0.1415(4) 0.3399(2) 0.032(2) Uani 1 1 d . U . . .
C2A C 0.4744(8) 0.0964(4) 0.3183(2) 0.031(2) Uani 1 1 d . U . . .
H2A1 H 0.519561 0.069711 0.331604 0.037 Uiso 1 1 calc R U . . .
H2A2 H 0.411023 0.075571 0.306962 0.037 Uiso 1 1 calc R U . . .
C3A C 0.5590(8) 0.1230(3) 0.2945(2) 0.021(2) Uani 1 1 d . . . . .
C4A C 0.5222(8) 0.1305(4) 0.2640(2) 0.025(2) Uani 1 1 d . . . . .
H4A H 0.443879 0.118921 0.258062 0.030 Uiso 1 1 calc R U . . .
C5A C 0.5951(9) 0.1543(4) 0.2418(2) 0.036(3) Uani 1 1 d . . . . .
H5A H 0.568714 0.158253 0.220577 0.043 Uiso 1 1 calc R U . . .
C6A C 0.7090(8) 0.1729(4) 0.2508(2) 0.030(2) Uani 1 1 d . . . . .
H6A H 0.760345 0.189644 0.235601 0.036 Uiso 1 1 calc R U . . .
C7A C 0.7475(7) 0.1669(4) 0.2820(2) 0.024(2) Uani 1 1 d . . . . .
H7A H 0.823951 0.180355 0.288284 0.029 Uiso 1 1 calc R U . . .
C8A C 0.6732(7) 0.1410(4) 0.3036(2) 0.023(2) Uani 1 1 d . . . . .
C9A C 0.8291(7) 0.1428(4) 0.3450(2) 0.021(2) Uani 1 1 d . . . . .
C10A C 0.9253(8) 0.1118(4) 0.33294(18) 0.021(2) Uani 1 1 d . . . . .
C11A C 1.0429(7) 0.1225(4) 0.3417(2) 0.023(2) Uani 1 1 d . . . . .
H11A H 1.106444 0.102048 0.332298 0.028 Uiso 1 1 calc R U . . .
C12A C 1.0681(8) 0.1627(4) 0.3640(2) 0.031(2) Uani 1 1 d . . . . .
H12A H 1.148604 0.169573 0.370224 0.037 Uiso 1 1 calc R U . . .
C13A C 0.9747(8) 0.1928(4) 0.3771(2) 0.030(2) Uani 1 1 d . . . . .
H13A H 0.990568 0.219860 0.392902 0.036 Uiso 1 1 calc R U . . .
C14A C 0.8594(8) 0.1835(3) 0.3672(2) 0.020(2) Uani 1 1 d . . . . .
C15A C 0.5083(7) 0.3336(3) 0.4298(2) 0.019(2) Uani 1 1 d . . . . .
C16A C 0.5870(8) 0.3392(4) 0.4047(2) 0.025(2) Uani 1 1 d . . . . .
H16A H 0.576123 0.317659 0.386120 0.029 Uiso 1 1 calc R U . . .
C17A C 0.6818(7) 0.3762(4) 0.4067(2) 0.022(2) Uani 1 1 d . . . . .
H17A H 0.737650 0.379169 0.389801 0.027 Uiso 1 1 calc R U . . .
C18A C 0.6944(8) 0.4086(4) 0.4332(2) 0.031(2) Uani 1 1 d . . . . .
H18A H 0.757304 0.435233 0.434046 0.037 Uiso 1 1 calc R U . . .
C19A C 0.6172(8) 0.4032(4) 0.4586(2) 0.032(3) Uani 1 1 d . . . . .
H19A H 0.627924 0.424948 0.477200 0.039 Uiso 1 1 calc R U . . .
C20A C 0.5254(8) 0.3660(4) 0.4564(2) 0.025(2) Uani 1 1 d . . . . .
H20A H 0.471530 0.362144 0.473727 0.030 Uiso 1 1 calc R U . . .
C21A C 0.2506(6) 0.3257(4) 0.4188(2) 0.018(2) Uani 1 1 d D . . . .
C22A C 0.2551(8) 0.3804(4) 0.4109(3) 0.046(3) Uani 1 1 d . . . . .
H22A H 0.330305 0.398501 0.408576 0.056 Uiso 1 1 calc R U . . .
C23A C 0.1492(9) 0.4097(4) 0.4063(3) 0.053(3) Uani 1 1 d . U . . .
H23A H 0.153609 0.447986 0.400929 0.063 Uiso 1 1 calc R U . . .
C24A C 0.0397(8) 0.3856(4) 0.4091(3) 0.042(3) Uani 1 1 d D U . . .
H24A H -0.031670 0.406762 0.406870 0.051 Uiso 1 1 calc R U . . .
C25A C 0.0354(8) 0.3302(4) 0.4153(2) 0.034(2) Uani 1 1 d D U . . .
H25A H -0.040015 0.311937 0.416637 0.041 Uiso 1 1 calc R U . . .
C26A C 0.1400(7) 0.3002(4) 0.4197(2) 0.031(3) Uani 1 1 d D . . . .
H26A H 0.135445 0.261321 0.423396 0.038 Uiso 1 1 calc R U . . .
C27A C 0.3561(8) 0.2588(4) 0.4666(2) 0.026(2) Uani 1 1 d . . . . .
C28A C 0.2764(8) 0.2834(5) 0.4869(2) 0.055(3) Uani 1 1 d . . . . .
H28A H 0.236253 0.316572 0.480841 0.066 Uiso 1 1 calc R U . . .
C29A C 0.2544(10) 0.2600(6) 0.5162(3) 0.073(4) Uani 1 1 d . U . . .
H29A H 0.198154 0.276939 0.530081 0.088 Uiso 1 1 calc R U . . .
C30A C 0.3116(11) 0.2135(6) 0.5254(3) 0.071(3) Uani 1 1 d . U . . .
H30A H 0.293714 0.197648 0.545410 0.086 Uiso 1 1 calc R U . . .
C31A C 0.3938(11) 0.1892(5) 0.5067(3) 0.062(3) Uani 1 1 d . U . . .
H31A H 0.436066 0.157124 0.513639 0.075 Uiso 1 1 calc R U . . .
C32A C 0.4161(10) 0.2122(4) 0.4765(2) 0.048(3) Uani 1 1 d . U . . .
H32A H 0.473316 0.195212 0.462943 0.058 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 O1 2.044(6) . ?
Au1 P1 2.215(3) . ?
Cl1 C10 1.752(10) . ?
Cl2 C14 1.741(11) . ?
O1 C1 1.305(10) . ?
O2 C1 1.195(10) . ?
P1 C15 1.817(9) . ?
P1 C21 1.818(10) . ?
P1 C27 1.827(9) . ?
N1 C9 1.387(10) . ?
N1 C8 1.403(10) . ?
N1 H1 0.8800 . ?
C1 C2 1.537(12) . ?
C2 C3 1.505(12) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.366(12) . ?
C3 C8 1.411(12) . ?
C4 C5 1.401(14) . ?
C4 H4 0.9500 . ?
C5 C6 1.363(14) . ?
C5 H5 0.9500 . ?
C6 C7 1.366(12) . ?
C6 H6 0.9500 . ?
C7 C8 1.409(12) . ?
C7 H7 0.9500 . ?
C9 C14 1.373(12) . ?
C9 C10 1.397(12) . ?
C10 C11 1.386(12) . ?
C11 C12 1.359(15) . ?
C11 H11 0.9500 . ?
C12 C13 1.334(16) . ?
C12 H12 0.9500 . ?
C13 C14 1.407(14) . ?
C13 H13 0.9500 . ?
C15 C16 1.360(12) . ?
C15 C20 1.397(11) . ?
C16 C17 1.390(12) . ?
C16 H16 0.9500 . ?
C17 C18 1.361(13) . ?
C17 H17 0.9500 . ?
C18 C19 1.375(13) . ?
C18 H18 0.9500 . ?
C19 C20 1.395(12) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C26 1.381(12) . ?
C21 C22 1.394(12) . ?
C22 C23 1.359(12) . ?
C22 H22 0.9500 . ?
