# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 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_Complex_9
_database_code_depnum_ccdc_archive 'CCDC 1054718'
_audit_update_record             
;
2015-03-17 deposited with the CCDC.	2019-08-08 downloaded from the CCDC.
;
_audit_creation_date             2014-07-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.07.22 svn.r2960 for OlexSys, GUI svn.r4862)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C50 H48 Au2 O2 P2, 4(C H2 Cl2)'
_chemical_formula_sum            'C54 H56 Au2 Cl8 O2 P2'
_chemical_formula_weight         1476.46
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C40 H48 Au2 O2 P2'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_H-M_alt        'P 1 2/n 1'
_space_group_name_Hall           '-P 2yac'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y, -z+1/2'
3 '-x, -y, -z'
4 'x-1/2, -y, z-1/2'

_cell_length_a                   14.9682(8)
_cell_length_b                   9.1406(4)
_cell_length_c                   20.6675(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.371(5)
_cell_angle_gamma                90.00
_cell_volume                     2804.3(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7875
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.1890
_cell_measurement_theta_min      3.5760
_exptl_absorpt_coefficient_mu    5.703
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.57267
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'translucent colorless'
_exptl_crystal_density_diffrn    1.749
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       lamina
_exptl_crystal_F_000             1440
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.09
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0483
_diffrn_reflns_av_unetI/netI     0.0451
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            20807
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.74
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.2096
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -14.00   19.00   1.0000   40.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.0339  -99.0000  150.0000 33

#__ type_ start__ end____ width___ exp.time_
  2 omega  -91.00   19.00   1.0000   40.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.0339    0.0000   30.0000 110

#__ type_ start__ end____ width___ exp.time_
  3 omega  -89.00  -60.00   1.0000   40.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.0339 -178.0000 -150.0000 29

#__ type_ start__ end____ width___ exp.time_
  4 omega  -95.00  -39.00   1.0000   40.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.0339  178.0000   30.0000 56

#__ type_ start__ end____ width___ exp.time_
  5 omega  -35.00   52.00   1.0000   40.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.0339   77.0000   30.0000 87

