# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_c384
_database_code_depnum_ccdc_archive 'CCDC 1818688'
_audit_update_record             
;
2019-02-06 deposited with the CCDC.
2019-02-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C43 H36 Au2 Cl2 N2 O5 P2'
_chemical_formula_weight         1187.51

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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      tetragonal
_space_group_IT_number           96
_space_group_name_H-M_alt        'P 43 21 2'
_space_group_name_Hall           'P 4nw 2abw'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-y+1/2, x+1/2, z+3/4'
'y+1/2, -x+1/2, z+1/4'
'-x+1/2, y+1/2, -z+3/4'
'x+1/2, -y+1/2, -z+1/4'
'y, x, -z'
'-y, -x, -z+1/2'

_cell_length_a                   14.801(2)
_cell_length_b                   14.801(2)
_cell_length_c                   18.742(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4105.8(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    12266
_cell_measurement_theta_min      4.4590
_cell_measurement_theta_max      29.6230

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.921
_exptl_crystal_F_000             2280
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.240
_exptl_absorpt_coefficient_mu    7.394
_shelx_estimated_absorpt_T_min   0.147
_shelx_estimated_absorpt_T_max   0.270
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.44940
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'w rotations'
_diffrn_detector_area_resol_mean 16.0655
_diffrn_reflns_number            20892
_diffrn_reflns_av_unetI/netI     0.0209
_diffrn_reflns_av_R_equivalents  0.0337
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         4.269
_diffrn_reflns_theta_max         25.498
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measured_fraction_theta_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             3792
_reflns_number_gt                3717
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.719
_reflns_Friedel_fraction_max     0.999
_reflns_Friedel_fraction_full    0.999

_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       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_structure_solution    
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0186P)²+10.2860P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 1524 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.004(4)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         3792
_refine_ls_number_parameters     296
_refine_ls_number_restraints     174
_refine_ls_R_factor_all          0.0207
_refine_ls_R_factor_gt           0.0198
_refine_ls_wR_factor_ref         0.0463
_refine_ls_wR_factor_gt          0.0459
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_restrained_S_all      1.073
_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 0.31730(2) 0.45890(2) 0.01461(2) 0.01483(7) Uani 1 1 d . . . . .
P1 P 0.21657(11) 0.36122(11) 0.05940(8) 0.0160(3) Uani 1 1 d D . . . .
C1 C 0.2533(4) 0.3181(4) 0.1451(3) 0.0160(12) Uani 1 1 d . . . . .
C2 C 0.3440(4) 0.3240(5) 0.1637(3) 0.0213(14) Uani 1 1 d . . . . .
H2 H 0.385463 0.350647 0.131197 0.026 Uiso 1 1 calc R U . . .
C3 C 0.3751(5) 0.2918(5) 0.2287(4) 0.0269(16) Uani 1 1 d . . . . .
H3 H 0.437310 0.296144 0.240650 0.032 Uiso 1 1 calc R U . . .
C4 C 0.3146(6) 0.2533(5) 0.2760(3) 0.0278(15) Uani 1 1 d . . . . .
H4 H 0.335123 0.231287 0.320813 0.033 Uiso 1 1 calc R U . . .
C5 C 0.2245(5) 0.2467(5) 0.2582(4) 0.0301(17) Uani 1 1 d . . . . .
H5 H 0.183325 0.219446 0.290567 0.036 Uiso 1 1 calc R U . . .
C6 C 0.1934(5) 0.2794(5) 0.1939(3) 0.0238(15) Uani 1 1 d . . . . .
H6 H 0.130978 0.275478 0.182626 0.029 Uiso 1 1 calc R U . . .
C11 C 0.1084(6) 0.4094(9) 0.0843(7) 0.0243(16) Uani 0.4 1 d DG . P A 1
C12 C 0.1059(7) 0.4708(10) 0.1404(8) 0.047(5) Uani 0.4 1 d DG U P A 1
H12 H 0.159992 0.486250 0.164838 0.056 Uiso 0.4 1 calc R U P A 1
C13 C 0.0244(9) 0.5097(10) 0.1607(8) 0.051(5) Uani 0.4 1 d DG U P A 1
H13 H 0.022716 0.551656 0.199011 0.061 Uiso 0.4 1 calc R U P A 1
C14 C -0.0547(7) 0.4871(10) 0.1249(9) 0.059(8) Uani 0.4 1 d DG . P A 1
H14 H -0.110459 0.513681 0.138779 0.071 Uiso 0.4 1 calc R U P A 1
C15 C -0.0523(6) 0.4257(10) 0.0688(8) 0.0287(16) Uani 0.4 1 d DG U P A 1
H15 H -0.106361 0.410301 0.044373 0.034 Uiso 0.4 1 calc R U P A 1
C16 C 0.0292(8) 0.3869(8) 0.0485(6) 0.0287(16) Uani 0.4 1 d DG U P A 1
H16 H 0.030914 0.344895 0.010199 0.034 Uiso 0.4 1 calc R U P A 1
C17 C 0.1901(4) 0.2632(4) 0.0040(3) 0.0167(13) Uani 1 1 d . . . . .
H17A H 0.135386 0.234103 0.023872 0.020 Uiso 1 1 calc R U . . .
H17B H 0.174492 0.285265 -0.044270 0.020 Uiso 1 1 calc R U . . .
N1 N 0.4022(3) 0.5584(3) -0.0213(3) 0.0140(10) Uani 1 1 d . . . . .
O1 O 0.3660(3) 0.5598(3) -0.1405(2) 0.0187(10) Uani 1 1 d . . . . .
O2 O 0.4842(3) 0.7195(3) -0.1406(2) 0.0268(11) Uani 1 1 d . . . . .
C18 C 0.4054(4) 0.5888(4) -0.0882(3) 0.0150(13) Uani 1 1 d . . . . .
C19 C 0.4704(4) 0.6718(4) -0.0890(3) 0.0194(13) Uani 1 1 d . . . . .
C20 C 0.5038(4) 0.6791(4) -0.0159(4) 0.0237(14) Uani 1 1 d . . . . .
C21 C 0.5655(6) 0.7354(5) 0.0159(4) 0.038(2) Uani 1 1 d . . . . .
H21 H 0.594822 0.781502 -0.010676 0.046 Uiso 1 1 calc R U . . .
C22 C 0.5844(7) 0.7231(6) 0.0886(4) 0.045(2) Uani 1 1 d . . . . .
H22 H 0.626670 0.761034 0.112249 0.055 Uiso 1 1 calc R U . . .
C23 C 0.5403(6) 0.6544(5) 0.1258(4) 0.0322(18) Uani 1 1 d . . . . .
H23 H 0.553054 0.646932 0.175152 0.039 Uiso 1 1 calc R U . . .
C24 C 0.4791(5) 0.5968(5) 0.0941(3) 0.0226(15) Uani 1 1 d . . . . .
H24 H 0.450576 0.550073 0.120615 0.027 Uiso 1 1 calc R U . . .
C25 C 0.4607(5) 0.6092(4) 0.0226(3) 0.0188(12) Uani 1 1 d . . . . .
C11A C 0.1074(4) 0.4167(5) 0.0715(5) 0.0243(16) Uani 0.6 1 d DG . P A 2
C12A C 0.1048(4) 0.5105(5) 0.0733(6) 0.043(3) Uani 0.6 1 d DG U P A 2
H12A H 0.158090 0.544437 0.064344 0.052 Uiso 0.6 1 calc R U P A 2
C13A C 0.0242(6) 0.5548(4) 0.0884(7) 0.056(4) Uani 0.6 1 d DG U P A 2
H13A H 0.022369 0.618911 0.089669 0.067 Uiso 0.6 1 calc R U P A 2
C14A C -0.0538(4) 0.5052(6) 0.1015(6) 0.046(4) Uani 0.6 1 d DG . P A 2
H14A H -0.108910 0.535402 0.111821 0.055 Uiso 0.6 1 calc R U P A 2
C15A C -0.0512(4) 0.4113(6) 0.0997(5) 0.0284(16) Uani 0.6 1 d DG U P A 2
H15A H -0.104470 0.377419 0.108648 0.034 Uiso 0.6 1 calc R U P A 2
C16A C 0.0294(5) 0.3671(4) 0.0846(5) 0.0282(16) Uani 0.6 1 d DG U P A 2
H16A H 0.031250 0.302943 0.083323 0.034 Uiso 0.6 1 calc R U P A 2
O3 O 0.5107(3) 0.4893(3) 0.250000 0.0310(18) Uani 1 2 d S T P . .
H3A H 0.548427 0.473850 0.283630 0.046 Uiso 0.5 1 d R U P . .
H3B H 0.523377 0.452020 0.215070 0.046 Uiso 0.5 1 d R U P . .
Cl40 Cl 0.2657(2) 0.5952(3) 0.2047(2) 0.093(2) Uani 0.5 1 d D . P B -2
C402 C 0.3543(3) 0.6457(3) 0.250000 0.071(5) Uani 1 2 d DS T P . .
H40B H 0.362244 0.597450 0.287340 0.085 Uiso 0.5 1 d R U P B -2
H40A H 0.394874 0.630090 0.290490 0.085 Uiso 0.3 1 d R U P B -2
H402 H 0.346764 0.581970 0.268680 0.085 Uiso 0.2 1 d R U P B 3
Cl1 Cl 0.24522(19) 0.6209(6) 0.2771(4) 0.112(4) Uani 0.32 1 d D . P B -2
Cl2 Cl 0.2718(3) 0.6718(8) 0.1878(2) 0.140(12) Uani 0.18 1 d D . P B 3


_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 N1 2.049(5) . ?
Au1 P1 2.2401(16) . ?
Au1 Au1 3.0141(6) 7 ?
P1 C1 1.811(6) . ?
P1 C11 1.814(8) . ?
P1 C11A 1.826(5) . ?
P1 C17 1.827(6) . ?
C1 C2 1.389(9) . ?
C1 C6 1.396(9) . ?
C2 C3 1.388(10) . ?
C2 H2 0.9500 . ?
C3 C4 1.383(10) . ?
C3 H3 0.9500 . ?
C4 C5 1.379(11) . ?
C4 H4 0.9500 . ?
C5 C6 1.377(10) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C11 C12 1.3900 . ?
C11 C16 1.3900 . ?
C12 C13 1.3900 . ?
C12 H12 0.9500 . ?
C13 C14 1.3900 . ?
C13 H13 0.9500 . ?
C14 C15 1.3900 . ?
C14 H14 0.9500 . ?
C15 C16 1.3900 . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C17 1.536(13) 7 ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
N1 C18 1.334(8) . ?
N1 C25 1.412(8) . ?
O1 C18 1.217(8) . ?
O2 C19 1.216(7) . ?
C18 C19 1.560(9) . ?
C19 C20 1.459(9) . ?
C20 C21 1.373(10) . ?
C20 C25 1.413(9) . ?
C21 C22 1.403(11) . ?
C21 H21 0.9500 . ?
C22 C23 1.395(11) . ?
C22 H22 0.9500 . ?
C23 C24 1.379(10) . ?
C23 H23 0.9500 . ?
C24 C25 1.381(9) . ?
C24 H24 0.9500 . ?
C11A C12A 1.3900 . ?
C11A C16A 1.3900 . ?
C12A C13A 1.3900 . ?
C12A H12A 0.9500 . ?
C13A C14A 1.3900 . ?
C13A H13A 0.9500 . ?
C14A C15A 1.3900 . ?
C14A H14A 0.9500 . ?
C15A C16A 1.3900 . ?
C15A H15A 0.9500 . ?
C16A H16A 0.9500 . ?
O3 H3A 0.8730 . ?
O3 H3B 0.8769 . ?
Cl40 C402 1.731(4) . ?
C402 Cl2 1.731(4) . ?
C402 Cl2 1.731(4) 8_665 ?
C402 Cl1 1.731(4) . ?
C402 Cl1 1.731(4) 8_665 ?
C402 H40B 1.0072 . ?
C402 H40A 0.9954 . ?
C402 H402 1.0127 . ?
C402 H402 1.0127 8_665 ?
Cl1 H40B 1.7769 . ?