C23 C24 1.357(12) . ?
C23 H23 0.9500 . ?
C24 C25 1.374(12) . ?
C24 H24 0.9500 . ?
C25 C26 1.388(12) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C32 1.365(11) . ?
C27 C28 1.401(11) . ?
C28 C29 1.384(12) . ?
C28 H28 0.9500 . ?
C29 C30 1.360(12) . ?
C29 H29 0.9500 . ?
C30 C31 1.392(12) . ?
C30 H30 0.9500 . ?
C31 C32 1.394(11) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
Au1A O1A 2.050(6) . ?
Au1A P1A 2.216(2) . ?
Cl1A C10A 1.735(9) . ?
Cl2A C14A 1.743(9) . ?
O1A C1A 1.289(11) . ?
O2A C1A 1.216(11) . ?
P1A C21A 1.815(8) . ?
P1A C15A 1.820(9) . ?
P1A C27A 1.822(9) . ?
N1A C8A 1.392(10) . ?
N1A C9A 1.396(9) . ?
N1A H1A 0.8800 . ?
C1A C2A 1.562(12) . ?
C2A C3A 1.523(11) . ?
C2A H2A1 0.9900 . ?
C2A H2A2 0.9900 . ?
C3A C4A 1.362(11) . ?
C3A C8A 1.398(11) . ?
C4A C5A 1.367(12) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.398(12) . ?
C5A H5A 0.9500 . ?
C6A C7A 1.393(12) . ?
C6A H6A 0.9500 . ?
C7A C8A 1.381(11) . ?
C7A H7A 0.9500 . ?
C9A C14A 1.399(11) . ?
C9A C10A 1.402(11) . ?
C10A C11A 1.386(11) . ?
C11A C12A 1.377(12) . ?
C11A H11A 0.9500 . ?
C12A C13A 1.385(12) . ?
C12A H12A 0.9500 . ?
C13A C14A 1.370(11) . ?
C13A H13A 0.9500 . ?
C15A C16A 1.382(11) . ?
C15A C20A 1.383(11) . ?
C16A C17A 1.383(11) . ?
C16A H16A 0.9500 . ?
C17A C18A 1.371(12) . ?
C17A H17A 0.9500 . ?
C18A C19A 1.385(12) . ?
C18A H18A 0.9500 . ?
C19A C20A 1.364(11) . ?
C19A H19A 0.9500 . ?
C20A H20A 0.9500 . ?
C21A C22A 1.359(12) . ?
C21A C26A 1.377(8) . ?
C22A C23A 1.388(12) . ?
C22A H22A 0.9500 . ?
C23A C24A 1.356(13) . ?
C23A H23A 0.9500 . ?
C24A C25A 1.359(8) . ?
C24A H24A 0.9500 . ?
C25A C26A 1.384(11) . ?
C25A H25A 0.9500 . ?
C26A H26A 0.9500 . ?
C27A C28A 1.370(13) . ?
C27A C32A 1.372(13) . ?
C28A C29A 1.384(14) . ?
C28A H28A 0.9500 . ?
C29A C30A 1.343(16) . ?
C29A H29A 0.9500 . ?
C30A C31A 1.344(16) . ?
C30A H30A 0.9500 . ?
C31A C32A 1.413(14) . ?
C31A H31A 0.9500 . ?
C32A H32A 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
O1 Au1 P1 174.06(18) . . ?
C1 O1 Au1 120.6(6) . . ?
C15 P1 C21 105.8(4) . . ?
C15 P1 C27 105.3(4) . . ?
C21 P1 C27 106.2(4) . . ?
C15 P1 Au1 113.4(3) . . ?
C21 P1 Au1 113.6(3) . . ?
C27 P1 Au1 111.9(3) . . ?
C9 N1 C8 123.7(7) . . ?
C9 N1 H1 118.2 . . ?
C8 N1 H1 118.2 . . ?
O2 C1 O1 125.8(9) . . ?
O2 C1 C2 121.3(9) . . ?
O1 C1 C2 112.9(8) . . ?
C3 C2 C1 113.8(8) . . ?
C3 C2 H2A 108.8 . . ?
C1 C2 H2A 108.8 . . ?
C3 C2 H2B 108.8 . . ?
C1 C2 H2B 108.8 . . ?
H2A C2 H2B 107.7 . . ?
C4 C3 C8 118.1(9) . . ?
C4 C3 C2 119.8(9) . . ?
C8 C3 C2 122.0(8) . . ?
C3 C4 C5 123.6(10) . . ?
C3 C4 H4 118.2 . . ?
C5 C4 H4 118.2 . . ?
C6 C5 C4 117.0(10) . . ?
C6 C5 H5 121.5 . . ?
C4 C5 H5 121.5 . . ?
C5 C6 C7 122.3(11) . . ?
C5 C6 H6 118.9 . . ?
C7 C6 H6 118.9 . . ?
C6 C7 C8 120.3(10) . . ?
C6 C7 H7 119.8 . . ?
C8 C7 H7 119.8 . . ?
N1 C8 C7 121.5(8) . . ?
N1 C8 C3 119.7(8) . . ?
C7 C8 C3 118.7(8) . . ?
C14 C9 N1 123.4(9) . . ?
C14 C9 C10 115.4(9) . . ?
N1 C9 C10 120.9(8) . . ?
C11 C10 C9 123.0(10) . . ?
C11 C10 Cl1 117.9(8) . . ?
C9 C10 Cl1 119.1(7) . . ?
C12 C11 C10 118.3(11) . . ?
C12 C11 H11 120.9 . . ?
C10 C11 H11 120.9 . . ?
C13 C12 C11 121.6(12) . . ?
C13 C12 H12 119.2 . . ?
C11 C12 H12 119.2 . . ?
C12 C13 C14 119.6(12) . . ?
C12 C13 H13 120.2 . . ?
C14 C13 H13 120.2 . . ?
C9 C14 C13 121.9(11) . . ?
C9 C14 Cl2 119.1(8) . . ?
C13 C14 Cl2 118.9(9) . . ?
C16 C15 C20 119.8(8) . . ?
C16 C15 P1 119.1(7) . . ?
C20 C15 P1 121.1(7) . . ?
C15 C16 C17 120.0(9) . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
C18 C17 C16 121.6(10) . . ?
C18 C17 H17 119.2 . . ?
C16 C17 H17 119.2 . . ?
C17 C18 C19 118.5(10) . . ?
C17 C18 H18 120.8 . . ?
C19 C18 H18 120.8 . . ?
C18 C19 C20 121.4(9) . . ?
C18 C19 H19 119.3 . . ?
C20 C19 H19 119.3 . . ?
C19 C20 C15 118.7(9) . . ?
C19 C20 H20 120.6 . . ?
C15 C20 H20 120.6 . . ?
C26 C21 C22 118.3(9) . . ?
C26 C21 P1 122.5(7) . . ?
C22 C21 P1 119.1(7) . . ?
C23 C22 C21 121.4(9) . . ?
C23 C22 H22 119.3 . . ?
C21 C22 H22 119.3 . . ?
C24 C23 C22 119.5(9) . . ?
C24 C23 H23 120.3 . . ?
C22 C23 H23 120.3 . . ?
C23 C24 C25 121.4(9) . . ?
C23 C24 H24 119.3 . . ?
C25 C24 H24 119.3 . . ?
C24 C25 C26 119.1(9) . . ?
C24 C25 H25 120.5 . . ?
C26 C25 H25 120.5 . . ?
C21 C26 C25 120.3(9) . . ?
C21 C26 H26 119.9 . . ?
C25 C26 H26 119.9 . . ?
C32 C27 C28 119.4(8) . . ?
C32 C27 P1 122.9(7) . . ?
C28 C27 P1 117.7(6) . . ?
C29 C28 C27 120.1(9) . . ?
C29 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
C30 C29 C28 120.1(9) . . ?
C30 C29 H29 119.9 . . ?
C28 C29 H29 119.9 . . ?
C29 C30 C31 120.5(9) . . ?
C29 C30 H30 119.7 . . ?
C31 C30 H30 119.7 . . ?
C30 C31 C32 119.4(9) . . ?