#__ type_ start__ end____ width___ exp.time_
  6 omega   13.00   82.00   1.0000   40.0000
omega____ theta____ kappa____ phi______ frames
    -       18.9714   38.0000 -150.0000 69
;
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0306935000
_diffrn_orient_matrix_UB_12      -0.0117130000
_diffrn_orient_matrix_UB_13      0.0286293000
_diffrn_orient_matrix_UB_21      0.0359147000
_diffrn_orient_matrix_UB_22      0.0251241000
_diffrn_orient_matrix_UB_23      -0.0164023000
_diffrn_orient_matrix_UB_31      -0.0074475000
_diffrn_orient_matrix_UB_32      0.0725051000
_diffrn_orient_matrix_UB_33      0.0102972000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                5544
_reflns_number_total             6316
_reflns_odcompleteness_completeness 99.82
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         1.030
_refine_diff_density_min         -1.183
_refine_diff_density_rms         0.143
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         6316
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0373
_refine_ls_R_factor_gt           0.0299
_refine_ls_restrained_S_all      1.065
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0353P)²+0.1249P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0694
_refine_ls_wR_factor_ref         0.0742
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H) groups
2. Others
 Fixed Sof: Cl3(0.5) Cl4(0.5) C5(0.5) H5A(0.5) H5B(0.5) C7(0.5) H7A(0.5)
 H7B(0.5) Cl6(0.5) Cl5(0.5)
3.a Secondary CH2 refined with riding coordinates:
 C12(H12A,H12B), C15(H15A,H15B), C1C(H1CA,H1CB), C1D(H1DA,H1DB), C1E(H1EA,
 H1EB), C1F(H1FA,H1FB), C5(H5A,H5B), C7(H7A,H7B)
3.b Aromatic/amide H refined with riding coordinates:
 C9(H9), C3(H3), C6(H6), C8(H8), C14(H14), C16(H16), C17(H17), C19(H19),
 C20(H20), C21(H21), C22(H22), C23(H23), C4(H4)
3.c Idealised tetrahedral OH refined as rotating group:
 O5(H5)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
Au1 Au 0.218956(10) 0.693284(13) 0.534724(6) 0.02023(6) Uani 1 d . . .
P1 P 0.31547(6) 0.56208(9) 0.60684(4) 0.01572(18) Uani 1 d . . .
O1 O 0.0360(2) 1.1523(3) 0.44655(14) 0.0317(7) Uani 1 d . . .
H5 H -0.0070 1.1391 0.4667 0.048 Uiso 1 calc . . GR
C1 C 0.2816(2) 0.5646(3) 0.68851(16) 0.0155(7) Uani 1 d . . .
C2 C 0.2665(3) 0.7032(3) 0.71920(17) 0.0180(8) Uani 1 d . . .
C3 C 0.2842(3) 0.8386(4) 0.69047(18) 0.0243(8) Uani 1 d . . .
H21 H 0.3079 0.8402 0.6510 0.029 Uiso 1 calc . . R
C4 C 0.2668(3) 0.9679(4) 0.72026(17) 0.0315(10) Uani 1 d . . .
H23 H 0.2775 1.0563 0.7003 0.038 Uiso 1 calc . . R
C5 C 0.2658(2) 0.4376(3) 0.71912(15) 0.0150(7) Uani 1 d . . .
H14 H 0.2758 0.3490 0.6992 0.018 Uiso 1 calc . . R
C6 C 0.4309(3) 0.6279(4) 0.61691(17) 0.0217(8) Uani 1 d . . .
C7 C 0.4685(3) 0.6693(5) 0.5610(2) 0.0362(10) Uani 1 d . . .
H19 H 0.4337 0.6661 0.5204 0.043 Uiso 1 calc . . R
C8 C 0.5562(4) 0.7143(6) 0.5659(2) 0.0562(16) Uani 1 d . . .
H22 H 0.5812 0.7403 0.5286 0.067 Uiso 1 calc . . R