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
N1 Au1 P1 174.19(15) . . ?
N1 Au1 Au1 90.79(14) . 7 ?
P1 Au1 Au1 94.71(5) . 7 ?
C1 P1 C11 100.1(5) . . ?
C1 P1 C11A 108.3(4) . . ?
C1 P1 C17 106.8(3) . . ?
C11 P1 C17 105.6(5) . . ?
C11A P1 C17 103.8(4) . . ?
C1 P1 Au1 111.1(2) . . ?
C11 P1 Au1 115.5(5) . . ?
C11A P1 Au1 110.2(3) . . ?
C17 P1 Au1 116.3(2) . . ?
C2 C1 C6 118.4(6) . . ?
C2 C1 P1 119.3(5) . . ?
C6 C1 P1 122.3(5) . . ?
C3 C2 C1 121.3(6) . . ?
C3 C2 H2 119.4 . . ?
C1 C2 H2 119.4 . . ?
C4 C3 C2 119.3(7) . . ?
C4 C3 H3 120.3 . . ?
C2 C3 H3 120.3 . . ?
C5 C4 C3 120.0(6) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C6 C5 C4 120.7(6) . . ?
C6 C5 H5 119.7 . . ?
C4 C5 H5 119.7 . . ?
C5 C6 C1 120.4(6) . . ?
C5 C6 H6 119.8 . . ?
C1 C6 H6 119.8 . . ?
C12 C11 C16 120.0 . . ?
C12 C11 P1 118.3(7) . . ?
C16 C11 P1 121.7(7) . . ?
C13 C12 C11 120.0 . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C12 C13 C14 120.0 . . ?
C12 C13 H13 120.0 . . ?
C14 C13 H13 120.0 . . ?
C15 C14 C13 120.0 . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C14 C15 C16 120.0 . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C15 C16 C11 120.0 . . ?
C15 C16 H16 120.0 . . ?
C11 C16 H16 120.0 . . ?
C17 C17 P1 117.7(4) 7 . ?
C17 C17 H17A 107.9 7 . ?
P1 C17 H17A 107.9 . . ?
C17 C17 H17B 107.9 7 . ?
P1 C17 H17B 107.9 . . ?
H17A C17 H17B 107.2 . . ?
C18 N1 C25 110.2(5) . . ?
C18 N1 Au1 125.0(4) . . ?
C25 N1 Au1 124.7(4) . . ?
O1 C18 N1 128.4(6) . . ?
O1 C18 C19 124.4(6) . . ?
N1 C18 C19 107.2(5) . . ?
O2 C19 C20 130.3(6) . . ?
O2 C19 C18 124.7(6) . . ?
C20 C19 C18 105.0(5) . . ?
C21 C20 C25 121.5(6) . . ?
C21 C20 C19 132.7(6) . . ?
C25 C20 C19 105.8(5) . . ?
C20 C21 C22 118.4(7) . . ?
C20 C21 H21 120.8 . . ?
C22 C21 H21 120.8 . . ?
C23 C22 C21 119.1(7) . . ?
C23 C22 H22 120.4 . . ?
C21 C22 H22 120.4 . . ?
C24 C23 C22 122.9(7) . . ?
C24 C23 H23 118.5 . . ?
C22 C23 H23 118.5 . . ?
C23 C24 C25 117.7(6) . . ?
C23 C24 H24 121.1 . . ?
C25 C24 H24 121.1 . . ?
C24 C25 N1 128.0(6) . . ?
C24 C25 C20 120.3(6) . . ?
N1 C25 C20 111.7(5) . . ?
C12A C11A C16A 120.0 . . ?
C12A C11A P1 118.5(5) . . ?
C16A C11A P1 121.3(5) . . ?
C11A C12A C13A 120.0 . . ?
C11A C12A H12A 120.0 . . ?
C13A C12A H12A 120.0 . . ?
C14A C13A C12A 120.0 . . ?
C14A C13A H13A 120.0 . . ?
C12A C13A H13A 120.0 . . ?
C13A C14A C15A 120.0 . . ?
C13A C14A H14A 120.0 . . ?
C15A C14A H14A 120.0 . . ?
C16A C15A C14A 120.0 . . ?
C16A C15A H15A 120.0 . . ?
C14A C15A H15A 120.0 . . ?
C15A C16A C11A 120.0 . . ?
C15A C16A H16A 120.0 . . ?
C11A C16A H16A 120.0 . . ?
H3A O3 H3B 103.7 . . ?
Cl2 C402 Cl2 98.0(7) . 8_665 ?
Cl2 C402 Cl1 75.1(5) . 8_665 ?
Cl2 C402 Cl1 65.7(4) 8_665 8_665 ?
Cl1 C402 Cl1 118.8(7) . 8_665 ?
Cl2 C402 Cl40 117.8(5) . 8_665 ?
Cl2 C402 Cl40 39.9(4) 8_665 8_665 ?
Cl1 C402 Cl40 114.8(4) . 8_665 ?
Cl1 C402 Cl40 49.2(3) 8_665 8_665 ?
Cl1 C402 Cl40 49.2(3) . . ?
Cl1 C402 Cl40 114.8(4) 8_665 . ?
Cl40 C402 Cl40 153.5(5) 8_665 . ?
Cl1 C402 H40B 75.8 . . ?
Cl1 C402 H40B 147.2 8_665 . ?
Cl40 C402 H40B 98.4 8_665 . ?
Cl40 C402 H40B 97.0 . . ?
Cl1 C402 H40A 106.8 . . ?
Cl1 C402 H40A 108.2 8_665 . ?
Cl40 C402 H40A 62.7 8_665 . ?
Cl40 C402 H40A 136.9 . . ?
H40B C402 H40A 40.0 . . ?
Cl2 C402 H402 111.3 . . ?
Cl2 C402 H402 113.5 8_665 . ?
Cl2 C402 H402 113.55(19) . 8_665 ?
Cl2 C402 H402 111.3(4) 8_665 8_665 ?
Cl1 C402 H402 173.4(4) . 8_665 ?
Cl1 C402 H402 66.3(3) 8_665 8_665 ?
Cl40 C402 H402 71.6(2) 8_665 8_665 ?
Cl40 C402 H402 125.68(18) . 8_665 ?
H40B C402 H402 102.0 . 8_665 ?
H40A C402 H402 74.1 . 8_665 ?
H402 C402 H402 108.9 . 8_665 ?
C402 Cl1 H40B 33.3 . . ?

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
C11 P1 C1 C2 -142.1(7) . . . . ?
C11A P1 C1 C2 -140.8(6) . . . . ?
C17 P1 C1 C2 108.0(6) . . . . ?
Au1 P1 C1 C2 -19.7(6) . . . . ?
C11 P1 C1 C6 37.4(7) . . . . ?
C11A P1 C1 C6 38.8(7) . . . . ?
C17 P1 C1 C6 -72.4(6) . . . . ?
Au1 P1 C1 C6 159.9(5) . . . . ?
C6 C1 C2 C3 0.5(10) . . . . ?
P1 C1 C2 C3 -179.9(5) . . . . ?
C1 C2 C3 C4 -0.2(11) . . . . ?
C2 C3 C4 C5 0.4(11) . . . . ?
C3 C4 C5 C6 -0.9(11) . . . . ?
C4 C5 C6 C1 1.2(11) . . . . ?
C2 C1 C6 C5 -1.0(10) . . . . ?
P1 C1 C6 C5 179.4(5) . . . . ?
C1 P1 C11 C12 53.5(8) . . . . ?
C17 P1 C11 C12 164.2(7) . . . . ?
Au1 P1 C11 C12 -65.8(8) . . . . ?
C1 P1 C11 C16 -127.0(9) . . . . ?
C17 P1 C11 C16 -16.2(10) . . . . ?
Au1 P1 C11 C16 113.7(8) . . . . ?
C16 C11 C12 C13 0.0 . . . . ?
P1 C11 C12 C13 179.5(12) . . . . ?
C11 C12 C13 C14 0.0 . . . . ?
C12 C13 C14 C15 0.0 . . . . ?
C13 C14 C15 C16 0.0 . . . . ?
C14 C15 C16 C11 0.0 . . . . ?
C12 C11 C16 C15 0.0 . . . . ?
P1 C11 C16 C15 -179.5(12) . . . . ?
C1 P1 C17 C17 -53.4(5) . . . 7 ?
C11 P1 C17 C17 -159.3(7) . . . 7 ?
C11A P1 C17 C17 -167.7(5) . . . 7 ?
Au1 P1 C17 C17 71.2(5) . . . 7 ?
C25 N1 C18 O1 177.8(6) . . . . ?
Au1 N1 C18 O1 -6.8(9) . . . . ?
C25 N1 C18 C19 -2.4(7) . . . . ?
Au1 N1 C18 C19 173.1(4) . . . . ?
O1 C18 C19 O2 4.9(10) . . . . ?
N1 C18 C19 O2 -174.9(6) . . . . ?
O1 C18 C19 C20 -177.9(6) . . . . ?
N1 C18 C19 C20 2.3(7) . . . . ?
O2 C19 C20 C21 -6.5(13) . . . . ?
C18 C19 C20 C21 176.5(8) . . . . ?
O2 C19 C20 C25 175.8(7) . . . . ?
C18 C19 C20 C25 -1.2(7) . . . . ?
C25 C20 C21 C22 -1.0(12) . . . . ?
C19 C20 C21 C22 -178.4(8) . . . . ?
C20 C21 C22 C23 0.2(14) . . . . ?
C21 C22 C23 C24 0.6(14) . . . . ?
C22 C23 C24 C25 -0.7(12) . . . . ?
C23 C24 C25 N1 178.9(7) . . . . ?
C23 C24 C25 C20 -0.1(10) . . . . ?
C18 N1 C25 C24 -177.3(7) . . . . ?
Au1 N1 C25 C24 7.2(10) . . . . ?
C18 N1 C25 C20 1.7(8) . . . . ?
Au1 N1 C25 C20 -173.8(4) . . . . ?
C21 C20 C25 C24 0.9(11) . . . . ?
C19 C20 C25 C24 179.0(6) . . . . ?
C21 C20 C25 N1 -178.2(7) . . . . ?
C19 C20 C25 N1 -0.1(8) . . . . ?
C1 P1 C11A C12A 103.0(6) . . . . ?
C17 P1 C11A C12A -143.8(5) . . . . ?
Au1 P1 C11A C12A -18.7(6) . . . . ?
C1 P1 C11A C16A -71.5(6) . . . . ?
C17 P1 C11A C16A 41.7(6) . . . . ?
Au1 P1 C11A C16A 166.8(4) . . . . ?
C16A C11A C12A C13A 0.0 . . . . ?
P1 C11A C12A C13A -174.6(7) . . . . ?
C11A C12A C13A C14A 0.0 . . . . ?
C12A C13A C14A C15A 0.0 . . . . ?
C13A C14A C15A C16A 0.0 . . . . ?
C14A C15A C16A C11A 0.0 . . . . ?
C12A C11A C16A C15A 0.0 . . . . ?
P1 C11A C16A C15A 174.5(7) . . . . ?

_refine_diff_density_max         1.034
_refine_diff_density_min         -0.649
_refine_diff_density_rms         0.089