C30 C31 H31 120.3 . . ?
C32 C31 H31 120.3 . . ?
C27 C32 C31 120.5(9) . . ?
C27 C32 H32 119.7 . . ?
C31 C32 H32 119.7 . . ?
O1A Au1A P1A 172.94(18) . . ?
C1A O1A Au1A 117.5(6) . . ?
C21A P1A C15A 106.6(4) . . ?
C21A P1A C27A 102.4(4) . . ?
C15A P1A C27A 106.6(4) . . ?
C21A P1A Au1A 116.3(3) . . ?
C15A P1A Au1A 111.6(3) . . ?
C27A P1A Au1A 112.5(3) . . ?
C8A N1A C9A 124.4(7) . . ?
C8A N1A H1A 117.8 . . ?
C9A N1A H1A 117.8 . . ?
O2A C1A O1A 126.4(9) . . ?
O2A C1A C2A 120.9(9) . . ?
O1A C1A C2A 112.4(8) . . ?
C3A C2A C1A 110.8(7) . . ?
C3A C2A H2A1 109.5 . . ?
C1A C2A H2A1 109.5 . . ?
C3A C2A H2A2 109.5 . . ?
C1A C2A H2A2 109.5 . . ?
H2A1 C2A H2A2 108.1 . . ?
C4A C3A C8A 119.6(8) . . ?
C4A C3A C2A 119.6(8) . . ?
C8A C3A C2A 120.7(8) . . ?
C3A C4A C5A 121.6(9) . . ?
C3A C4A H4A 119.2 . . ?
C5A C4A H4A 119.2 . . ?
C4A C5A C6A 119.2(9) . . ?
C4A C5A H5A 120.4 . . ?
C6A C5A H5A 120.4 . . ?
C7A C6A C5A 120.2(9) . . ?
C7A C6A H6A 119.9 . . ?
C5A C6A H6A 119.9 . . ?
C8A C7A C6A 119.2(8) . . ?
C8A C7A H7A 120.4 . . ?
C6A C7A H7A 120.4 . . ?
C7A C8A N1A 119.5(8) . . ?
C7A C8A C3A 120.1(8) . . ?
N1A C8A C3A 120.3(8) . . ?
N1A C9A C14A 122.3(8) . . ?
N1A C9A C10A 122.1(8) . . ?
C14A C9A C10A 115.5(8) . . ?
C11A C10A C9A 121.9(8) . . ?
C11A C10A Cl1A 119.2(7) . . ?
C9A C10A Cl1A 118.9(7) . . ?
C12A C11A C10A 120.4(8) . . ?
C12A C11A H11A 119.8 . . ?
C10A C11A H11A 119.8 . . ?
C11A C12A C13A 119.1(9) . . ?
C11A C12A H12A 120.4 . . ?
C13A C12A H12A 120.4 . . ?
C14A C13A C12A 119.8(9) . . ?
C14A C13A H13A 120.1 . . ?
C12A C13A H13A 120.1 . . ?
C13A C14A C9A 123.1(8) . . ?
C13A C14A Cl2A 117.7(7) . . ?
C9A C14A Cl2A 119.2(7) . . ?
C16A C15A C20A 118.8(8) . . ?
C16A C15A P1A 119.5(7) . . ?
C20A C15A P1A 121.7(7) . . ?
C15A C16A C17A 120.1(8) . . ?
C15A C16A H16A 119.9 . . ?
C17A C16A H16A 119.9 . . ?
C18A C17A C16A 119.6(8) . . ?
C18A C17A H17A 120.2 . . ?
C16A C17A H17A 120.2 . . ?
C17A C18A C19A 121.2(9) . . ?
C17A C18A H18A 119.4 . . ?
C19A C18A H18A 119.4 . . ?
C20A C19A C18A 118.4(9) . . ?
C20A C19A H19A 120.8 . . ?
C18A C19A H19A 120.8 . . ?
C19A C20A C15A 121.9(8) . . ?
C19A C20A H20A 119.0 . . ?
C15A C20A H20A 119.0 . . ?
C22A C21A C26A 118.1(8) . . ?
C22A C21A P1A 122.7(6) . . ?
C26A C21A P1A 119.2(7) . . ?
C21A C22A C23A 119.7(9) . . ?
C21A C22A H22A 120.2 . . ?
C23A C22A H22A 120.2 . . ?
C24A C23A C22A 122.3(10) . . ?
C24A C23A H23A 118.8 . . ?
C22A C23A H23A 118.8 . . ?
C23A C24A C25A 117.9(9) . . ?
C23A C24A H24A 121.0 . . ?
C25A C24A H24A 121.0 . . ?
C24A C25A C26A 120.5(9) . . ?
C24A C25A H25A 119.8 . . ?
C26A C25A H25A 119.8 . . ?
C21A C26A C25A 121.3(8) . . ?
C21A C26A H26A 119.4 . . ?
C25A C26A H26A 119.4 . . ?
C28A C27A C32A 118.5(10) . . ?
C28A C27A P1A 122.9(8) . . ?
C32A C27A P1A 118.6(8) . . ?
C27A C28A C29A 120.0(12) . . ?
C27A C28A H28A 120.0 . . ?
C29A C28A H28A 120.0 . . ?
C30A C29A C28A 120.8(14) . . ?
C30A C29A H29A 119.6 . . ?
C28A C29A H29A 119.6 . . ?
C29A C30A C31A 121.1(13) . . ?
C29A C30A H30A 119.4 . . ?
C31A C30A H30A 119.4 . . ?
C30A C31A C32A 118.6(13) . . ?
C30A C31A H31A 120.7 . . ?
C32A C31A H31A 120.7 . . ?
C27A C32A C31A 120.8(12) . . ?
C27A C32A H32A 119.6 . . ?
C31A C32A H32A 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
Au1 O1 C1 O2 3.2(13) . . . . ?
Au1 O1 C1 C2 -174.9(5) . . . . ?
O2 C1 C2 C3 109.3(11) . . . . ?
O1 C1 C2 C3 -72.5(10) . . . . ?
C1 C2 C3 C4 -102.3(10) . . . . ?
C1 C2 C3 C8 80.4(11) . . . . ?
C8 C3 C4 C5 0.5(16) . . . . ?
C2 C3 C4 C5 -176.9(10) . . . . ?
C3 C4 C5 C6 -0.3(17) . . . . ?
C4 C5 C6 C7 -0.8(16) . . . . ?
C5 C6 C7 C8 1.7(15) . . . . ?
C9 N1 C8 C7 -14.4(13) . . . . ?
C9 N1 C8 C3 169.2(8) . . . . ?
C6 C7 C8 N1 -177.9(8) . . . . ?
C6 C7 C8 C3 -1.5(13) . . . . ?
C4 C3 C8 N1 176.9(9) . . . . ?
C2 C3 C8 N1 -5.8(13) . . . . ?
C4 C3 C8 C7 0.4(13) . . . . ?
C2 C3 C8 C7 177.7(8) . . . . ?
C8 N1 C9 C14 -60.9(12) . . . . ?
C8 N1 C9 C10 125.9(9) . . . . ?
C14 C9 C10 C11 1.5(13) . . . . ?
N1 C9 C10 C11 175.2(8) . . . . ?
C14 C9 C10 Cl1 -176.5(7) . . . . ?
N1 C9 C10 Cl1 -2.8(12) . . . . ?
C9 C10 C11 C12 3.0(15) . . . . ?
Cl1 C10 C11 C12 -178.9(8) . . . . ?
C10 C11 C12 C13 -4.3(17) . . . . ?
C11 C12 C13 C14 1.0(19) . . . . ?
N1 C9 C14 C13 -178.5(9) . . . . ?
C10 C9 C14 C13 -5.0(14) . . . . ?
N1 C9 C14 Cl2 -2.5(13) . . . . ?
C10 C9 C14 Cl2 171.0(7) . . . . ?
C12 C13 C14 C9 3.9(17) . . . . ?
C12 C13 C14 Cl2 -172.0(9) . . . . ?
C21 P1 C15 C16 -147.6(7) . . . . ?
C27 P1 C15 C16 100.2(7) . . . . ?