C9 C 0.6084(4) 0.7213(6) 0.6270(3) 0.0578(16) Uani 1 d . . .
H4 H 0.6680 0.7527 0.6303 0.069 Uiso 1 calc . . R
C10 C 0.5725(3) 0.6824(5) 0.6816(2) 0.0488(14) Uani 1 d . . .
H6 H 0.6074 0.6874 0.7221 0.059 Uiso 1 calc . . R
C11 C 0.4835(3) 0.6350(5) 0.67708(19) 0.0313(9) Uani 1 d . . .
H3 H 0.4593 0.6080 0.7146 0.038 Uiso 1 calc . . R
C12 C 0.3220(2) 0.3695(4) 0.58683(16) 0.0150(7) Uani 1 d . . .
C13 C 0.2504(3) 0.3057(4) 0.54661(18) 0.0205(8) Uani 1 d . . .
H9 H 0.2013 0.3625 0.5298 0.025 Uiso 1 calc . . R
C14 C 0.2522(3) 0.1591(4) 0.53188(18) 0.0261(8) Uani 1 d . . .
H16 H 0.2038 0.1167 0.5058 0.031 Uiso 1 calc . . R
C15 C 0.3253(3) 0.0749(4) 0.55556(17) 0.0228(8) Uani 1 d . . .
H20 H 0.3267 -0.0237 0.5446 0.027 Uiso 1 calc . . R
C16 C 0.3968(3) 0.1358(4) 0.59562(18) 0.0234(8) Uani 1 d . . .
H8 H 0.4457 0.0780 0.6121 0.028 Uiso 1 calc . . R
C17 C 0.3955(2) 0.2827(4) 0.61110(17) 0.0194(7) Uani 1 d . . .
H17 H 0.4436 0.3240 0.6378 0.023 Uiso 1 calc . . R
C18 C 0.1363(3) 0.8202(4) 0.47420(19) 0.0270(9) Uani 1 d . . .
C19 C 0.0931(3) 0.9101(4) 0.44181(18) 0.0284(9) Uani 1 d . . .
C20 C 0.0440(3) 1.0303(4) 0.4033(2) 0.0369(11) Uani 1 d . . .
C21 C 0.0972(4) 1.0859(4) 0.3511(2) 0.0439(13) Uani 1 d . . .
H12A H 0.1572 1.1129 0.3709 0.053 Uiso 1 calc . . R
H12B H 0.0684 1.1729 0.3314 0.053 Uiso 1 calc . . R
C22 C 0.1045(5) 0.9717(5) 0.2984(2) 0.068(2) Uani 1 d . . .
H1DA H 0.1367 1.0128 0.2648 0.081 Uiso 1 calc . . R
H1DB H 0.1384 0.8881 0.3172 0.081 Uiso 1 calc . . R
C23 C 0.0117(6) 0.9222(6) 0.2682(3) 0.093(3) Uani 1 d . . .
H1FA H -0.0200 1.0039 0.2458 0.111 Uiso 1 calc . . R
H1FB H 0.0178 0.8462 0.2363 0.111 Uiso 1 calc . . R
C24 C -0.0418(5) 0.8648(5) 0.3195(3) 0.080(3) Uani 1 d . . .
H1EA H -0.0129 0.7777 0.3392 0.096 Uiso 1 calc . . R
H1EB H -0.1017 0.8378 0.2993 0.096 Uiso 1 calc . . R
C25 C -0.0494(4) 0.9799(5) 0.3727(3) 0.0564(17) Uani 1 d . . .
H1CA H -0.0834 1.0632 0.3538 0.068 Uiso 1 calc . . R
H1CB H -0.0816 0.9385 0.4062 0.068 Uiso 1 calc . . R
Cl3A Cl 0.6345(3) 0.1240(4) 0.5988(3) 0.0508(9) Uani 0.50 d A 1 .
Cl4A Cl 0.67999(19) 0.3226(2) 0.70771(11) 0.0466(6) Uani 0.50 d A 1 .
C27A C 0.6821(7) 0.2921(11) 0.6231(5) 0.031(2) Uani 0.50 d A 1 .
H5A H 0.6491 0.3696 0.5984 0.037 Uiso 0.50 calc A 1 R
H5B H 0.7439 0.2949 0.6137 0.037 Uiso 0.50 calc A 1 R
Cl3B Cl 0.6456(3) 0.0599(3) 0.6015(2) 0.0482(9) Uani 0.50 d B 2 .
Cl4B Cl 0.63581(17) 0.3723(3) 0.62625(16) 0.0554(7) Uani 0.50 d B 2 .
C27B C 0.7034(6) 0.2145(11) 0.6336(5) 0.030(2) Uani 0.50 d B 2 .
H7A H 0.7556 0.2301 0.6111 0.037 Uiso 0.50 calc B 2 R
H7B H 0.7247 0.1977 0.6794 0.037 Uiso 0.50 calc B 2 R
Cl1 Cl 0.86961(10) 0.50469(14) 0.64841(9) 0.0691(5) Uani 1 d . . .
Cl2 Cl 1.06039(8) 0.53312(13) 0.63876(6) 0.0483(3) Uani 1 d . . .
C26 C 0.9520(3) 0.5184(4) 0.5952(2) 0.0332(10) Uani 1 d . . .
H15A H 0.9492 0.4326 0.5674 0.040 Uiso 1 calc . . R
H15B H 0.9398 0.6036 0.5675 0.040 Uiso 1 calc . . R