####################################################################### 
# 
# 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_c394
_database_code_depnum_ccdc_archive 'CCDC 1818689'
_audit_update_record             
;
2019-02-06 deposited with the CCDC.
2019-02-08 downloaded from the CCDC.
;
_audit_creation_date             2019-01-31
_audit_creation_method           
;
Olex2 1.3-dev
(compiled 2019.01.14 svn.r3558 for OlexSys, GUI svn.r5585)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C43 H34 Au2 N2 O4 P2, 0.5(H2 O), 5[H2O]'
_chemical_formula_sum            'C43 H45 Au2 N2 O9.50 P2'
_chemical_formula_weight         1197.68
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.74220(10)
_cell_length_b                   12.6084(2)
_cell_length_c                   20.5552(3)
_cell_angle_alpha                73.0820(10)
_cell_angle_beta                 88.8620(10)
_cell_angle_gamma                79.8740(10)
_cell_volume                     2132.70(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    19535
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.1510
_cell_measurement_theta_min      4.2880
_shelx_estimated_absorpt_T_max   0.721
_shelx_estimated_absorpt_T_min   0.513
_exptl_absorpt_coefficient_mu    7.004
_exptl_absorpt_correction_T_max  0.7194
_exptl_absorpt_correction_T_min  0.5110
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.865
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1162
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0344
_diffrn_reflns_av_unetI/netI     0.0255
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            41128
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.499
_diffrn_reflns_theta_min         4.147
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean 16.0655
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω rotations with narrow frames'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7074
_reflns_number_total             7908
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    SHELXS
_refine_diff_density_max         5.382
_refine_diff_density_min         -1.386
_refine_diff_density_rms         0.124
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     590
_refine_ls_number_reflns         7908
_refine_ls_number_restraints     206
_refine_ls_R_factor_all          0.0364
_refine_ls_R_factor_gt           0.0312
_refine_ls_restrained_S_all      1.016
_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)+(0.0297P)²+10.8006P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0688
_refine_ls_wR_factor_ref         0.0711
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Restrained distances
 Au2-N2 \\sim Au2-N2A
 with sigma of 0.02
 C27-C47 \\sim C27A-C47A
 with sigma of 0.02
 C27-C51 \\sim C27A-C51A
 with sigma of 0.02
 C27-N2 \\sim C27A-N2A
 with sigma of 0.02
 C45-C46 \\sim C45A-C46A
 with sigma of 0.02
 C45-N2 \\sim C45A-N2A
 with sigma of 0.02
 C45-O3 \\sim C45A-O3A
 with sigma of 0.02
 C46-O4 \\sim C46A-O4A
 with sigma of 0.02
 C46-C47 \\sim C46A-C47A
 with sigma of 0.02
 C47-C48 \\sim C47A-C48A
 with sigma of 0.02
 C48-C49 \\sim C48A-C49A
 with sigma of 0.02
 C49-C50 \\sim C49A-C50A
 with sigma of 0.02
 C50-C51 \\sim C50A-C51A
 with sigma of 0.02
 Au2-C27 \\sim Au2-C27A
 with sigma of 0.04
 Au2-C45 \\sim Au2-C45A
 with sigma of 0.04
 C27-C45 \\sim C27A-C45A
 with sigma of 0.04
 C27-C46 \\sim C27A-C46A
 with sigma of 0.04
 C27-C48 \\sim C27A-C48A
 with sigma of 0.04
 C27-C50 \\sim C27A-C50A
 with sigma of 0.04
 C45-O4 \\sim C45A-O4A
 with sigma of 0.04
 C45-C47 \\sim C45A-C47A
 with sigma of 0.04
 C46-C48 \\sim C46A-C48A
 with sigma of 0.04
 C46-N2 \\sim C46A-N2A
 with sigma of 0.04
 C46-O3 \\sim C46A-O3A
 with sigma of 0.04
 O4-C47 \\sim O4A-C47A
 with sigma of 0.04
 C47-C49 \\sim C47A-C49A
 with sigma of 0.04
 C47-C51 \\sim C47A-C51A
 with sigma of 0.04
 C47-N2 \\sim C47A-N2A
 with sigma of 0.04
 C48-C50 \\sim C48A-C50A
 with sigma of 0.04
 C49-C51 \\sim C49A-C51A
 with sigma of 0.04
 C51-N2 \\sim C51A-N2A
 with sigma of 0.04
 N2-O3 \\sim N2A-O3A
 with sigma of 0.04
3. Rigid body (RIGU) restrains
 C27, C51, C49, C45, O3, C46, C50, O4, N2, C47, C48
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C27A, C51A, C49A, C45A, O3A, C46A, C50A, O4A, N2A, C47A, C48A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
4. Others
 Sof(C27A)=Sof(C45A)=Sof(C46A)=Sof(O4A)=Sof(C47A)=Sof(C48A)=Sof(H48A)=
 Sof(C49A)=Sof(H49A)=Sof(C50A)=Sof(H50A)=Sof(C51A)=Sof(H51A)=Sof(N2A)=Sof(O3A)=
 1-FVAR(1)
 Sof(C27)=Sof(C45)=Sof(C46)=Sof(O4)=Sof(C47)=Sof(C48)=Sof(H48)=Sof(C49)=
 Sof(H49)=Sof(C50)=Sof(H50)=Sof(C51)=Sof(H51)=Sof(N2)=Sof(O3)=FVAR(1)
 Fixed Sof: O5(0.5) H5A(0.5) H5B(0.5)
5.a Free rotating group:
 O5(H5A,H5B)
5.b Secondary CH2 refined with riding coordinates:
 C17(H17A,H17B), C18(H18A,H18B), C19(H19A,H19B)
5.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C12(H12), C13(H13), C14(H14),
 C15(H15), C16(H16), C22(H22), C23(H23), C24(H24), C25(H25), C26(H26), C32(H32),
  C33(H33), C34(H34), C35(H35), C36(H36), C40(H40), C41(H41), C42(H42),
 C43(H43), C48(H48), C49(H49), C50(H50), C51(H51), C48A(H48A), C49A(H49A),
 C50A(H50A), C51A(H51A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au -0.00737(2) 0.42408(2) 0.31902(2) 0.02368(6) Uani 1 1 d . . . . .
Au2 Au 0.51876(2) 0.22314(2) 0.08810(2) 0.02486(7) Uani 1 1 d D . . . .
C1 C 0.0047(6) 0.5657(4) 0.1523(3) 0.0216(11) Uani 1 1 d . . . . .
C2 C 0.0477(7) 0.6423(6) 0.0952(3) 0.0438(16) Uani 1 1 d . . . . .
H2 H 0.124355 0.685217 0.099130 0.053 Uiso 1 1 calc R . . . .
C3 C -0.0198(8) 0.6570(6) 0.0324(3) 0.0465(17) Uani 1 1 d . . . . .
H3 H 0.010852 0.709895 -0.006606 0.056 Uiso 1 1 calc R . . . .
C4 C -0.1303(7) 0.5965(5) 0.0257(3) 0.0363(14) Uani 1 1 d . . . . .
H4 H -0.177272 0.607562 -0.017565 0.044 Uiso 1 1 calc R . . . .
C5 C -0.1729(9) 0.5199(6) 0.0818(3) 0.0526(19) Uani 1 1 d . . . . .
H5 H -0.248227 0.476331 0.077313 0.063 Uiso 1 1 calc R . . . .
C6 C -0.1070(8) 0.5052(6) 0.1450(3) 0.0419(16) Uani 1 1 d . . . . .
H6 H -0.139222 0.452804 0.183896 0.050 Uiso 1 1 calc R . . . .
C11 C 0.0619(6) 0.6868(4) 0.2453(3) 0.0235(11) Uani 1 1 d . . . . .
C12 C 0.1598(7) 0.7626(5) 0.2195(3) 0.0324(13) Uani 1 1 d . . . . .
H12 H 0.249453 0.741383 0.196163 0.039 Uiso 1 1 calc R . . . .
C13 C 0.1278(7) 0.8698(5) 0.2276(3) 0.0361(14) Uani 1 1 d . . . . .
H13 H 0.194731 0.922123 0.209275 0.043 Uiso 1 1 calc R . . . .
C14 C -0.0008(7) 0.8999(5) 0.2620(3) 0.0375(14) Uani 1 1 d . . . . .
H14 H -0.022205 0.973320 0.267401 0.045 Uiso 1 1 calc R . . . .
C15 C -0.0988(7) 0.8254(5) 0.2887(4) 0.0442(16) Uani 1 1 d . . . . .
H15 H -0.186944 0.846403 0.312893 0.053 Uiso 1 1 calc R . . . .
C16 C -0.0671(7) 0.7188(5) 0.2797(3) 0.0377(14) Uani 1 1 d . . . . .
H16 H -0.135213 0.667104 0.297454 0.045 Uiso 1 1 calc R . . . .
C17 C 0.3010(6) 0.5090(4) 0.2256(3) 0.0218(11) Uani 1 1 d . . . . .
H17A H 0.335391 0.568435 0.188140 0.026 Uiso 1 1 calc R . . . .
H17B H 0.355956 0.505651 0.268030 0.026 Uiso 1 1 calc R . . . .
C18 C 0.3455(5) 0.3962(4) 0.2109(3) 0.0204(10) Uani 1 1 d . . . . .
H18A H 0.297054 0.400397 0.166856 0.024 Uiso 1 1 calc R . . . .
H18B H 0.306945 0.336779 0.246932 0.024 Uiso 1 1 calc R . . . .
C19 C 0.5222(5) 0.3668(4) 0.2081(3) 0.0196(10) Uani 1 1 d . . . . .
H19A H 0.568640 0.362920 0.252452 0.024 Uiso 1 1 calc R . . . .
H19B H 0.559082 0.428347 0.172982 0.024 Uiso 1 1 calc R . . . .
C21 C 0.5330(5) 0.1229(4) 0.2574(2) 0.0182(10) Uani 1 1 d . . . . .