Au1 P1 C15 C16 -22.4(8) . . . . ?
C21 P1 C15 C20 34.8(8) . . . . ?
C27 P1 C15 C20 -77.4(8) . . . . ?
Au1 P1 C15 C20 160.0(6) . . . . ?
C20 C15 C16 C17 -0.1(13) . . . . ?
P1 C15 C16 C17 -177.8(7) . . . . ?
C15 C16 C17 C18 0.7(15) . . . . ?
C16 C17 C18 C19 0.0(15) . . . . ?
C17 C18 C19 C20 -1.3(15) . . . . ?
C18 C19 C20 C15 1.8(14) . . . . ?
C16 C15 C20 C19 -1.1(13) . . . . ?
P1 C15 C20 C19 176.5(6) . . . . ?
C15 P1 C21 C26 -94.7(8) . . . . ?
C27 P1 C21 C26 16.9(9) . . . . ?
Au1 P1 C21 C26 140.3(7) . . . . ?
C15 P1 C21 C22 82.1(8) . . . . ?
C27 P1 C21 C22 -166.3(7) . . . . ?
Au1 P1 C21 C22 -43.0(8) . . . . ?
C26 C21 C22 C23 1.3(14) . . . . ?
P1 C21 C22 C23 -175.6(7) . . . . ?
C21 C22 C23 C24 -1.0(15) . . . . ?
C22 C23 C24 C25 -0.1(15) . . . . ?
C23 C24 C25 C26 0.8(15) . . . . ?
C22 C21 C26 C25 -0.6(14) . . . . ?
P1 C21 C26 C25 176.2(7) . . . . ?
C24 C25 C26 C21 -0.4(15) . . . . ?
C15 P1 C27 C32 5.1(9) . . . . ?
C21 P1 C27 C32 -106.8(8) . . . . ?
Au1 P1 C27 C32 128.8(7) . . . . ?
C15 P1 C27 C28 -176.1(7) . . . . ?
C21 P1 C27 C28 72.0(8) . . . . ?
Au1 P1 C27 C28 -52.4(7) . . . . ?
C32 C27 C28 C29 -1.9(14) . . . . ?
P1 C27 C28 C29 179.3(8) . . . . ?
C27 C28 C29 C30 1.1(15) . . . . ?
C28 C29 C30 C31 0.5(16) . . . . ?
C29 C30 C31 C32 -1.4(15) . . . . ?
C28 C27 C32 C31 1.0(13) . . . . ?
P1 C27 C32 C31 179.7(7) . . . . ?
C30 C31 C32 C27 0.7(14) . . . . ?
Au1A O1A C1A O2A 0.5(13) . . . . ?
Au1A O1A C1A C2A 174.4(5) . . . . ?
O2A C1A C2A C3A 87.8(11) . . . . ?
O1A C1A C2A C3A -86.5(10) . . . . ?
C1A C2A C3A C4A -101.1(10) . . . . ?
C1A C2A C3A C8A 77.5(10) . . . . ?
C8A C3A C4A C5A 1.3(13) . . . . ?
C2A C3A C4A C5A 179.9(8) . . . . ?
C3A C4A C5A C6A -1.8(14) . . . . ?
C4A C5A C6A C7A 0.3(13) . . . . ?
C5A C6A C7A C8A 1.8(13) . . . . ?
C6A C7A C8A N1A 179.5(8) . . . . ?
C6A C7A C8A C3A -2.3(13) . . . . ?
C9A N1A C8A C7A -12.6(13) . . . . ?
C9A N1A C8A C3A 169.3(8) . . . . ?
C4A C3A C8A C7A 0.8(13) . . . . ?
C2A C3A C8A C7A -177.8(8) . . . . ?
C4A C3A C8A N1A 179.0(8) . . . . ?
C2A C3A C8A N1A 0.3(13) . . . . ?
C8A N1A C9A C14A 118.0(10) . . . . ?
C8A N1A C9A C10A -60.1(12) . . . . ?
N1A C9A C10A C11A 175.9(8) . . . . ?
C14A C9A C10A C11A -2.4(12) . . . . ?
N1A C9A C10A Cl1A -5.0(12) . . . . ?
C14A C9A C10A Cl1A 176.7(6) . . . . ?
C9A C10A C11A C12A 3.3(13) . . . . ?
Cl1A C10A C11A C12A -175.9(7) . . . . ?
C10A C11A C12A C13A -1.1(14) . . . . ?
C11A C12A C13A C14A -1.8(14) . . . . ?
C12A C13A C14A C9A 2.7(14) . . . . ?
C12A C13A C14A Cl2A -178.2(7) . . . . ?
N1A C9A C14A C13A -178.9(8) . . . . ?
C10A C9A C14A C13A -0.6(13) . . . . ?
N1A C9A C14A Cl2A 2.1(12) . . . . ?
C10A C9A C14A Cl2A -179.6(6) . . . . ?
C21A P1A C15A C16A -102.9(7) . . . . ?
C27A P1A C15A C16A 148.2(7) . . . . ?
Au1A P1A C15A C16A 25.1(8) . . . . ?
C21A P1A C15A C20A 76.3(8) . . . . ?
C27A P1A C15A C20A -32.6(8) . . . . ?
Au1A P1A C15A C20A -155.7(6) . . . . ?
C20A C15A C16A C17A 0.7(13) . . . . ?
P1A C15A C16A C17A 180.0(6) . . . . ?
C15A C16A C17A C18A -2.3(13) . . . . ?
C16A C17A C18A C19A 2.9(14) . . . . ?
C17A C18A C19A C20A -2.0(14) . . . . ?
C18A C19A C20A C15A 0.4(14) . . . . ?
C16A C15A C20A C19A 0.2(13) . . . . ?
P1A C15A C20A C19A -179.0(7) . . . . ?
C15A P1A C21A C22A 11.3(10) . . . . ?
C27A P1A C21A C22A 123.1(9) . . . . ?
Au1A P1A C21A C22A -113.8(8) . . . . ?
C15A P1A C21A C26A -171.1(7) . . . . ?
C27A P1A C21A C26A -59.3(8) . . . . ?
Au1A P1A C21A C26A 63.8(8) . . . . ?
C26A C21A C22A C23A 4.6(16) . . . . ?
P1A C21A C22A C23A -177.7(8) . . . . ?
C21A C22A C23A C24A -0.5(18) . . . . ?
C22A C23A C24A C25A -3.1(17) . . . . ?
C23A C24A C25A C26A 2.4(16) . . . . ?
C22A C21A C26A C25A -5.3(14) . . . . ?
P1A C21A C26A C25A 176.9(7) . . . . ?
C24A C25A C26A C21A 1.8(15) . . . . ?
C21A P1A C27A C28A -20.8(9) . . . . ?
C15A P1A C27A C28A 91.0(9) . . . . ?
Au1A P1A C27A C28A -146.4(8) . . . . ?
C21A P1A C27A C32A 158.3(7) . . . . ?
C15A P1A C27A C32A -89.9(8) . . . . ?
Au1A P1A C27A C32A 32.7(8) . . . . ?
C32A C27A C28A C29A -2.6(16) . . . . ?
P1A C27A C28A C29A 176.6(8) . . . . ?
C27A C28A C29A C30A 1.0(18) . . . . ?
C28A C29A C30A C31A 2(2) . . . . ?
C29A C30A C31A C32A -2.3(18) . . . . ?
C28A C27A C32A C31A 1.8(14) . . . . ?
P1A C27A C32A C31A -177.4(7) . . . . ?
C30A C31A C32A C27A 0.7(16) . . . . ?