C22 C 0.4968(6) 0.1333(4) 0.3215(3) 0.0226(11) Uani 1 1 d . . . . .
H22 H 0.504249 0.200979 0.331895 0.027 Uiso 1 1 calc R . . . .
C23 C 0.4504(6) 0.0455(5) 0.3700(3) 0.0311(13) Uani 1 1 d . . . . .
H23 H 0.423576 0.053306 0.413543 0.037 Uiso 1 1 calc R . . . .
C24 C 0.4421(6) -0.0546(5) 0.3560(3) 0.0302(13) Uani 1 1 d . . . . .
H24 H 0.409953 -0.114982 0.389868 0.036 Uiso 1 1 calc R . . . .
C25 C 0.4804(6) -0.0659(5) 0.2933(3) 0.0291(12) Uani 1 1 d . . . . .
H25 H 0.476420 -0.134787 0.283829 0.035 Uiso 1 1 calc R . . . .
C26 C 0.5248(6) 0.0220(4) 0.2438(3) 0.0229(11) Uani 1 1 d . . . . .
H26 H 0.549979 0.013906 0.200171 0.028 Uiso 1 1 calc R . . . .
C27 C 0.3568(11) 0.1146(10) -0.0051(5) 0.024(2) Uani 0.627(9) 1 d D U P A 1
C31 C 0.8022(5) 0.2133(4) 0.2006(2) 0.0170(10) Uani 1 1 d . . . . .
C32 C 0.8700(6) 0.2009(4) 0.2631(3) 0.0218(11) Uani 1 1 d . . . . .
H32 H 0.806327 0.205681 0.300459 0.026 Uiso 1 1 calc R . . . .
C33 C 1.0304(6) 0.1815(4) 0.2716(3) 0.0244(11) Uani 1 1 d . . . . .
H33 H 1.077091 0.171213 0.314851 0.029 Uiso 1 1 calc R . . . .
C34 C 1.1212(6) 0.1772(4) 0.2167(3) 0.0270(12) Uani 1 1 d . . . . .
H34 H 1.231186 0.163682 0.222418 0.032 Uiso 1 1 calc R . . . .
C35 C 1.0558(6) 0.1922(5) 0.1535(3) 0.0327(13) Uani 1 1 d . . . . .
H35 H 1.119941 0.190448 0.115859 0.039 Uiso 1 1 calc R . . . .
C36 C 0.8949(6) 0.2100(4) 0.1454(3) 0.0244(11) Uani 1 1 d . . . . .
H36 H 0.848530 0.219818 0.102182 0.029 Uiso 1 1 calc R . . . .
C37 C -0.2454(8) 0.3009(5) 0.4022(3) 0.0366(15) Uani 1 1 d . . . . .
C38 C -0.2609(8) 0.2019(5) 0.4676(3) 0.0405(15) Uani 1 1 d . . . . .
C39 C -0.1019(8) 0.1648(5) 0.4974(3) 0.0404(15) Uani 1 1 d . . . . .
C40 C -0.0392(10) 0.0812(6) 0.5550(3) 0.0509(18) Uani 1 1 d . . . . .
H40 H -0.103031 0.036771 0.585104 0.061 Uiso 1 1 calc R . . . .
C41 C 0.1211(9) 0.0642(6) 0.5675(3) 0.0490(18) Uani 1 1 d . . . . .
H41 H 0.168046 0.007783 0.606754 0.059 Uiso 1 1 calc R . . . .
C42 C 0.2121(9) 0.1300(6) 0.5222(3) 0.0466(17) Uani 1 1 d . . . . .
H42 H 0.321049 0.116929 0.531141 0.056 Uiso 1 1 calc R . . . .
C43 C 0.1495(8) 0.2133(5) 0.4648(3) 0.0394(15) Uani 1 1 d . . . . .
H43 H 0.213591 0.257256 0.434538 0.047 Uiso 1 1 calc R . . . .
C44 C -0.0086(8) 0.2313(5) 0.4526(3) 0.0341(14) Uani 1 1 d . . . . .
C45 C 0.5029(10) 0.2396(10) -0.0630(4) 0.031(2) Uani 0.627(9) 1 d D U P A 1
C46 C 0.4221(11) 0.1939(11) -0.1147(4) 0.036(2) Uani 0.627(9) 1 d D U P A 1
O4 O 0.4464(8) 0.2177(8) -0.1751(3) 0.053(3) Uani 0.627(9) 1 d D U P A 1
C47 C 0.3272(10) 0.1191(11) -0.0737(5) 0.0306(19) Uani 0.627(9) 1 d D U P A 1
C48 C 0.2281(14) 0.0530(14) -0.0889(7) 0.040(3) Uani 0.627(9) 1 d D U P A 1
H48 H 0.208471 0.055314 -0.134594 0.048 Uiso 0.627(9) 1 calc R . P A 1
C49 C 0.1621(14) -0.0132(12) -0.0377(7) 0.052(3) Uani 0.627(9) 1 d D U P A 1
H49 H 0.093167 -0.056984 -0.047943 0.062 Uiso 0.627(9) 1 calc R . P A 1
C50 C 0.1900(13) -0.0214(10) 0.0320(6) 0.044(2) Uani 0.627(9) 1 d D U P A 1
H50 H 0.141231 -0.070032 0.067114 0.053 Uiso 0.627(9) 1 calc R . P A 1
C51 C 0.2905(14) 0.0434(9) 0.0476(6) 0.031(2) Uani 0.627(9) 1 d D U P A 1
H51 H 0.312607 0.038479 0.093542 0.037 Uiso 0.627(9) 1 calc R . P A 1
N1 N -0.0978(6) 0.3121(4) 0.3974(2) 0.0315(11) Uani 1 1 d . . . . .
N2 N 0.4558(12) 0.1891(8) -0.0001(4) 0.027(2) Uani 0.627(9) 1 d D U P A 1
O1 O -0.3560(5) 0.3537(4) 0.3633(2) 0.0415(10) Uani 1 1 d . . . . .
O2 O -0.3800(6) 0.1682(4) 0.4847(2) 0.0551(13) Uani 1 1 d . . . . .
O3 O 0.5902(8) 0.3064(7) -0.0790(4) 0.045(2) Uani 0.627(9) 1 d D U P A 1
P1 P 0.09233(15) 0.54668(10) 0.23484(7) 0.0195(3) Uani 1 1 d . . . . .
P2 P 0.59207(14) 0.23469(10) 0.18927(6) 0.0168(3) Uani 1 1 d . . . . .
C27A C 0.3698(18) 0.1534(15) -0.0198(7) 0.020(3) Uani 0.373(9) 1 d D U P A 2
C45A C 0.4813(15) 0.3088(12) -0.0634(6) 0.021(3) Uani 0.373(9) 1 d D U P A 2
C46A C 0.4151(16) 0.2725(14) -0.1229(6) 0.027(3) Uani 0.373(9) 1 d D U P A 2
O4A O 0.4264(14) 0.3212(11) -0.1818(5) 0.039(3) Uani 0.373(9) 1 d D U P A 2
C47A C 0.3425(17) 0.1766(14) -0.0902(7) 0.023(3) Uani 0.373(9) 1 d D U P A 2
C48A C 0.2608(17) 0.1091(14) -0.1133(8) 0.027(3) Uani 0.373(9) 1 d D U P A 2
H48A H 0.238011 0.125942 -0.160617 0.033 Uiso 0.373(9) 1 calc R . P A 2
C49A C 0.214(3) 0.0214(15) -0.0700(9) 0.030(4) Uani 0.373(9) 1 d D U P A 2
H49A H 0.161637 -0.025228 -0.086982 0.036 Uiso 0.373(9) 1 calc R . P A 2
C50A C 0.2420(19) -0.0051(13) 0.0019(8) 0.031(3) Uani 0.373(9) 1 d D U P A 2
H50A H 0.207382 -0.068346 0.032039 0.037 Uiso 0.373(9) 1 calc R . P A 2
C51A C 0.3208(18) 0.0635(13) 0.0275(8) 0.019(3) Uani 0.373(9) 1 d D U P A 2
H51A H 0.339505 0.048815 0.074975 0.023 Uiso 0.373(9) 1 calc R . P A 2
N2A N 0.4503(18) 0.2310(13) -0.0060(5) 0.021(3) Uani 0.373(9) 1 d D U P A 2
O3A O 0.5453(12) 0.3872(10) -0.0694(5) 0.031(3) Uani 0.373(9) 1 d D U P A 2
O5 O 0.5870(17) 0.4996(9) -0.0382(6) 0.065(3) Uani 0.5 1 d . . P B -1
H5A H 0.522267 0.485923 -0.005347 0.097 Uiso 0.5 1 d G . P B -1
H5B H 0.643251 0.434200 -0.035439 0.097 Uiso 0.5 1 d G . P B -1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 N1 2.057(4) . ?
Au1 P1 2.2362(13) . ?
Au2 N2 2.086(7) . ?
Au2 P2 2.2403(12) . ?
Au2 N2A 2.005(10) . ?
C1 C2 1.380(8) . ?
C1 C6 1.376(8) . ?
C1 P1 1.809(5) . ?
C2 H2 0.9500 . ?
C2 C3 1.379(9) . ?
C3 H3 0.9500 . ?
C3 C4 1.364(9) . ?
C4 H4 0.9500 . ?
C4 C5 1.364(9) . ?
C5 H5 0.9500 . ?
C5 C6 1.381(9) . ?
C6 H6 0.9500 . ?
C11 C12 1.379(8) . ?
C11 C16 1.381(8) . ?
C11 P1 1.815(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.388(8) . ?
C13 H13 0.9500 . ?
C13 C14 1.372(9) . ?
C14 H14 0.9500 . ?
C14 C15 1.372(9) . ?
C15 H15 0.9500 . ?
C15 C16 1.388(8) . ?
C16 H16 0.9500 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.523(7) . ?
C17 P1 1.823(5) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C19 1.528(6) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 P2 1.818(5) . ?
C21 C22 1.388(7) . ?
C21 C26 1.392(7) . ?
C21 P2 1.814(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.372(8) . ?
C23 H23 0.9500 . ?
C23 C24 1.387(8) . ?
C24 H24 0.9500 . ?
C24 C25 1.366(8) . ?
C25 H25 0.9500 . ?
C25 C26 1.376(8) . ?
C26 H26 0.9500 . ?
C27 C47 1.422(11) . ?
C27 C51 1.382(14) . ?
C27 N2 1.410(12) . ?
C31 C32 1.380(7) . ?
C31 C36 1.387(7) . ?
C31 P2 1.819(5) . ?
C32 H32 0.9500 . ?
C32 C33 1.386(7) . ?
C33 H33 0.9500 . ?
C33 C34 1.376(8) . ?
C34 H34 0.9500 . ?
C34 C35 1.377(8) . ?
C35 H35 0.9500 . ?
C35 C36 1.390(7) . ?
C36 H36 0.9500 . ?
C37 C38 1.569(8) . ?
C37 N1 1.321(8) . ?
C37 O1 1.229(8) . ?
C38 C39 1.471(10) . ?
C38 O2 1.201(8) . ?
C39 C40 1.382(9) . ?
C39 C44 1.406(9) . ?
C40 H40 0.9500 . ?
C40 C41 1.398(11) . ?
C41 H41 0.9500 . ?
C41 C42 1.393(10) . ?
C42 H42 0.9500 . ?
C42 C43 1.377(9) . ?
C43 H43 0.9500 . ?
C43 C44 1.377(9) . ?
C44 N1 1.421(7) . ?
C45 C46 1.578(11) . ?
C45 N2 1.356(11) . ?
C45 O3 1.207(11) . ?
C46 O4 1.213(10) . ?
C46 C47 1.439(14) . ?
C47 C48 1.399(15) . ?
C48 H48 0.9500 . ?
C48 C49 1.331(17) . ?
C49 H49 0.9500 . ?
C49 C50 1.428(15) . ?
C50 H50 0.9500 . ?
C50 C51 1.399(12) . ?
C51 H51 0.9500 . ?
C27A C47A 1.407(14) . ?
C27A C51A 1.388(17) . ?
C27A N2A 1.394(15) . ?
C45A C46A 1.578(15) . ?
C45A N2A 1.355(14) . ?
C45A O3A 1.195(14) . ?
C46A O4A 1.197(13) . ?
C46A C47A 1.448(17) . ?
C47A C48A 1.387(17) . ?
C48A H48A 0.9500 . ?
C48A C49A 1.32(2) . ?
C49A H49A 0.9500 . ?
C49A C50A 1.431(19) . ?
C50A H50A 0.9500 . ?
C50A C51A 1.411(15) . ?
C51A H51A 0.9500 . ?
O5 H5A 0.8702 . ?
O5 H5B 0.8699 . ?