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
_geom_hbond_publ_flag
N1 H1 O1 0.88 2.14 2.846(9) 137.0 . yes
N1A H1A O1A 0.88 2.19 2.892(9) 136.5 . yes

_refine_diff_density_max         1.493
_refine_diff_density_min         -1.286
_refine_diff_density_rms         0.168




####################################################################### 
# 
# 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_21024
_database_code_depnum_ccdc_archive 'CCDC 2175737'
loop_
_audit_author_name
_audit_author_address
'Kuldip Singh'
;University of Leicester
United Kingdom
;
_audit_update_record             
;
2022-05-30 deposited with the CCDC.	2022-12-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C25 H20 Au O3 P'
_chemical_formula_sum            'C25 H20 Au O3 P'
_chemical_formula_weight         596.35

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'
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                   13.545(3)
_cell_length_b                   11.373(3)
_cell_length_c                   27.757(6)
_cell_angle_alpha                90
_cell_angle_beta                 100.052(4)
_cell_angle_gamma                90
_cell_volume                     4210.0(16)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    922
_cell_measurement_theta_min      2.330
_cell_measurement_theta_max      28.250

_exptl_crystal_description       block
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.882
_exptl_crystal_F_000             2304
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.19
_exptl_absorpt_coefficient_mu    7.089
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.561
_exptl_absorpt_correction_T_max  0.831
_exptl_absorpt_process_details   
;
absoprtion correction based on 14135 reflections(SADABS);Rint 0.0912 before
correction and 0.0571 after.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker Apex 2000 CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            31989
_diffrn_reflns_av_unetI/netI     0.0754
_diffrn_reflns_av_R_equivalents  0.0753
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         1.490
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             8262
_reflns_number_gt                6367
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0261P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8262
_refine_ls_number_parameters     541
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0580
_refine_ls_R_factor_gt           0.0395
_refine_ls_wR_factor_ref         0.0773
_refine_ls_wR_factor_gt          0.0737
_refine_ls_goodness_of_fit_ref   0.964
_refine_ls_restrained_S_all      0.964
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.88079(2) 0.57228(2) 0.18287(2) 0.02088(8) Uani 1 1 d . . . . .
O1 O 0.9349(3) 0.4467(4) 0.13986(16) 0.0275(11) Uani 1 1 d . . . . .
O2 O 0.7810(4) 0.3768(4) 0.11694(18) 0.0330(13) Uani 1 1 d . . . . .
O3 O 0.7571(3) 0.1982(4) 0.05826(17) 0.0338(12) Uani 1 1 d . . . . .
H3 H 0.741284 0.245549 0.078872 0.051 Uiso 1 1 calc R U . . .
P1 P 0.83658(13) 0.71348(15) 0.22949(6) 0.0203(4) Uani 1 1 d . . . . .
C1 C 0.8699(6) 0.3846(6) 0.1127(3) 0.0271(17) Uani 1 1 d . . . . .
C2 C 0.9086(5) 0.3132(5) 0.0751(2) 0.0198(15) Uani 1 1 d . . . . .
C3 C 0.8498(5) 0.2223(6) 0.0507(2) 0.0231(16) Uani 1 1 d . . . . .
C4 C 0.8875(5) 0.1511(6) 0.0173(2) 0.0272(17) Uani 1 1 d . . . . .
H4 H 0.849572 0.086590 0.002184 0.033 Uiso 1 1 calc R U . . .
C5 C 0.9817(5) 0.1765(6) 0.0064(2) 0.0266(17) Uani 1 1 d . . . . .
H5 H 1.008691 0.127767 -0.015899 0.032 Uiso 1 1 calc R U . . .
C6 C 1.0364(5) 0.2711(6) 0.0274(3) 0.0280(17) Uani 1 1 d . . . . .
H6 H 1.098264 0.291053 0.017827 0.034 Uiso 1 1 calc R U . . .
C7 C 1.0015(5) 0.3355(6) 0.0618(2) 0.0248(16) Uani 1 1 d . . . . .
H7 H 1.041484 0.397828 0.077432 0.030 Uiso 1 1 calc R U . . .
C8 C 0.7014(5) 0.7278(6) 0.2226(2) 0.0219(16) Uani 1 1 d . . . . .
C9 C 0.6429(5) 0.6818(7) 0.1809(3) 0.038(2) Uani 1 1 d . . . . .
H9 H 0.673751 0.640228 0.157836 0.046 Uiso 1 1 calc R U . . .
C10 C 0.5399(6) 0.6959(8) 0.1728(3) 0.049(2) Uani 1 1 d . . . . .
H10 H 0.500386 0.666029 0.143700 0.058 Uiso 1 1 calc R U . . .
C11 C 0.4948(5) 0.7530(7) 0.2066(3) 0.0344(19) Uani 1 1 d . . . . .
H11 H 0.423940 0.761947 0.201136 0.041 Uiso 1 1 calc R U . . .
C12 C 0.5519(5) 0.7975(6) 0.2484(3) 0.0273(17) Uani 1 1 d . . . . .
H12 H 0.520364 0.837027 0.271825 0.033 Uiso 1 1 calc R U . . .
C13 C 0.6550(5) 0.7849(5) 0.2567(2) 0.0201(15) Uani 1 1 d . . . . .
H13 H 0.694038 0.815332 0.285782 0.024 Uiso 1 1 calc R U . . .
C14 C 0.8834(4) 0.6930(6) 0.2940(2) 0.0200(15) Uani 1 1 d . . . . .
C15 C 0.9012(5) 0.5789(6) 0.3105(3) 0.0285(17) Uani 1 1 d . . . . .
H15 H 0.891137 0.515710 0.287788 0.034 Uiso 1 1 calc R U . . .
C16 C 0.9333(6) 0.5553(7) 0.3596(3) 0.0368(19) Uani 1 1 d . . . . .
H16 H 0.944806 0.476661 0.370671 0.044 Uiso 1 1 calc R U . . .
C17 C 0.9483(5) 0.6473(7) 0.3921(3) 0.0346(19) Uani 1 1 d . . . . .
H17 H 0.971584 0.631966 0.425846 0.042 Uiso 1 1 calc R U . . .
C18 C 0.9301(5) 0.7607(7) 0.3766(3) 0.0314(19) Uani 1 1 d . . . . .
H18 H 0.939657 0.823487 0.399502 0.038 Uiso 1 1 calc R U . . .
C19 C 0.8977(5) 0.7839(6) 0.3274(2) 0.0270(17) Uani 1 1 d . . . . .
H19 H 0.885245 0.862700 0.316662 0.032 Uiso 1 1 calc R U . . .
C20 C 0.8808(5) 0.8545(6) 0.2120(2) 0.0231(16) Uani 1 1 d . . . . .
C21 C 0.9786(5) 0.8906(6) 0.2310(3) 0.0301(18) Uani 1 1 d . . . . .
H21 H 1.019924 0.844706 0.255075 0.036 Uiso 1 1 calc R U . . .
C22 C 1.0146(6) 0.9947(7) 0.2141(3) 0.042(2) Uani 1 1 d . . . . .
H22 H 1.080900 1.020061 0.226741 0.050 Uiso 1 1 calc R U . . .
C23 C 0.9555(7) 1.0601(7) 0.1796(3) 0.046(2) Uani 1 1 d . . . . .
H23 H 0.981001 1.130751 0.168177 0.055 Uiso 1 1 calc R U . . .
C24 C 0.8598(7) 1.0258(7) 0.1610(3) 0.044(2) Uani 1 1 d . . . . .
H24 H 0.818925 1.072723 0.137131 0.053 Uiso 1 1 calc R U . . .
C25 C 0.8223(6) 0.9214(7) 0.1773(3) 0.039(2) Uani 1 1 d . . . . .
H25 H 0.755996 0.896804 0.164198 0.046 Uiso 1 1 calc R U . . .
Au1A Au 0.97639(2) 0.69547(2) 0.10230(2) 0.02043(8) Uani 1 1 d . . . . .
O1A O 0.8260(3) 0.6717(4) 0.07682(16) 0.0237(11) Uani 1 1 d . . . . .
O2A O 0.8052(3) 0.8595(4) 0.05440(19) 0.0339(13) Uani 1 1 d . . . . .
O3A O 0.6260(4) 0.9379(4) 0.02531(18) 0.0386(13) Uani 1 1 d . . . . .
H3A H 0.688800 0.940432 0.032879 0.058 Uiso 1 1 calc R U . . .
P1A P 1.13911(12) 0.70885(15) 0.12931(6) 0.0181(4) Uani 1 1 d . . . . .