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
N1 Au1 P1 179.25(13) . . ?
N2 Au2 P2 172.3(3) . . ?
N2A Au2 P2 173.8(4) . . ?
C2 C1 P1 120.5(4) . . ?
C6 C1 C2 118.5(5) . . ?
C6 C1 P1 121.0(4) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 C1 120.4(6) . . ?
C3 C2 H2 119.8 . . ?
C2 C3 H3 119.7 . . ?
C4 C3 C2 120.7(6) . . ?
C4 C3 H3 119.7 . . ?
C3 C4 H4 120.3 . . ?
C3 C4 C5 119.4(6) . . ?
C5 C4 H4 120.3 . . ?
C4 C5 H5 119.8 . . ?
C4 C5 C6 120.4(6) . . ?
C6 C5 H5 119.8 . . ?
C1 C6 C5 120.6(6) . . ?
C1 C6 H6 119.7 . . ?
C5 C6 H6 119.7 . . ?
C12 C11 C16 119.1(5) . . ?
C12 C11 P1 122.9(4) . . ?
C16 C11 P1 118.0(4) . . ?
C11 C12 H12 119.9 . . ?
C11 C12 C13 120.2(5) . . ?
C13 C12 H12 119.9 . . ?
C12 C13 H13 120.1 . . ?
C14 C13 C12 119.9(5) . . ?
C14 C13 H13 120.1 . . ?
C13 C14 H14 119.6 . . ?
C15 C14 C13 120.8(5) . . ?
C15 C14 H14 119.6 . . ?
C14 C15 H15 120.5 . . ?
C14 C15 C16 119.0(6) . . ?
C16 C15 H15 120.5 . . ?
C11 C16 C15 121.0(6) . . ?
C11 C16 H16 119.5 . . ?
C15 C16 H16 119.5 . . ?
H17A C17 H17B 107.8 . . ?
C18 C17 H17A 109.1 . . ?
C18 C17 H17B 109.1 . . ?
C18 C17 P1 112.5(3) . . ?
P1 C17 H17A 109.1 . . ?
P1 C17 H17B 109.1 . . ?
C17 C18 H18A 109.7 . . ?
C17 C18 H18B 109.7 . . ?
C17 C18 C19 109.6(4) . . ?
H18A C18 H18B 108.2 . . ?
C19 C18 H18A 109.7 . . ?
C19 C18 H18B 109.7 . . ?
C18 C19 H19A 108.7 . . ?
C18 C19 H19B 108.7 . . ?
C18 C19 P2 114.4(3) . . ?
H19A C19 H19B 107.6 . . ?
P2 C19 H19A 108.7 . . ?
P2 C19 H19B 108.7 . . ?
C22 C21 C26 119.2(5) . . ?
C22 C21 P2 123.3(4) . . ?
C26 C21 P2 117.6(4) . . ?
C21 C22 H22 120.2 . . ?
C23 C22 C21 119.7(5) . . ?
C23 C22 H22 120.2 . . ?
C22 C23 H23 119.6 . . ?
C22 C23 C24 120.8(5) . . ?
C24 C23 H23 119.6 . . ?
C23 C24 H24 120.2 . . ?
C25 C24 C23 119.7(5) . . ?
C25 C24 H24 120.2 . . ?
C24 C25 H25 119.9 . . ?
C24 C25 C26 120.2(5) . . ?
C26 C25 H25 119.9 . . ?
C21 C26 H26 119.8 . . ?
C25 C26 C21 120.4(5) . . ?
C25 C26 H26 119.8 . . ?
C51 C27 C47 120.5(9) . . ?
C51 C27 N2 127.3(7) . . ?
N2 C27 C47 112.3(9) . . ?
C32 C31 C36 119.9(4) . . ?
C32 C31 P2 120.9(4) . . ?
C36 C31 P2 119.2(4) . . ?
C31 C32 H32 119.8 . . ?
C31 C32 C33 120.4(5) . . ?
C33 C32 H32 119.8 . . ?
C32 C33 H33 120.4 . . ?
C34 C33 C32 119.2(5) . . ?
C34 C33 H33 120.4 . . ?
C33 C34 H34 119.4 . . ?
C33 C34 C35 121.3(5) . . ?
C35 C34 H34 119.4 . . ?
C34 C35 H35 120.3 . . ?
C34 C35 C36 119.3(5) . . ?
C36 C35 H35 120.3 . . ?
C31 C36 C35 119.9(5) . . ?
C31 C36 H36 120.1 . . ?
C35 C36 H36 120.1 . . ?
N1 C37 C38 108.1(5) . . ?
O1 C37 C38 123.0(6) . . ?
O1 C37 N1 128.8(5) . . ?
C39 C38 C37 103.9(5) . . ?
O2 C38 C37 124.2(6) . . ?
O2 C38 C39 131.9(6) . . ?
C40 C39 C38 132.3(6) . . ?
C40 C39 C44 121.5(7) . . ?
C44 C39 C38 106.2(5) . . ?
C39 C40 H40 121.1 . . ?
C39 C40 C41 117.8(7) . . ?
C41 C40 H40 121.1 . . ?
C40 C41 H41 120.1 . . ?
C42 C41 C40 119.9(6) . . ?
C42 C41 H41 120.1 . . ?
C41 C42 H42 118.9 . . ?
C43 C42 C41 122.3(7) . . ?
C43 C42 H42 118.9 . . ?
C42 C43 H43 120.9 . . ?
C42 C43 C44 118.1(6) . . ?
C44 C43 H43 120.9 . . ?
C39 C44 N1 111.8(6) . . ?
C43 C44 C39 120.4(6) . . ?
C43 C44 N1 127.8(6) . . ?
N2 C45 C46 107.0(8) . . ?
O3 C45 C46 124.4(8) . . ?
O3 C45 N2 128.5(8) . . ?
O4 C46 C45 123.8(9) . . ?
O4 C46 C47 131.0(9) . . ?
C47 C46 C45 105.1(7) . . ?
C27 C47 C46 106.2(8) . . ?
C48 C47 C27 120.4(11) . . ?
C48 C47 C46 133.2(9) . . ?
C47 C48 H48 120.8 . . ?
C49 C48 C47 118.4(10) . . ?
C49 C48 H48 120.8 . . ?
C48 C49 H49 118.5 . . ?
C48 C49 C50 123.0(10) . . ?
C50 C49 H49 118.5 . . ?
C49 C50 H50 120.5 . . ?
C51 C50 C49 118.9(11) . . ?
C51 C50 H50 120.5 . . ?
C27 C51 C50 118.7(9) . . ?
C27 C51 H51 120.7 . . ?
C50 C51 H51 120.7 . . ?
C37 N1 Au1 125.3(4) . . ?
C37 N1 C44 110.0(5) . . ?
C44 N1 Au1 124.7(4) . . ?
C27 N2 Au2 126.9(6) . . ?
C45 N2 Au2 123.9(6) . . ?
C45 N2 C27 109.2(7) . . ?
C1 P1 Au1 112.99(17) . . ?
C1 P1 C11 104.8(2) . . ?
C1 P1 C17 105.6(2) . . ?
C11 P1 Au1 112.37(18) . . ?
C11 P1 C17 105.7(2) . . ?
C17 P1 Au1 114.56(17) . . ?
C19 P2 Au2 116.73(17) . . ?
C19 P2 C31 104.4(2) . . ?
C21 P2 Au2 110.24(16) . . ?
C21 P2 C19 107.5(2) . . ?
C21 P2 C31 104.6(2) . . ?
C31 P2 Au2 112.58(17) . . ?
C51A C27A C47A 122.3(12) . . ?
C51A C27A N2A 126.6(10) . . ?
N2A C27A C47A 111.1(12) . . ?
N2A C45A C46A 104.4(10) . . ?
O3A C45A C46A 126.4(11) . . ?
O3A C45A N2A 129.2(11) . . ?
O4A C46A C45A 122.9(12) . . ?
O4A C46A C47A 131.4(12) . . ?
C47A C46A C45A 105.7(9) . . ?
C27A C47A C46A 106.5(11) . . ?
C48A C47A C27A 119.1(14) . . ?
C48A C47A C46A 134.4(12) . . ?
C47A C48A H48A 119.8 . . ?
C49A C48A C47A 120.4(14) . . ?
C49A C48A H48A 119.8 . . ?
C48A C49A H49A 119.2 . . ?
C48A C49A C50A 121.7(14) . . ?
C50A C49A H49A 119.2 . . ?
C49A C50A H50A 120.2 . . ?
C51A C50A C49A 119.6(15) . . ?
C51A C50A H50A 120.2 . . ?
C27A C51A C50A 116.9(13) . . ?
C27A C51A H51A 121.6 . . ?
C50A C51A H51A 121.6 . . ?
C27A N2A Au2 123.3(8) . . ?
C45A N2A Au2 124.4(9) . . ?
C45A N2A C27A 112.2(10) . . ?
H5A O5 H5B 104.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 C2 C3 C4 0.2(11) . . . . ?
C2 C1 C6 C5 0.9(10) . . . . ?
C2 C1 P1 Au1 177.0(4) . . . . ?
C2 C1 P1 C11 54.3(5) . . . . ?
C2 C1 P1 C17 -57.0(5) . . . . ?
C2 C3 C4 C5 -0.7(11) . . . . ?
C3 C4 C5 C6 1.3(11) . . . . ?
C4 C5 C6 C1 -1.4(12) . . . . ?
C6 C1 C2 C3 -0.3(10) . . . . ?
C6 C1 P1 Au1 -2.3(5) . . . . ?
C6 C1 P1 C11 -125.0(5) . . . . ?
C6 C1 P1 C17 123.6(5) . . . . ?
C11 C12 C13 C14 0.7(9) . . . . ?
C12 C11 C16 C15 -0.2(9) . . . . ?
C12 C11 P1 Au1 152.5(4) . . . . ?
C12 C11 P1 C1 -84.4(5) . . . . ?
C12 C11 P1 C17 26.9(5) . . . . ?
C12 C13 C14 C15 -0.1(10) . . . . ?
C13 C14 C15 C16 -0.7(10) . . . . ?
C14 C15 C16 C11 0.9(10) . . . . ?
C16 C11 C12 C13 -0.6(9) . . . . ?
C16 C11 P1 Au1 -28.7(5) . . . . ?
C16 C11 P1 C1 94.4(5) . . . . ?
C16 C11 P1 C17 -154.3(5) . . . . ?
C17 C18 C19 P2 -179.0(3) . . . . ?
C18 C17 P1 Au1 60.1(4) . . . . ?
C18 C17 P1 C1 -64.9(4) . . . . ?
C18 C17 P1 C11 -175.6(4) . . . . ?
C18 C19 P2 Au2 62.4(4) . . . . ?
C18 C19 P2 C21 -61.9(4) . . . . ?
C18 C19 P2 C31 -172.6(4) . . . . ?
C21 C22 C23 C24 1.3(8) . . . . ?
C22 C21 C26 C25 0.4(7) . . . . ?
C22 C21 P2 Au2 -150.1(4) . . . . ?
C22 C21 P2 C19 -21.9(5) . . . . ?
C22 C21 P2 C31 88.6(4) . . . . ?
C22 C23 C24 C25 -0.1(8) . . . . ?
C23 C24 C25 C26 -1.0(8) . . . . ?
C24 C25 C26 C21 0.8(8) . . . . ?
C26 C21 C22 C23 -1.5(7) . . . . ?
C26 C21 P2 Au2 30.2(4) . . . . ?
C26 C21 P2 C19 158.4(4) . . . . ?
C26 C21 P2 C31 -91.1(4) . . . . ?
C27 C47 C48 C49 0.4(18) . . . . ?
C31 C32 C33 C34 1.4(7) . . . . ?
C32 C31 C36 C35 1.1(7) . . . . ?
C32 C31 P2 Au2 -170.4(3) . . . . ?
C32 C31 P2 C19 62.0(4) . . . . ?
C32 C31 P2 C21 -50.7(4) . . . . ?
C32 C33 C34 C35 0.2(8) . . . . ?
C33 C34 C35 C36 -1.2(8) . . . . ?
C34 C35 C36 C31 0.5(8) . . . . ?
C36 C31 C32 C33 -2.1(7) . . . . ?
C36 C31 P2 Au2 9.8(4) . . . . ?
C36 C31 P2 C19 -117.7(4) . . . . ?
C36 C31 P2 C21 129.5(4) . . . . ?
C37 C38 C39 C40 -179.9(7) . . . . ?
C37 C38 C39 C44 -2.3(6) . . . . ?
C38 C37 N1 Au1 177.0(3) . . . . ?
C38 C37 N1 C44 0.0(6) . . . . ?
C38 C39 C40 C41 177.1(7) . . . . ?
C38 C39 C44 C43 -177.1(5) . . . . ?
C38 C39 C44 N1 2.5(7) . . . . ?
C39 C40 C41 C42 -0.5(10) . . . . ?
C39 C44 N1 Au1 -178.6(4) . . . . ?
C39 C44 N1 C37 -1.6(7) . . . . ?
C40 C39 C44 C43 0.9(9) . . . . ?
C40 C39 C44 N1 -179.6(6) . . . . ?
C40 C41 C42 C43 0.6(10) . . . . ?
C41 C42 C43 C44 0.1(10) . . . . ?
C42 C43 C44 C39 -0.8(9) . . . . ?
C42 C43 C44 N1 179.8(5) . . . . ?
C43 C44 N1 Au1 0.9(8) . . . . ?
C43 C44 N1 C37 177.9(6) . . . . ?
C44 C39 C40 C41 -0.2(10) . . . . ?
C45 C46 C47 C27 -3.7(11) . . . . ?
C45 C46 C47 C48 -179.9(13) . . . . ?
C46 C45 N2 Au2 -177.2(7) . . . . ?
C46 C45 N2 C27 1.2(12) . . . . ?
C46 C47 C48 C49 176.3(12) . . . . ?
O4 C46 C47 C27 173.5(12) . . . . ?
O4 C46 C47 C48 -3(2) . . . . ?
C47 C27 C51 C50 -1.9(16) . . . . ?
C47 C27 N2 Au2 174.6(8) . . . . ?
C47 C27 N2 C45 -3.8(12) . . . . ?
C47 C48 C49 C50 -1(2) . . . . ?
C48 C49 C50 C51 0.4(19) . . . . ?
C49 C50 C51 C27 1.2(17) . . . . ?
C51 C27 C47 C46 -175.7(10) . . . . ?
C51 C27 C47 C48 1.2(16) . . . . ?
C51 C27 N2 Au2 -5.0(16) . . . . ?
C51 C27 N2 C45 176.7(11) . . . . ?
N1 C37 C38 C39 1.4(6) . . . . ?
N1 C37 C38 O2 -177.1(6) . . . . ?
N2 C27 C47 C46 4.8(12) . . . . ?
N2 C27 C47 C48 -178.4(10) . . . . ?
N2 C27 C51 C50 177.6(10) . . . . ?
N2 C45 C46 O4 -175.8(11) . . . . ?
N2 C45 C46 C47 1.6(12) . . . . ?
O1 C37 C38 C39 179.9(5) . . . . ?
O1 C37 C38 O2 1.4(10) . . . . ?
O1 C37 N1 Au1 -1.3(9) . . . . ?
O1 C37 N1 C44 -178.4(6) . . . . ?
O2 C38 C39 C40 -1.5(13) . . . . ?
O2 C38 C39 C44 176.1(7) . . . . ?
O3 C45 C46 O4 3.8(18) . . . . ?
O3 C45 C46 C47 -178.8(11) . . . . ?
O3 C45 N2 Au2 3.2(17) . . . . ?
O3 C45 N2 C27 -178.4(11) . . . . ?
P1 C1 C2 C3 -179.7(5) . . . . ?
P1 C1 C6 C5 -179.7(6) . . . . ?
P1 C11 C12 C13 178.1(5) . . . . ?
P1 C11 C16 C15 -179.0(5) . . . . ?
P1 C17 C18 C19 -176.6(3) . . . . ?
P2 C21 C22 C23 178.8(4) . . . . ?
P2 C21 C26 C25 -179.9(4) . . . . ?
P2 C31 C32 C33 178.2(4) . . . . ?
P2 C31 C36 C35 -179.1(4) . . . . ?
C27A C47A C48A C49A -3(2) . . . . ?
C45A C46A C47A C27A -3.2(17) . . . . ?
C45A C46A C47A C48A 177.8(16) . . . . ?
C46A C45A N2A Au2 175.5(11) . . . . ?
C46A C45A N2A C27A -2.1(18) . . . . ?
C46A C47A C48A C49A 176(2) . . . . ?
O4A C46A C47A C27A 178.0(18) . . . . ?
O4A C46A C47A C48A -1(3) . . . . ?
C47A C27A C51A C50A 0(2) . . . . ?
C47A C27A N2A Au2 -177.5(12) . . . . ?
C47A C27A N2A C45A 0(2) . . . . ?
C47A C48A C49A C50A 2(3) . . . . ?
C48A C49A C50A C51A 0(3) . . . . ?
C49A C50A C51A C27A -1(2) . . . . ?
C51A C27A C47A C46A -177.7(15) . . . . ?
C51A C27A C47A C48A 1(2) . . . . ?
C51A C27A N2A Au2 2(2) . . . . ?
C51A C27A N2A C45A 180.0(16) . . . . ?
N2A C27A C47A C46A 2.1(19) . . . . ?
N2A C27A C47A C48A -178.7(14) . . . . ?
N2A C27A C51A C50A -179.5(16) . . . . ?
N2A C45A C46A O4A -177.8(16) . . . . ?
N2A C45A C46A C47A 3.3(16) . . . . ?
O3A C45A C46A O4A 2(2) . . . . ?
O3A C45A C46A C47A -177.4(15) . . . . ?
O3A C45A N2A Au2 -4(3) . . . . ?
O3A C45A N2A C27A 178.6(15) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 99 electrons were 
found in a volume of 320Å^3 in 1 void. 
This is consistent with the presence of 
5[H2O] per formula unit 
which account for 100 electrons.
;
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.169 0.500 0.500 319.8 98.7 '5 water'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_c385
_database_code_depnum_ccdc_archive 'CCDC 1818690'
_audit_update_record             
;
2019-01-25 deposited with the CCDC.
2019-02-08 downloaded from the CCDC.
;


_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C46 H40 Au2 N2 O4 P2'
_chemical_formula_weight         1140.67

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'
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/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                   15.0715(3)
_cell_length_b                   16.1923(3)
_cell_length_c                   33.2894(7)
_cell_angle_alpha                90
_cell_angle_beta                 98.857(2)
_cell_angle_gamma                90
_cell_volume                     8027.1(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    18683
_cell_measurement_theta_min      4.3020
_cell_measurement_theta_max      29.3690

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.888
_exptl_crystal_F_000             4400
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.160
_exptl_absorpt_coefficient_mu    7.429
_shelx_estimated_absorpt_T_min   0.165
_shelx_estimated_absorpt_T_max   0.383
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1646
_exptl_absorpt_correction_T_max  0.3828
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'W rotations'
_diffrn_detector_area_resol_mean 16.0655
_diffrn_reflns_number            57311
_diffrn_reflns_av_unetI/netI     0.0641
_diffrn_reflns_av_R_equivalents  0.0638
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_theta_min         4.140
_diffrn_reflns_theta_max         25.499
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             14882
_reflns_number_gt                11715
_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       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_structure_solution    SHELXS
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    XP
_computing_publication_material  XCIF
_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)+(0.0231P)²+80.2197P] 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         14882
_refine_ls_number_parameters     1017
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0774
_refine_ls_R_factor_gt           0.0548
_refine_ls_wR_factor_ref         0.1067
_refine_ls_wR_factor_gt          0.1013
_refine_ls_goodness_of_fit_ref   1.213
_refine_ls_restrained_S_all      1.213
_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 0.45357(2) 0.33691(2) 0.08826(2) 0.01574(10) Uani 1 1 d . . . . .
Au2 Au 0.51017(2) 0.30382(2) 0.17737(2) 0.01694(10) Uani 1 1 d . . . . .
P1 P 0.59198(16) 0.37453(17) 0.07910(8) 0.0161(6) Uani 1 1 d . . . . .
P2 P 0.60551(16) 0.40971(17) 0.19182(8) 0.0179(6) Uani 1 1 d . . . . .
C1 C 0.6788(6) 0.2963(7) 0.0848(3) 0.018(2) Uani 1 1 d . . . . .
C2 C 0.6686(7) 0.2215(7) 0.1042(4) 0.033(3) Uani 1 1 d . . . . .
H2 H 0.613750 0.209888 0.113785 0.040 Uiso 1 1 calc R U . . .
C3 C 0.7357(8) 0.1652(8) 0.1096(4) 0.039(3) Uani 1 1 d . . . . .
H3 H 0.727866 0.115191 0.123534 0.047 Uiso 1 1 calc R U . . .
C4 C 0.8160(7) 0.1797(7) 0.0950(4) 0.030(3) Uani 1 1 d . . . . .
H4 H 0.862667 0.139674 0.098770 0.036 Uiso 1 1 calc R U . . .
C5 C 0.8269(7) 0.2521(7) 0.0753(3) 0.030(3) Uani 1 1 d . . . . .
H5 H 0.881308 0.262289 0.065041 0.036 Uiso 1 1 calc R U . . .
C6 C 0.7589(7) 0.3108(6) 0.0700(3) 0.023(2) Uani 1 1 d . . . . .
H6 H 0.767100 0.361027 0.056286 0.027 Uiso 1 1 calc R U . . .
C11 C 0.5920(6) 0.4120(7) 0.0277(3) 0.018(2) Uani 1 1 d . . . . .
C12 C 0.5625(7) 0.3572(7) -0.0036(3) 0.024(3) Uani 1 1 d . . . . .
H12 H 0.540497 0.304367 0.002485 0.029 Uiso 1 1 calc R U . . .
C13 C 0.5651(7) 0.3794(8) -0.0440(3) 0.034(3) Uani 1 1 d . . . . .
H13 H 0.544026 0.342306 -0.065460 0.041 Uiso 1 1 calc R U . . .
C14 C 0.5985(7) 0.4558(8) -0.0523(4) 0.035(3) Uani 1 1 d . . . . .
H14 H 0.603086 0.470540 -0.079529 0.042 Uiso 1 1 calc R U . . .
C15 C 0.6252(7) 0.5108(8) -0.0211(4) 0.035(3) Uani 1 1 d . . . . .
H15 H 0.645529 0.564312 -0.027064 0.042 Uiso 1 1 calc R U . . .
C16 C 0.6225(7) 0.4888(7) 0.0183(3) 0.024(2) Uani 1 1 d . . . . .
H16 H 0.641907 0.526985 0.039562 0.029 Uiso 1 1 calc R U . . .
C17 C 0.6408(6) 0.4588(7) 0.1124(3) 0.020(2) Uani 1 1 d . . . . .
H17A H 0.688407 0.485654 0.099507 0.024 Uiso 1 1 calc R U . . .
H17B H 0.593541 0.500569 0.114001 0.024 Uiso 1 1 calc R U . . .
C18 C 0.6809(6) 0.4337(7) 0.1554(3) 0.020(2) Uani 1 1 d . . . . .
H18A H 0.721104 0.478810 0.167065 0.024 Uiso 1 1 calc R U . . .
H18B H 0.719090 0.384541 0.153381 0.024 Uiso 1 1 calc R U . . .
C21 C 0.5488(6) 0.5059(7) 0.1976(3) 0.021(2) Uani 1 1 d . . . . .
C22 C 0.4726(6) 0.5240(7) 0.1690(3) 0.022(2) Uani 1 1 d . . . . .
H22 H 0.450624 0.484229 0.148905 0.026 Uiso 1 1 calc R U . . .
C23 C 0.4297(7) 0.5984(7) 0.1697(3) 0.029(3) Uani 1 1 d . . . . .
H23 H 0.379943 0.611296 0.149532 0.035 Uiso 1 1 calc R U . . .
C24 C 0.4590(8) 0.6544(7) 0.2000(4) 0.033(3) Uani 1 1 d . . . . .
H24 H 0.427980 0.705238 0.201046 0.039 Uiso 1 1 calc R U . . .
C25 C 0.5330(7) 0.6378(7) 0.2289(3) 0.025(3) Uani 1 1 d . . . . .
H25 H 0.552843 0.676936 0.249615 0.030 Uiso 1 1 calc R U . . .
C26 C 0.5778(7) 0.5640(7) 0.2274(3) 0.023(2) Uani 1 1 d . . . . .
H26 H 0.629143 0.552624 0.247034 0.028 Uiso 1 1 calc R U . . .
C31 C 0.6815(7) 0.3933(6) 0.2392(3) 0.019(2) Uani 1 1 d . . . . .
C32 C 0.7713(7) 0.4124(8) 0.2445(3) 0.029(3) Uani 1 1 d . . . . .
H32 H 0.797244 0.435236 0.222668 0.035 Uiso 1 1 calc R U . . .
C33 C 0.8242(7) 0.3981(7) 0.2819(3) 0.028(3) Uani 1 1 d . . . . .
H33 H 0.886365 0.411050 0.285466 0.034 Uiso 1 1 calc R U . . .
C34 C 0.7883(8) 0.3657(7) 0.3136(3) 0.033(3) Uani 1 1 d . . . . .
H34 H 0.825426 0.355146 0.338857 0.039 Uiso 1 1 calc R U . . .
C35 C 0.6979(8) 0.3485(8) 0.3089(4) 0.038(3) Uani 1 1 d . . . . .
H35 H 0.671496 0.327971 0.330997 0.046 Uiso 1 1 calc R U . . .
C36 C 0.6463(7) 0.3613(8) 0.2715(3) 0.035(3) Uani 1 1 d . . . . .
H36 H 0.584319 0.347521 0.268018 0.042 Uiso 1 1 calc R U . . .
N1 N 0.3189(5) 0.3189(5) 0.0907(2) 0.0158(18) Uani 1 1 d . . . . .
O1 O 0.2984(5) 0.4450(5) 0.1213(2) 0.0257(17) Uani 1 1 d . . . . .
O2 O 0.1223(5) 0.3756(5) 0.1276(3) 0.033(2) Uani 1 1 d . . . . .
C37 C 0.2735(6) 0.3768(7) 0.1090(3) 0.019(2) Uani 1 1 d . . . . .
C38 C 0.1776(7) 0.3404(7) 0.1118(3) 0.024(2) Uani 1 1 d . . . . .
C39 C 0.1776(6) 0.2612(7) 0.0920(3) 0.022(2) Uani 1 1 d . . . . .
C40 C 0.1105(6) 0.2021(7) 0.0843(3) 0.025(2) Uani 1 1 d . . . . .
H40 H 0.054257 0.210102 0.093296 0.030 Uiso 1 1 calc R U . . .
C41 C 0.1265(7) 0.1323(7) 0.0634(3) 0.026(3) Uani 1 1 d . . . . .
C42 C 0.2101(7) 0.1218(7) 0.0508(3) 0.026(3) Uani 1 1 d . . . . .
H42 H 0.220283 0.073093 0.036320 0.031 Uiso 1 1 calc R U . . .
C43 C 0.2803(7) 0.1804(6) 0.0586(3) 0.021(2) Uani 1 1 d . . . . .
C44 C 0.2620(6) 0.2511(7) 0.0799(3) 0.020(2) Uani 1 1 d . . . . .
C45 C 0.0538(8) 0.0668(8) 0.0550(4) 0.040(3) Uani 1 1 d . . . . .
H45A H 0.046513 0.039070 0.080460 0.060 Uiso 1 1 calc R U . . .
H45B H 0.071097 0.026108 0.035802 0.060 Uiso 1 1 calc R U . . .
H45C H -0.002952 0.092846 0.043289 0.060 Uiso 1 1 calc R U . . .
C46 C 0.3666(7) 0.1652(7) 0.0432(3) 0.026(3) Uani 1 1 d . . . . .
H46A H 0.382096 0.213806 0.028168 0.040 Uiso 1 1 calc R U . . .
H46B H 0.360151 0.117103 0.025157 0.040 Uiso 1 1 calc R U . . .
H46C H 0.414221 0.154817 0.066202 0.040 Uiso 1 1 calc R U . . .
N2 N 0.4246(5) 0.2042(5) 0.1693(2) 0.0156(18) Uani 1 1 d . . . . .
O3 O 0.5202(5) 0.1175(5) 0.1404(2) 0.0273(18) Uani 1 1 d . . . . .
O4 O 0.3658(5) 0.0072(5) 0.1309(2) 0.0315(19) Uani 1 1 d . . . . .
C47 C 0.4479(6) 0.1339(6) 0.1513(3) 0.015(2) Uani 1 1 d . . . . .
C48 C 0.3670(7) 0.0748(7) 0.1464(3) 0.020(2) Uani 1 1 d . . . . .
C49 C 0.2982(6) 0.1182(6) 0.1645(3) 0.019(2) Uani 1 1 d . . . . .
C50 C 0.2115(7) 0.0965(7) 0.1693(3) 0.025(2) Uani 1 1 d . . . . .
H50 H 0.187224 0.044511 0.159983 0.030 Uiso 1 1 calc R U . . .
C51 C 0.1605(7) 0.1526(8) 0.1881(3) 0.029(3) Uani 1 1 d . . . . .
C52 C 0.1993(7) 0.2271(7) 0.2015(3) 0.027(3) Uani 1 1 d . . . . .
H52 H 0.164329 0.264197 0.214662 0.032 Uiso 1 1 calc R U . . .
C53 C 0.2857(7) 0.2516(7) 0.1971(3) 0.021(2) Uani 1 1 d . . . . .
C54 C 0.3349(6) 0.1960(7) 0.1780(3) 0.020(2) Uani 1 1 d . . . . .
C55 C 0.0639(8) 0.1302(9) 0.1940(5) 0.051(4) Uani 1 1 d . . . . .
H55A H 0.060178 0.127761 0.223064 0.076 Uiso 1 1 calc R U . . .
H55B H 0.047799 0.076257 0.181547 0.076 Uiso 1 1 calc R U . . .
H55C H 0.022238 0.172221 0.180981 0.076 Uiso 1 1 calc R U . . .
C56 C 0.3216(7) 0.3330(7) 0.2132(3) 0.025(2) Uani 1 1 d . . . . .
H56A H 0.376365 0.324405 0.232750 0.037 Uiso 1 1 calc R U . . .
H56B H 0.276554 0.360994 0.226644 0.037 Uiso 1 1 calc R U . . .
H56C H 0.335390 0.367208 0.190631 0.037 Uiso 1 1 calc R U . . .
Au3 Au 0.95836(2) 0.71753(3) 0.07513(2) 0.01841(10) Uani 1 1 d . . . . .
Au4 Au 0.98818(3) 0.70695(3) 0.16964(2) 0.02245(11) Uani 1 1 d . . . . .
P3 P 1.09984(16) 0.68706(17) 0.06800(8) 0.0190(6) Uani 1 1 d . . . . .
P4 P 1.07656(18) 0.59587(17) 0.17673(8) 0.0218(6) Uani 1 1 d . . . . .