C1A C 0.7719(5) 0.7605(6) 0.0602(2) 0.0226(16) Uani 1 1 d . . . . .
C2A C 0.6622(5) 0.7375(6) 0.0489(2) 0.0168(15) Uani 1 1 d . . . . .
C3A C 0.5941(5) 0.8281(6) 0.0319(2) 0.0268(17) Uani 1 1 d . . . . .
C4A C 0.4914(5) 0.8029(7) 0.0212(2) 0.0304(18) Uani 1 1 d . . . . .
H4A H 0.445071 0.863603 0.009828 0.037 Uiso 1 1 calc R U . . .
C5A C 0.4577(5) 0.6930(7) 0.0271(3) 0.0327(19) Uani 1 1 d . . . . .
H5A H 0.387897 0.677348 0.018937 0.039 Uiso 1 1 calc R U . . .
C6A C 0.5227(5) 0.6023(6) 0.0448(3) 0.0280(17) Uani 1 1 d . . . . .
H6A H 0.497843 0.525699 0.049227 0.034 Uiso 1 1 calc R U . . .
C7A C 0.6232(5) 0.6257(6) 0.0556(2) 0.0249(16) Uani 1 1 d . . . . .
H7A H 0.667916 0.564220 0.068076 0.030 Uiso 1 1 calc R U . . .
C8A C 1.1912(5) 0.8450(6) 0.1115(2) 0.0195(15) Uani 1 1 d . . . . .
C9A C 1.1308(5) 0.9454(6) 0.1089(2) 0.0260(17) Uani 1 1 d . . . . .
H9A H 1.065394 0.940312 0.116762 0.031 Uiso 1 1 calc R U . . .
C10A C 1.1656(6) 1.0508(6) 0.0950(3) 0.0340(19) Uani 1 1 d . . . . .
H10A H 1.125166 1.119382 0.093838 0.041 Uiso 1 1 calc R U . . .
C11A C 1.2597(7) 1.0566(7) 0.0827(3) 0.044(2) Uani 1 1 d . . . . .
H11A H 1.283649 1.129442 0.072580 0.053 Uiso 1 1 calc R U . . .
C12A C 1.3192(6) 0.9583(7) 0.0849(3) 0.039(2) Uani 1 1 d . . . . .
H12A H 1.383994 0.963825 0.076407 0.047 Uiso 1 1 calc R U . . .
C13A C 1.2860(5) 0.8522(6) 0.0994(2) 0.0245(16) Uani 1 1 d . . . . .
H13A H 1.327563 0.784477 0.101100 0.029 Uiso 1 1 calc R U . . .
C14A C 1.2098(5) 0.5928(5) 0.1066(2) 0.0183(15) Uani 1 1 d . . . . .
C15A C 1.1879(5) 0.5658(6) 0.0570(2) 0.0242(16) Uani 1 1 d . . . . .
H15A H 1.135840 0.607259 0.036526 0.029 Uiso 1 1 calc R U . . .
C16A C 1.2401(5) 0.4806(6) 0.0371(3) 0.0274(17) Uani 1 1 d . . . . .
H16A H 1.225465 0.464739 0.002946 0.033 Uiso 1 1 calc R U . . .
C17A C 1.3133(5) 0.4186(6) 0.0667(3) 0.0268(17) Uani 1 1 d . . . . .
H17A H 1.348132 0.357595 0.053291 0.032 Uiso 1 1 calc R U . . .
C18A C 1.3367(5) 0.4441(6) 0.1157(3) 0.0300(18) Uani 1 1 d . . . . .
H18A H 1.389037 0.402286 0.135829 0.036 Uiso 1 1 calc R U . . .
C19A C 1.2846(5) 0.5304(6) 0.1361(2) 0.0239(16) Uani 1 1 d . . . . .
H19A H 1.300292 0.546623 0.170122 0.029 Uiso 1 1 calc R U . . .
C20A C 1.1712(5) 0.7032(6) 0.1956(2) 0.0199(15) Uani 1 1 d . . . . .
C21A C 1.2260(5) 0.7914(6) 0.2218(2) 0.0253(16) Uani 1 1 d . . . . .
H21A H 1.250016 0.855475 0.205159 0.030 Uiso 1 1 calc R U . . .
C22A C 1.2462(6) 0.7864(7) 0.2728(3) 0.037(2) Uani 1 1 d . . . . .
H22A H 1.285317 0.846258 0.290828 0.045 Uiso 1 1 calc R U . . .
C23A C 1.2100(6) 0.6957(8) 0.2968(3) 0.043(2) Uani 1 1 d . . . . .
H23A H 1.222853 0.693381 0.331552 0.052 Uiso 1 1 calc R U . . .
C24A C 1.1548(6) 0.6074(7) 0.2707(3) 0.036(2) Uani 1 1 d . . . . .
H24A H 1.129970 0.544142 0.287490 0.043 Uiso 1 1 calc R U . . .
C25A C 1.1358(5) 0.6112(6) 0.2204(3) 0.0269(17) Uani 1 1 d . . . . .
H25A H 1.097957 0.550075 0.202498 0.032 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 O1 2.075(4) . ?
Au1 P1 2.2095(17) . ?
O1 C1 1.270(8) . ?
O2 C1 1.233(8) . ?
O3 C3 1.337(8) . ?
O3 H3 0.8400 . ?
P1 C14 1.806(7) . ?
P1 C20 1.808(7) . ?
P1 C8 1.814(7) . ?
C1 C2 1.488(9) . ?
C2 C7 1.394(8) . ?
C2 C3 1.404(9) . ?
C3 C4 1.394(9) . ?
C4 C5 1.392(9) . ?
C4 H4 0.9500 . ?
C5 C6 1.377(9) . ?
C5 H5 0.9500 . ?
C6 C7 1.352(9) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C9 1.385(9) . ?
C8 C13 1.385(8) . ?
C9 C10 1.384(10) . ?
C9 H9 0.9500 . ?
C10 C11 1.370(10) . ?
C10 H10 0.9500 . ?
C11 C12 1.374(9) . ?
C11 H11 0.9500 . ?
C12 C13 1.383(9) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C19 1.381(9) . ?
C14 C15 1.384(9) . ?
C15 C16 1.382(9) . ?
C15 H15 0.9500 . ?
C16 C17 1.373(10) . ?
C16 H16 0.9500 . ?
C17 C18 1.370(10) . ?
C17 H17 0.9500 . ?
C18 C19 1.383(9) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C25 1.367(9) . ?
C20 C21 1.399(9) . ?
C21 C22 1.392(10) . ?
C21 H21 0.9500 . ?
C22 C23 1.359(11) . ?
C22 H22 0.9500 . ?
C23 C24 1.365(11) . ?
C23 H23 0.9500 . ?
C24 C25 1.398(10) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
Au1A O1A 2.055(4) . ?
Au1A P1A 2.2059(17) . ?
O1A C1A 1.285(8) . ?
O2A C1A 1.234(8) . ?
O3A C3A 1.345(8) . ?
O3A H3A 0.8400 . ?
P1A C8A 1.806(7) . ?
P1A C14A 1.807(6) . ?
P1A C20A 1.816(7) . ?
C1A C2A 1.488(9) . ?
C2A C7A 1.402(9) . ?
C2A C3A 1.408(9) . ?
C3A C4A 1.400(9) . ?
C4A C5A 1.350(10) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.388(10) . ?
C5A H5A 0.9500 . ?
C6A C7A 1.368(9) . ?
C6A H6A 0.9500 . ?
C7A H7A 0.9500 . ?
C8A C13A 1.385(9) . ?
C8A C9A 1.400(9) . ?
C9A C10A 1.368(9) . ?
C9A H9A 0.9500 . ?
C10A C11A 1.377(11) . ?
C10A H10A 0.9500 . ?
C11A C12A 1.374(11) . ?
C11A H11A 0.9500 . ?
C12A C13A 1.372(9) . ?
C12A H12A 0.9500 . ?
C13A H13A 0.9500 . ?
C14A C19A 1.381(8) . ?
C14A C15A 1.393(9) . ?
C15A C16A 1.372(9) . ?
C15A H15A 0.9500 . ?