C61 C 1.1701(6) 0.7732(7) 0.0567(3) 0.024(2) Uani 1 1 d . . . . .
C62 C 1.1599(7) 0.8488(7) 0.0756(3) 0.027(3) Uani 1 1 d . . . . .
H62 H 1.111321 0.857527 0.090203 0.032 Uiso 1 1 calc R U . . .
C63 C 1.2208(8) 0.9102(8) 0.0726(4) 0.038(3) Uani 1 1 d . . . . .
H63 H 1.215864 0.960962 0.086386 0.046 Uiso 1 1 calc R U . . .
C64 C 1.2898(8) 0.8995(8) 0.0498(4) 0.045(4) Uani 1 1 d . . . . .
H64 H 1.331742 0.942665 0.047983 0.054 Uiso 1 1 calc R U . . .
C65 C 1.2967(8) 0.8262(8) 0.0300(4) 0.047(4) Uani 1 1 d . . . . .
H65 H 1.341810 0.819756 0.013214 0.056 Uiso 1 1 calc R U . . .
C66 C 1.2392(7) 0.7617(8) 0.0341(4) 0.037(3) Uani 1 1 d . . . . .
H66 H 1.246690 0.709978 0.021621 0.044 Uiso 1 1 calc R U . . .
C71 C 1.1006(6) 0.6135(6) 0.0270(3) 0.017(2) Uani 1 1 d . . . . .
C72 C 1.0448(7) 0.6313(7) -0.0094(3) 0.023(2) Uani 1 1 d . . . . .
H72 H 1.008412 0.679463 -0.011777 0.028 Uiso 1 1 calc R U . . .
C73 C 1.0429(7) 0.5776(7) -0.0421(3) 0.028(3) Uani 1 1 d . . . . .
H73 H 1.005686 0.589596 -0.067158 0.033 Uiso 1 1 calc R U . . .
C74 C 1.0953(7) 0.5064(7) -0.0383(3) 0.029(3) Uani 1 1 d . . . . .
H74 H 1.094159 0.470341 -0.060932 0.035 Uiso 1 1 calc R U . . .
C75 C 1.1486(7) 0.4878(8) -0.0022(4) 0.034(3) Uani 1 1 d . . . . .
H75 H 1.182723 0.438260 0.000514 0.041 Uiso 1 1 calc R U . . .
C76 C 1.1525(7) 0.5422(7) 0.0307(3) 0.026(3) Uani 1 1 d . . . . .
H76 H 1.190494 0.530371 0.055538 0.031 Uiso 1 1 calc R U . . .
C77 C 1.1670(7) 0.6419(7) 0.1134(3) 0.024(2) Uani 1 1 d . . . . .
H77A H 1.225315 0.623423 0.106363 0.028 Uiso 1 1 calc R U . . .
H77B H 1.179300 0.685038 0.134543 0.028 Uiso 1 1 calc R U . . .
C78 C 1.1215(7) 0.5689(6) 0.1307(3) 0.022(2) Uani 1 1 d . . . . .
H78A H 1.165473 0.523497 0.136917 0.026 Uiso 1 1 calc R U . . .
H78B H 1.072005 0.548563 0.110044 0.026 Uiso 1 1 calc R U . . .
C81 C 1.1710(7) 0.6079(7) 0.2163(3) 0.029(3) Uani 1 1 d . . . . .
C82 C 1.2449(7) 0.5557(7) 0.2197(4) 0.032(3) Uani 1 1 d . . . . .
H82 H 1.247200 0.513913 0.199879 0.038 Uiso 1 1 calc R U . . .
C83 C 1.3148(8) 0.5636(8) 0.2512(4) 0.037(3) Uani 1 1 d . . . . .
H83 H 1.364670 0.527220 0.253027 0.045 Uiso 1 1 calc R U . . .
C84 C 1.3131(8) 0.6228(8) 0.2797(4) 0.038(3) Uani 1 1 d . . . . .
H84 H 1.360698 0.626786 0.301974 0.046 Uiso 1 1 calc R U . . .
C85 C 1.2416(8) 0.6779(8) 0.2765(4) 0.042(3) Uani 1 1 d . . . . .
H85 H 1.241083 0.721294 0.295599 0.050 Uiso 1 1 calc R U . . .
C86 C 1.1713(8) 0.6684(8) 0.2449(3) 0.037(3) Uani 1 1 d . . . . .
H86 H 1.121702 0.705107 0.243055 0.045 Uiso 1 1 calc R U . . .
C91 C 1.0230(6) 0.5004(7) 0.1874(3) 0.022(2) Uani 1 1 d . . . . .
C92 C 1.0518(8) 0.4502(7) 0.2210(3) 0.031(3) Uani 1 1 d . . . . .
H92 H 1.098434 0.469167 0.241384 0.037 Uiso 1 1 calc R U . . .
C93 C 1.0136(7) 0.3734(8) 0.2253(4) 0.034(3) Uani 1 1 d . . . . .
H93 H 1.032506 0.340548 0.248676 0.040 Uiso 1 1 calc R U . . .
C94 C 0.9482(8) 0.3458(8) 0.1951(4) 0.039(3) Uani 1 1 d . . . . .
H94 H 0.924111 0.291994 0.196980 0.046 Uiso 1 1 calc R U . . .
C95 C 0.9164(7) 0.3948(8) 0.1620(4) 0.035(3) Uani 1 1 d . . . . .
H95 H 0.870163 0.374964 0.141623 0.041 Uiso 1 1 calc R U . . .
C96 C 0.9518(7) 0.4720(7) 0.1586(3) 0.028(3) Uani 1 1 d . . . . .
H96 H 0.927848 0.506564 0.136487 0.034 Uiso 1 1 calc R U . . .
N3 N 0.8242(5) 0.7352(6) 0.0761(3) 0.022(2) Uani 1 1 d . . . . .
O5 O 0.7982(5) 0.6016(5) 0.0968(2) 0.0302(19) Uani 1 1 d . . . . .
O6 O 0.6170(5) 0.6665(5) 0.0989(3) 0.038(2) Uani 1 1 d . . . . .
C97 C 0.7745(7) 0.6727(7) 0.0883(3) 0.025(3) Uani 1 1 d . . . . .
C98 C 0.6779(7) 0.7070(7) 0.0892(3) 0.026(3) Uani 1 1 d . . . . .
C99 C 0.6817(6) 0.7936(7) 0.0768(3) 0.022(2) Uani 1 1 d . . . . .
C100 C 0.6170(7) 0.8548(7) 0.0725(3) 0.028(3) Uani 1 1 d . . . . .
H100 H 0.557735 0.843328 0.077367 0.034 Uiso 1 1 calc R U . . .
C101 C 0.6404(7) 0.9334(7) 0.0610(3) 0.027(3) Uani 1 1 d . . . . .
C102 C 0.7272(7) 0.9461(7) 0.0535(3) 0.025(3) Uani 1 1 d . . . . .
H102 H 0.742253 0.999673 0.045138 0.030 Uiso 1 1 calc R U . . .
C103 C 0.7946(6) 0.8855(6) 0.0574(3) 0.019(2) Uani 1 1 d . . . . .
C104 C 0.7691(6) 0.8080(6) 0.0695(3) 0.019(2) Uani 1 1 d . . . . .
C105 C 0.5723(8) 1.0023(8) 0.0568(4) 0.038(3) Uani 1 1 d . . . . .
H10A H 0.515060 0.982048 0.042097 0.057 Uiso 1 1 calc R U . . .
H10B H 0.593810 1.048201 0.041704 0.057 Uiso 1 1 calc R U . . .
H10C H 0.563656 1.021369 0.083859 0.057 Uiso 1 1 calc R U . . .
C106 C 0.8876(7) 0.9045(8) 0.0479(3) 0.031(3) Uani 1 1 d . . . . .
H10D H 0.930560 0.905692 0.073133 0.047 Uiso 1 1 calc R U . . .
H10E H 0.886986 0.958344 0.034386 0.047 Uiso 1 1 calc R U . . .
H10F H 0.905323 0.861701 0.029832 0.047 Uiso 1 1 calc R U . . .
N4 N 0.9109(5) 0.8120(5) 0.1668(2) 0.0198(19) Uani 1 1 d . . . . .
O7 O 1.0159(5) 0.8981(5) 0.1438(2) 0.0320(19) Uani 1 1 d . . . . .
O8 O 0.8753(5) 1.0210(5) 0.1443(3) 0.034(2) Uani 1 1 d . . . . .
C107 C 0.9434(6) 0.8845(7) 0.1539(3) 0.019(2) Uani 1 1 d . . . . .
C108 C 0.8681(7) 0.9501(7) 0.1530(3) 0.024(2) Uani 1 1 d . . . . .
C109 C 0.7918(7) 0.9039(6) 0.1639(3) 0.021(2) Uani 1 1 d . . . . .
C110 C 0.7038(7) 0.9267(7) 0.1652(3) 0.025(2) Uani 1 1 d . . . . .
H110 H 0.685083 0.982072 0.159491 0.030 Uiso 1 1 calc R U . . .
C111 C 0.6431(7) 0.8688(7) 0.1750(3) 0.026(3) Uani 1 1 d . . . . .
C112 C 0.6741(8) 0.7898(7) 0.1835(3) 0.033(3) Uani 1 1 d . . . . .
H112 H 0.632185 0.750388 0.190432 0.039 Uiso 1 1 calc R U . . .
C113 C 0.7616(7) 0.7627(7) 0.1829(3) 0.025(2) Uani 1 1 d . . . . .
C114 C 0.8209(7) 0.8222(6) 0.1724(3) 0.020(2) Uani 1 1 d . . . . .
C115 C 0.5472(7) 0.8924(8) 0.1758(4) 0.040(3) Uani 1 1 d . . . . .
H11A H 0.508426 0.844398 0.168630 0.060 Uiso 1 1 calc R U . . .
H11B H 0.529949 0.936847 0.156123 0.060 Uiso 1 1 calc R U . . .
H11C H 0.540509 0.911545 0.203090 0.060 Uiso 1 1 calc R U . . .
C116 C 0.7902(8) 0.6751(7) 0.1936(4) 0.036(3) Uani 1 1 d . . . . .
H11D H 0.839709 0.675456 0.216486 0.054 Uiso 1 1 calc R U . . .
H11E H 0.810125 0.648676 0.170081 0.054 Uiso 1 1 calc R U . . .
H11F H 0.739386 0.644314 0.201277 0.054 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 N1 2.065(7) . ?
Au1 P1 2.239(2) . ?
Au1 Au2 3.0058(5) . ?
Au2 N2 2.057(8) . ?
Au2 P2 2.241(3) . ?
P1 C1 1.811(10) . ?
P1 C11 1.816(10) . ?
P1 C17 1.838(11) . ?
P2 C21 1.801(11) . ?
P2 C31 1.821(10) . ?
P2 C18 1.827(10) . ?
C1 C2 1.391(15) . ?
C1 C6 1.392(13) . ?
C2 C3 1.353(15) . ?
C3 C4 1.391(14) . ?
C4 C5 1.367(15) . ?
C5 C6 1.389(14) . ?
C11 C16 1.379(14) . ?
C11 C12 1.388(14) . ?
C12 C13 1.399(14) . ?
C13 C14 1.379(17) . ?
C14 C15 1.381(17) . ?
C15 C16 1.366(15) . ?
C17 C18 1.522(14) . ?
C21 C26 1.389(14) . ?
C21 C22 1.405(14) . ?
C22 C23 1.370(15) . ?
C23 C24 1.377(15) . ?
C24 C25 1.383(15) . ?
C25 C26 1.377(15) . ?
C31 C36 1.372(14) . ?
C31 C32 1.373(14) . ?
C32 C33 1.392(15) . ?
C33 C34 1.362(15) . ?
C34 C35 1.376(15) . ?
C35 C36 1.376(15) . ?
N1 C37 1.358(12) . ?
N1 C44 1.406(12) . ?
O1 C37 1.217(12) . ?
O2 C38 1.196(12) . ?
C37 C38 1.576(13) . ?
C38 C39 1.442(15) . ?
C39 C40 1.387(14) . ?
C39 C44 1.401(13) . ?
C40 C41 1.368(15) . ?
C41 C42 1.398(14) . ?
C41 C45 1.520(14) . ?
C42 C43 1.414(14) . ?
C43 C44 1.396(14) . ?
C43 C46 1.490(13) . ?
N2 C47 1.359(12) . ?
N2 C54 1.432(12) . ?
O3 C47 1.228(11) . ?
O4 C48 1.211(12) . ?
C47 C48 1.538(14) . ?
C48 C49 1.457(14) . ?
C49 C50 1.386(13) . ?
C49 C54 1.419(14) . ?
C50 C51 1.399(15) . ?
C51 C52 1.384(16) . ?
C51 C55 1.542(14) . ?
C52 C53 1.390(14) . ?
C53 C54 1.383(14) . ?
C53 C56 1.493(15) . ?
Au3 N3 2.048(8) . ?
Au3 P3 2.237(2) . ?
Au3 Au4 3.1136(6) . ?
Au4 N4 2.056(8) . ?
Au4 P4 2.229(3) . ?
P3 C71 1.812(10) . ?
P3 C61 1.824(11) . ?
P3 C77 1.836(11) . ?
P4 C81 1.795(12) . ?
P4 C91 1.804(11) . ?
P4 C78 1.820(10) . ?
C61 C66 1.388(14) . ?
C61 C62 1.396(15) . ?
C62 C63 1.367(15) . ?
C63 C64 1.390(15) . ?
C64 C65 1.370(17) . ?
C65 C66 1.378(16) . ?
C71 C76 1.390(14) . ?
C71 C72 1.394(14) . ?
C72 C73 1.391(14) . ?
C73 C74 1.393(16) . ?
C74 C75 1.374(16) . ?
C75 C76 1.399(15) . ?
C77 C78 1.525(14) . ?
C81 C86 1.366(16) . ?
C81 C82 1.389(15) . ?
C82 C83 1.374(16) . ?
C83 C84 1.352(17) . ?
C84 C85 1.390(17) . ?
C85 C86 1.380(16) . ?
C91 C92 1.397(15) . ?
C91 C96 1.402(15) . ?
C92 C93 1.387(16) . ?
C93 C94 1.370(17) . ?
C94 C95 1.382(17) . ?
C95 C96 1.371(16) . ?
N3 C97 1.358(13) . ?
N3 C104 1.438(13) . ?
O5 C97 1.224(13) . ?
O6 C98 1.211(12) . ?
C97 C98 1.563(14) . ?
C98 C99 1.466(15) . ?
C99 C100 1.382(14) . ?
C99 C104 1.395(13) . ?
C100 C101 1.392(16) . ?
C101 C102 1.382(14) . ?
C101 C105 1.508(15) . ?
C102 C103 1.404(14) . ?
C103 C104 1.389(14) . ?
C103 C106 1.516(13) . ?
N4 C107 1.367(13) . ?
N4 C114 1.407(12) . ?
O7 C107 1.211(11) . ?
O8 C108 1.193(12) . ?
C107 C108 1.552(13) . ?
C108 C109 1.463(14) . ?
C109 C110 1.385(14) . ?
C109 C114 1.408(14) . ?
C110 C111 1.383(15) . ?
C111 C112 1.376(15) . ?
C111 C115 1.500(14) . ?
C112 C113 1.394(15) . ?
C113 C114 1.395(14) . ?
C113 C116 1.509(15) . ?