C16A C17A 1.369(9) . ?
C16A H16A 0.9500 . ?
C17A C18A 1.373(9) . ?
C17A H17A 0.9500 . ?
C18A C19A 1.385(9) . ?
C18A H18A 0.9500 . ?
C19A H19A 0.9500 . ?
C20A C21A 1.377(9) . ?
C20A C25A 1.384(9) . ?
C21A C22A 1.395(10) . ?
C21A H21A 0.9500 . ?
C22A C23A 1.365(10) . ?
C22A H22A 0.9500 . ?
C23A C24A 1.379(11) . ?
C23A H23A 0.9500 . ?
C24A C25A 1.377(10) . ?
C24A H24A 0.9500 . ?
C25A H25A 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
O1 Au1 P1 174.87(14) . . ?
C1 O1 Au1 116.5(4) . . ?
C3 O3 H3 109.5 . . ?
C14 P1 C20 107.7(3) . . ?
C14 P1 C8 106.8(3) . . ?
C20 P1 C8 105.5(3) . . ?
C14 P1 Au1 113.7(2) . . ?
C20 P1 Au1 110.6(2) . . ?
C8 P1 Au1 112.0(2) . . ?
O2 C1 O1 124.8(7) . . ?
O2 C1 C2 119.8(7) . . ?
O1 C1 C2 115.3(6) . . ?
C7 C2 C3 117.9(6) . . ?
C7 C2 C1 122.1(6) . . ?
C3 C2 C1 120.0(6) . . ?
O3 C3 C4 116.6(6) . . ?
O3 C3 C2 123.0(6) . . ?
C4 C3 C2 120.4(6) . . ?
C5 C4 C3 118.7(6) . . ?
C5 C4 H4 120.7 . . ?
C3 C4 H4 120.7 . . ?
C6 C5 C4 121.0(7) . . ?
C6 C5 H5 119.5 . . ?
C4 C5 H5 119.5 . . ?
C7 C6 C5 119.6(7) . . ?
C7 C6 H6 120.2 . . ?
C5 C6 H6 120.2 . . ?
C6 C7 C2 122.1(6) . . ?
C6 C7 H7 119.0 . . ?
C2 C7 H7 119.0 . . ?
C9 C8 C13 119.0(6) . . ?
C9 C8 P1 118.3(5) . . ?
C13 C8 P1 122.7(5) . . ?
C10 C9 C8 120.4(7) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C11 C10 C9 120.0(7) . . ?
C11 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
C10 C11 C12 120.0(7) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
C11 C12 C13 120.3(7) . . ?
C11 C12 H12 119.8 . . ?
C13 C12 H12 119.8 . . ?
C12 C13 C8 120.1(6) . . ?
C12 C13 H13 120.0 . . ?
C8 C13 H13 120.0 . . ?
C19 C14 C15 118.9(6) . . ?
C19 C14 P1 123.6(5) . . ?
C15 C14 P1 117.4(5) . . ?
C16 C15 C14 121.0(7) . . ?
C16 C15 H15 119.5 . . ?
C14 C15 H15 119.5 . . ?
C17 C16 C15 119.1(7) . . ?
C17 C16 H16 120.5 . . ?
C15 C16 H16 120.5 . . ?
C18 C17 C16 120.8(7) . . ?
C18 C17 H17 119.6 . . ?
C16 C17 H17 119.6 . . ?
C17 C18 C19 120.0(7) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
C14 C19 C18 120.2(7) . . ?
C14 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
C25 C20 C21 119.7(7) . . ?
C25 C20 P1 120.3(6) . . ?
C21 C20 P1 119.7(5) . . ?
C22 C21 C20 119.2(7) . . ?
C22 C21 H21 120.4 . . ?
C20 C21 H21 120.4 . . ?
C23 C22 C21 120.3(8) . . ?
C23 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C22 C23 C24 120.9(8) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 H23 119.6 . . ?
C23 C24 C25 119.7(8) . . ?
C23 C24 H24 120.1 . . ?
C25 C24 H24 120.1 . . ?
C20 C25 C24 120.1(8) . . ?
C20 C25 H25 119.9 . . ?
C24 C25 H25 119.9 . . ?
O1A Au1A P1A 176.37(13) . . ?
C1A O1A Au1A 119.2(4) . . ?
C3A O3A H3A 109.5 . . ?
C8A P1A C14A 105.9(3) . . ?
C8A P1A C20A 105.8(3) . . ?
C14A P1A C20A 106.2(3) . . ?
C8A P1A Au1A 112.4(2) . . ?
C14A P1A Au1A 113.0(2) . . ?
C20A P1A Au1A 113.0(2) . . ?
O2A C1A O1A 124.5(6) . . ?
O2A C1A C2A 120.5(6) . . ?
O1A C1A C2A 115.0(6) . . ?
C7A C2A C3A 117.9(6) . . ?
C7A C2A C1A 121.1(6) . . ?
C3A C2A C1A 120.9(6) . . ?
O3A C3A C4A 119.5(6) . . ?
O3A C3A C2A 121.2(6) . . ?
C4A C3A C2A 119.3(7) . . ?
C5A C4A C3A 120.6(7) . . ?
C5A C4A H4A 119.7 . . ?
C3A C4A H4A 119.7 . . ?
C4A C5A C6A 121.6(7) . . ?
C4A C5A H5A 119.2 . . ?
C6A C5A H5A 119.2 . . ?
C7A C6A C5A 118.6(7) . . ?
C7A C6A H6A 120.7 . . ?
C5A C6A H6A 120.7 . . ?
C6A C7A C2A 122.0(7) . . ?
C6A C7A H7A 119.0 . . ?
C2A C7A H7A 119.0 . . ?
C13A C8A C9A 119.9(6) . . ?
C13A C8A P1A 122.7(5) . . ?
C9A C8A P1A 117.4(5) . . ?
C10A C9A C8A 120.1(7) . . ?
C10A C9A H9A 119.9 . . ?
C8A C9A H9A 119.9 . . ?
C9A C10A C11A 119.4(7) . . ?
C9A C10A H10A 120.3 . . ?
C11A C10A H10A 120.3 . . ?
C12A C11A C10A 120.7(7) . . ?
C12A C11A H11A 119.6 . . ?
C10A C11A H11A 119.6 . . ?
C13A C12A C11A 120.6(8) . . ?
C13A C12A H12A 119.7 . . ?
C11A C12A H12A 119.7 . . ?
C12A C13A C8A 119.2(7) . . ?
C12A C13A H13A 120.4 . . ?
C8A C13A H13A 120.4 . . ?
C19A C14A C15A 118.6(6) . . ?
C19A C14A P1A 123.2(5) . . ?
C15A C14A P1A 118.1(5) . . ?
C16A C15A C14A 121.3(7) . . ?
C16A C15A H15A 119.3 . . ?
C14A C15A H15A 119.3 . . ?
C17A C16A C15A 119.5(7) . . ?
C17A C16A H16A 120.3 . . ?
C15A C16A H16A 120.3 . . ?
C16A C17A C18A 120.3(6) . . ?
C16A C17A H17A 119.9 . . ?
C18A C17A H17A 119.9 . . ?
C17A C18A C19A 120.6(7) . . ?
C17A C18A H18A 119.7 . . ?
C19A C18A H18A 119.7 . . ?
C14A C19A C18A 119.7(6) . . ?
C14A C19A H19A 120.1 . . ?
C18A C19A H19A 120.1 . . ?
C21A C20A C25A 119.3(6) . . ?
C21A C20A P1A 121.4(5) . . ?
C25A C20A P1A 119.2(5) . . ?
C20A C21A C22A 119.9(7) . . ?
C20A C21A H21A 120.0 . . ?
C22A C21A H21A 120.0 . . ?
C23A C22A C21A 120.2(8) . . ?
C23A C22A H22A 119.9 . . ?
C21A C22A H22A 119.9 . . ?
C22A C23A C24A 120.1(7) . . ?
C22A C23A H23A 119.9 . . ?
C24A C23A H23A 119.9 . . ?
C25A C24A C23A 119.9(7) . . ?
C25A C24A H24A 120.0 . . ?