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
N1 Au1 P1 170.5(2) . . ?
N1 Au1 Au2 93.8(2) . . ?
P1 Au1 Au2 93.11(7) . . ?
N2 Au2 P2 175.1(2) . . ?
N2 Au2 Au1 86.2(2) . . ?
P2 Au2 Au1 98.66(7) . . ?
C1 P1 C11 103.1(4) . . ?
C1 P1 C17 103.9(5) . . ?
C11 P1 C17 105.1(5) . . ?
C1 P1 Au1 118.0(3) . . ?
C11 P1 Au1 110.8(3) . . ?
C17 P1 Au1 114.5(3) . . ?
C21 P2 C31 106.2(5) . . ?
C21 P2 C18 104.0(5) . . ?
C31 P2 C18 103.5(5) . . ?
C21 P2 Au2 112.7(3) . . ?
C31 P2 Au2 111.8(3) . . ?
C18 P2 Au2 117.6(4) . . ?
C2 C1 C6 118.4(9) . . ?
C2 C1 P1 121.8(7) . . ?
C6 C1 P1 119.8(8) . . ?
C3 C2 C1 120.9(10) . . ?
C2 C3 C4 120.9(11) . . ?
C5 C4 C3 119.2(10) . . ?
C4 C5 C6 120.5(9) . . ?
C5 C6 C1 120.2(9) . . ?
C16 C11 C12 119.2(10) . . ?
C16 C11 P1 124.3(8) . . ?
C12 C11 P1 116.5(8) . . ?
C11 C12 C13 120.2(11) . . ?
C14 C13 C12 119.3(11) . . ?
C13 C14 C15 120.0(11) . . ?
C16 C15 C14 120.4(12) . . ?
C15 C16 C11 120.8(11) . . ?
C18 C17 P1 115.6(7) . . ?
C17 C18 P2 119.0(7) . . ?
C26 C21 C22 118.5(10) . . ?
C26 C21 P2 124.0(8) . . ?
C22 C21 P2 117.4(8) . . ?
C23 C22 C21 120.7(10) . . ?
C22 C23 C24 119.6(10) . . ?
C23 C24 C25 121.0(11) . . ?
C26 C25 C24 119.4(10) . . ?
C25 C26 C21 120.7(10) . . ?
C36 C31 C32 118.6(10) . . ?
C36 C31 P2 117.8(8) . . ?
C32 C31 P2 123.6(8) . . ?
C31 C32 C33 119.5(10) . . ?
C34 C33 C32 121.2(10) . . ?
C33 C34 C35 119.5(11) . . ?
C34 C35 C36 119.1(11) . . ?
C31 C36 C35 122.1(10) . . ?
C37 N1 C44 109.0(8) . . ?
C37 N1 Au1 119.1(6) . . ?
C44 N1 Au1 131.7(6) . . ?
O1 C37 N1 128.8(9) . . ?
O1 C37 C38 123.9(9) . . ?
N1 C37 C38 107.3(9) . . ?
O2 C38 C39 132.3(10) . . ?
O2 C38 C37 123.7(10) . . ?
C39 C38 C37 104.0(8) . . ?
C40 C39 C44 122.3(10) . . ?
C40 C39 C38 130.3(9) . . ?
C44 C39 C38 107.4(9) . . ?
C41 C40 C39 118.9(9) . . ?
C40 C41 C42 119.4(10) . . ?
C40 C41 C45 119.5(9) . . ?
C42 C41 C45 121.2(10) . . ?
C41 C42 C43 123.1(10) . . ?
C44 C43 C42 116.2(9) . . ?
C44 C43 C46 124.2(9) . . ?
C42 C43 C46 119.6(9) . . ?
C43 C44 C39 120.1(10) . . ?
C43 C44 N1 127.6(9) . . ?
C39 C44 N1 112.3(9) . . ?
C47 N2 C54 109.1(8) . . ?
C47 N2 Au2 121.0(6) . . ?
C54 N2 Au2 129.7(7) . . ?
O3 C47 N2 127.8(9) . . ?
O3 C47 C48 124.0(9) . . ?
N2 C47 C48 108.2(8) . . ?
O4 C48 C49 130.4(10) . . ?
O4 C48 C47 124.5(9) . . ?
C49 C48 C47 105.1(8) . . ?
C50 C49 C54 121.2(10) . . ?
C50 C49 C48 131.9(10) . . ?
C54 C49 C48 106.9(8) . . ?
C49 C50 C51 118.6(10) . . ?
C52 C51 C50 118.5(9) . . ?
C52 C51 C55 121.7(10) . . ?
C50 C51 C55 119.9(11) . . ?
C51 C52 C53 124.8(10) . . ?
C54 C53 C52 116.1(10) . . ?
C54 C53 C56 123.3(9) . . ?
C52 C53 C56 120.6(9) . . ?
C53 C54 C49 120.8(9) . . ?
C53 C54 N2 128.5(10) . . ?
C49 C54 N2 110.7(9) . . ?
N3 Au3 P3 173.0(3) . . ?
N3 Au3 Au4 88.9(2) . . ?
P3 Au3 Au4 95.94(7) . . ?
N4 Au4 P4 176.2(2) . . ?
N4 Au4 Au3 85.2(2) . . ?
P4 Au4 Au3 98.18(7) . . ?
C71 P3 C61 106.0(5) . . ?
C71 P3 C77 106.9(5) . . ?
C61 P3 C77 102.1(5) . . ?
C71 P3 Au3 110.0(3) . . ?
C61 P3 Au3 116.5(3) . . ?
C77 P3 Au3 114.5(3) . . ?
C81 P4 C91 106.1(5) . . ?
C81 P4 C78 106.7(5) . . ?
C91 P4 C78 101.2(5) . . ?
C81 P4 Au4 112.6(4) . . ?
C91 P4 Au4 115.7(3) . . ?
C78 P4 Au4 113.5(4) . . ?
C66 C61 C62 120.3(10) . . ?
C66 C61 P3 121.1(9) . . ?
C62 C61 P3 118.1(7) . . ?
C63 C62 C61 118.9(10) . . ?
C62 C63 C64 121.1(11) . . ?
C65 C64 C63 119.3(11) . . ?
C64 C65 C66 120.9(11) . . ?
C65 C66 C61 119.3(11) . . ?
C76 C71 C72 120.3(10) . . ?
C76 C71 P3 123.2(8) . . ?
C72 C71 P3 116.5(8) . . ?
C73 C72 C71 119.3(10) . . ?
C72 C73 C74 120.2(11) . . ?
C75 C74 C73 120.5(10) . . ?
C74 C75 C76 119.8(11) . . ?
C71 C76 C75 119.9(11) . . ?
C78 C77 P3 113.5(7) . . ?
C77 C78 P4 112.3(7) . . ?
C86 C81 C82 117.5(11) . . ?
C86 C81 P4 120.5(9) . . ?
C82 C81 P4 122.0(9) . . ?
C83 C82 C81 121.1(12) . . ?
C84 C83 C82 120.5(12) . . ?
C83 C84 C85 119.8(11) . . ?
C86 C85 C84 118.9(12) . . ?
C81 C86 C85 122.0(11) . . ?
C92 C91 C96 117.9(10) . . ?
C92 C91 P4 124.2(9) . . ?
C96 C91 P4 117.8(8) . . ?
C93 C92 C91 121.4(11) . . ?
C94 C93 C92 118.7(12) . . ?
C93 C94 C95 121.3(12) . . ?
C96 C95 C94 119.8(12) . . ?
C95 C96 C91 120.6(11) . . ?
C97 N3 C104 109.0(8) . . ?
C97 N3 Au3 119.4(7) . . ?
C104 N3 Au3 131.3(7) . . ?
O5 C97 N3 127.9(10) . . ?
O5 C97 C98 124.7(10) . . ?
N3 C97 C98 107.4(9) . . ?
O6 C98 C99 131.1(10) . . ?
O6 C98 C97 123.9(10) . . ?
C99 C98 C97 104.9(8) . . ?
C100 C99 C104 122.3(10) . . ?
C100 C99 C98 131.0(9) . . ?
C104 C99 C98 106.7(9) . . ?
C99 C100 C101 118.6(10) . . ?
C102 C101 C100 118.2(10) . . ?
C102 C101 C105 121.6(11) . . ?
C100 C101 C105 120.2(10) . . ?
C101 C102 C103 124.8(11) . . ?
C104 C103 C102 115.5(9) . . ?
C104 C103 C106 123.3(9) . . ?
C102 C103 C106 121.2(10) . . ?
C103 C104 C99 120.7(9) . . ?
C103 C104 N3 127.3(8) . . ?
C99 C104 N3 112.0(9) . . ?
C107 N4 C114 109.9(8) . . ?
C107 N4 Au4 119.8(6) . . ?
C114 N4 Au4 129.9(7) . . ?
O7 C107 N4 128.8(9) . . ?
O7 C107 C108 124.0(10) . . ?
N4 C107 C108 107.2(8) . . ?
O8 C108 C109 131.1(10) . . ?
O8 C108 C107 124.7(10) . . ?
C109 C108 C107 104.2(9) . . ?
C110 C109 C114 120.9(10) . . ?
C110 C109 C108 131.6(10) . . ?
C114 C109 C108 107.4(9) . . ?
C111 C110 C109 119.8(10) . . ?
C112 C111 C110 117.7(10) . . ?
C112 C111 C115 122.1(10) . . ?
C110 C111 C115 120.3(10) . . ?
C111 C112 C113 125.5(11) . . ?
C112 C113 C114 115.5(10) . . ?
C112 C113 C116 121.9(10) . . ?
C114 C113 C116 122.6(9) . . ?
C113 C114 N4 128.3(9) . . ?
C113 C114 C109 120.5(9) . . ?
N4 C114 C109 111.1(9) . . ?

_refine_diff_density_max         2.391
_refine_diff_density_min         -1.968
_refine_diff_density_rms         0.214