C23A C24A H24A 120.0 . . ?
C24A C25A C20A 120.5(7) . . ?
C24A C25A H25A 119.7 . . ?
C20A C25A H25A 119.7 . . ?

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
Au1 O1 C1 O2 -15.2(9) . . . . ?
Au1 O1 C1 C2 167.9(4) . . . . ?
O2 C1 C2 C7 166.6(6) . . . . ?
O1 C1 C2 C7 -16.3(9) . . . . ?
O2 C1 C2 C3 -11.5(10) . . . . ?
O1 C1 C2 C3 165.6(6) . . . . ?
C7 C2 C3 O3 -175.6(6) . . . . ?
C1 C2 C3 O3 2.5(10) . . . . ?
C7 C2 C3 C4 5.1(10) . . . . ?
C1 C2 C3 C4 -176.7(6) . . . . ?
O3 C3 C4 C5 176.8(6) . . . . ?
C2 C3 C4 C5 -3.8(10) . . . . ?
C3 C4 C5 C6 -1.2(10) . . . . ?
C4 C5 C6 C7 4.8(10) . . . . ?
C5 C6 C7 C2 -3.5(11) . . . . ?
C3 C2 C7 C6 -1.4(10) . . . . ?
C1 C2 C7 C6 -179.5(6) . . . . ?
C14 P1 C8 C9 -145.2(6) . . . . ?
C20 P1 C8 C9 100.4(6) . . . . ?
Au1 P1 C8 C9 -20.0(6) . . . . ?
C14 P1 C8 C13 36.2(6) . . . . ?
C20 P1 C8 C13 -78.2(6) . . . . ?
Au1 P1 C8 C13 161.4(5) . . . . ?
C13 C8 C9 C10 2.1(11) . . . . ?
P1 C8 C9 C10 -176.6(6) . . . . ?
C8 C9 C10 C11 -1.7(13) . . . . ?
C9 C10 C11 C12 0.7(13) . . . . ?
C10 C11 C12 C13 0.0(11) . . . . ?
C11 C12 C13 C8 0.4(10) . . . . ?
C9 C8 C13 C12 -1.4(10) . . . . ?
P1 C8 C13 C12 177.2(5) . . . . ?
C20 P1 C14 C19 32.8(6) . . . . ?
C8 P1 C14 C19 -80.1(6) . . . . ?
Au1 P1 C14 C19 155.7(5) . . . . ?
C20 P1 C14 C15 -150.3(5) . . . . ?
C8 P1 C14 C15 96.7(5) . . . . ?
Au1 P1 C14 C15 -27.4(6) . . . . ?
C19 C14 C15 C16 -0.4(10) . . . . ?
P1 C14 C15 C16 -177.4(5) . . . . ?
C14 C15 C16 C17 -0.5(11) . . . . ?
C15 C16 C17 C18 1.2(11) . . . . ?
C16 C17 C18 C19 -1.1(11) . . . . ?
C15 C14 C19 C18 0.6(10) . . . . ?
P1 C14 C19 C18 177.4(5) . . . . ?
C17 C18 C19 C14 0.2(10) . . . . ?
C14 P1 C20 C25 -145.4(6) . . . . ?
C8 P1 C20 C25 -31.6(7) . . . . ?
Au1 P1 C20 C25 89.8(6) . . . . ?
C14 P1 C20 C21 40.3(6) . . . . ?
C8 P1 C20 C21 154.1(5) . . . . ?
Au1 P1 C20 C21 -84.6(6) . . . . ?
C25 C20 C21 C22 0.2(10) . . . . ?
P1 C20 C21 C22 174.5(5) . . . . ?
C20 C21 C22 C23 -0.1(11) . . . . ?
C21 C22 C23 C24 0.4(12) . . . . ?
C22 C23 C24 C25 -0.6(12) . . . . ?
C21 C20 C25 C24 -0.5(11) . . . . ?
P1 C20 C25 C24 -174.8(6) . . . . ?
C23 C24 C25 C20 0.7(12) . . . . ?
Au1A O1A C1A O2A 6.5(9) . . . . ?
Au1A O1A C1A C2A -172.1(4) . . . . ?
O2A C1A C2A C7A -179.7(6) . . . . ?
O1A C1A C2A C7A -0.9(9) . . . . ?
O2A C1A C2A C3A -0.6(9) . . . . ?
O1A C1A C2A C3A 178.2(6) . . . . ?
C7A C2A C3A O3A 179.0(6) . . . . ?
C1A C2A C3A O3A -0.2(9) . . . . ?
C7A C2A C3A C4A -1.4(9) . . . . ?
C1A C2A C3A C4A 179.5(6) . . . . ?
O3A C3A C4A C5A 179.4(6) . . . . ?
C2A C3A C4A C5A -0.3(10) . . . . ?
C3A C4A C5A C6A 1.5(11) . . . . ?
C4A C5A C6A C7A -1.0(11) . . . . ?
C5A C6A C7A C2A -0.7(10) . . . . ?
C3A C2A C7A C6A 1.9(9) . . . . ?
C1A C2A C7A C6A -179.0(6) . . . . ?
C14A P1A C8A C13A -20.2(6) . . . . ?
C20A P1A C8A C13A 92.3(6) . . . . ?
Au1A P1A C8A C13A -144.0(5) . . . . ?
C14A P1A C8A C9A 158.1(5) . . . . ?
C20A P1A C8A C9A -89.4(5) . . . . ?
Au1A P1A C8A C9A 34.3(5) . . . . ?
C13A C8A C9A C10A -0.8(10) . . . . ?
P1A C8A C9A C10A -179.2(5) . . . . ?
C8A C9A C10A C11A 1.3(10) . . . . ?
C9A C10A C11A C12A -0.9(11) . . . . ?
C10A C11A C12A C13A 0.1(11) . . . . ?
C11A C12A C13A C8A 0.4(11) . . . . ?
C9A C8A C13A C12A 0.0(10) . . . . ?
P1A C8A C13A C12A 178.2(5) . . . . ?
C8A P1A C14A C19A 102.2(6) . . . . ?
C20A P1A C14A C19A -9.9(6) . . . . ?
Au1A P1A C14A C19A -134.3(5) . . . . ?
C8A P1A C14A C15A -77.4(5) . . . . ?
C20A P1A C14A C15A 170.5(5) . . . . ?
Au1A P1A C14A C15A 46.1(5) . . . . ?
C19A C14A C15A C16A -1.1(9) . . . . ?
P1A C14A C15A C16A 178.5(5) . . . . ?
C14A C15A C16A C17A 1.7(10) . . . . ?
C15A C16A C17A C18A -2.2(10) . . . . ?
C16A C17A C18A C19A 1.9(11) . . . . ?
C15A C14A C19A C18A 0.8(10) . . . . ?
P1A C14A C19A C18A -178.8(5) . . . . ?
C17A C18A C19A C14A -1.2(10) . . . . ?
C8A P1A C20A C21A -0.7(6) . . . . ?
C14A P1A C20A C21A 111.5(5) . . . . ?
Au1A P1A C20A C21A -124.1(5) . . . . ?
C8A P1A C20A C25A 176.1(5) . . . . ?
C14A P1A C20A C25A -71.6(6) . . . . ?
Au1A P1A C20A C25A 52.7(5) . . . . ?
C25A C20A C21A C22A 0.8(10) . . . . ?
P1A C20A C21A C22A 177.6(5) . . . . ?
C20A C21A C22A C23A -1.4(11) . . . . ?
C21A C22A C23A C24A 1.2(11) . . . . ?
C22A C23A C24A C25A -0.4(11) . . . . ?
C23A C24A C25A C20A -0.3(10) . . . . ?
C21A C20A C25A C24A 0.0(10) . . . . ?
P1A C20A C25A C24A -176.9(5) . . . . ?

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
_geom_hbond_publ_flag
O3 H3 O2 0.84 1.85 2.588(7) 145.2 . yes
O3A H3A O2A 0.84 1.83 2.580(7) 147.1 . yes

_refine_diff_density_max         2.171
_refine_diff_density_min         -1.228
_refine_diff_density_rms         0.170