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 P1 2.2791(8) . ?
Au1 C18 2.011(4) . ?
P1 C1 1.824(3) . ?
P1 C6 1.815(4) . ?
P1 C12 1.814(3) . ?
O1 C20 1.444(5) . ?
C2 C1 1.448(4) . ?
C2 C2 1.423(7) 2_556 ?
C2 C3 1.412(5) . ?
C3 C4 1.373(5) . ?
C4 C4 1.386(8) 2_556 ?
C5 C1 1.357(5) . ?
C5 C5 1.417(6) 2_556 ?
C7 C6 1.401(5) . ?
C7 C8 1.367(7) . ?
C8 C9 1.400(7) . ?
C10 C9 1.358(7) . ?
C11 C6 1.386(5) . ?
C11 C10 1.392(6) . ?
C13 C12 1.398(5) . ?
C13 C14 1.375(5) . ?
C14 C15 1.376(5) . ?
C16 C15 1.384(5) . ?
C16 C17 1.381(5) . ?
C17 C12 1.395(5) . ?
C18 C19 1.196(5) . ?
C20 C19 1.494(5) . ?
C20 C21 1.509(7) . ?
C20 C25 1.530(6) . ?
C21 C22 1.524(6) . ?
C22 C23 1.517(8) . ?
C24 C23 1.504(10) . ?
C25 C24 1.536(8) . ?
Cl4A C27A 1.775(9) . ?
C27A Cl3A 1.741(10) . ?
Cl4B C27B 1.757(10) . ?
C27B Cl3B 1.743(10) . ?
Cl1 C26 1.759(5) . ?
Cl2 C26 1.756(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C18 Au1 P1 176.47(10) . . ?
C1 P1 Au1 111.74(11) . . ?
C6 P1 Au1 114.49(12) . . ?
C6 P1 C1 105.25(16) . . ?
C12 P1 Au1 114.20(11) . . ?
C12 P1 C1 104.65(15) . . ?
C12 P1 C6 105.61(16) . . ?
C2 C1 P1 119.6(2) . . ?
C5 C1 P1 120.4(2) . . ?
C5 C1 C2 119.9(3) . . ?
C2 C2 C1 118.9(2) 2_556 . ?
C3 C2 C1 122.3(3) . . ?
C3 C2 C2 118.8(2) . 2_556 ?
C4 C3 C2 120.6(4) . . ?
C3 C4 C4 120.6(2) . 2_556 ?
C1 C5 C5 121.2(2) . 2_556 ?
C7 C6 P1 118.2(3) . . ?
C11 C6 P1 122.8(3) . . ?
C11 C6 C7 119.0(4) . . ?
C8 C7 C6 120.3(4) . . ?
C7 C8 C9 120.0(4) . . ?
C10 C9 C8 120.2(5) . . ?
C9 C10 C11 120.3(4) . . ?
C6 C11 C10 120.2(4) . . ?
C13 C12 P1 118.7(3) . . ?
C17 C12 P1 122.2(3) . . ?
C17 C12 C13 119.0(3) . . ?
C14 C13 C12 120.2(3) . . ?
C13 C14 C15 120.2(3) . . ?
C14 C15 C16 120.5(3) . . ?
C17 C16 C15 119.8(3) . . ?
C16 C17 C12 120.3(3) . . ?
C19 C18 Au1 171.8(3) . . ?
C18 C19 C20 176.0(4) . . ?
O1 C20 C19 108.2(3) . . ?
O1 C20 C21 106.0(3) . . ?
O1 C20 C25 110.2(4) . . ?
C19 C20 C21 111.1(4) . . ?
C19 C20 C25 111.1(3) . . ?
C21 C20 C25 110.2(4) . . ?
C20 C21 C22 111.9(4) . . ?
C23 C22 C21 110.7(5) . . ?
C24 C23 C22 110.9(4) . . ?
C23 C24 C25 111.1(4) . . ?
C20 C25 C24 110.8(5) . . ?
Cl3A C27A Cl4A 111.4(6) . . ?
Cl3B C27B Cl4B 112.4(5) . . ?
Cl2 C26 Cl1 111.1(2) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 P1 C1 C2 -53.7(3) . . . . ?
Au1 P1 C1 C5 122.7(3) . . . . ?
Au1 P1 C6 C7 -42.8(4) . . . . ?
Au1 P1 C6 C11 139.0(3) . . . . ?
Au1 P1 C12 C13 -22.3(3) . . . . ?
Au1 P1 C12 C17 158.8(3) . . . . ?
Au1 C18 C19 C20 9(9) . . . . ?
P1 Au1 C18 C19 13(5) . . . . ?
O1 C20 C19 C18 -47(7) . . . . ?
O1 C20 C21 C22 -175.3(4) . . . . ?
O1 C20 C25 C24 172.1(4) . . . . ?
C1 P1 C6 C7 -165.8(3) . . . . ?
C1 P1 C6 C11 15.9(4) . . . . ?
C1 P1 C12 C13 100.2(3) . . . . ?
C1 P1 C12 C17 -78.7(3) . . . . ?
C1 C2 C3 C4 178.2(4) . . . . ?
C2 C2 C1 P1 175.3(4) 2_556 . . . ?
C2 C2 C1 C5 -1.1(6) 2_556 . . . ?
C2 C2 C3 C4 -2.4(7) 2_556 . . . ?
C2 C3 C4 C4 1.4(8) . . . 2_556 ?
C3 C2 C1 P1 -5.4(5) . . . . ?
C3 C2 C1 C5 178.2(3) . . . . ?
C5 C5 C1 P1 -176.2(3) 2_556 . . . ?
C5 C5 C1 C2 0.2(6) 2_556 . . . ?
C6 P1 C1 C2 71.2(3) . . . . ?
C6 P1 C1 C5 -112.4(3) . . . . ?
C6 P1 C12 C13 -148.9(3) . . . . ?
C6 P1 C12 C17 32.1(3) . . . . ?
C6 C7 C8 C9 -0.9(8) . . . . ?
C6 C11 C10 C9 -0.3(8) . . . . ?
C7 C8 C9 C10 0.5(9) . . . . ?
C8 C7 C6 P1 -177.6(4) . . . . ?
C8 C7 C6 C11 0.8(7) . . . . ?
C10 C11 C6 P1 178.1(4) . . . . ?
C10 C11 C6 C7 -0.1(6) . . . . ?
C11 C10 C9 C8 0.2(9) . . . . ?
C12 P1 C1 C2 -177.7(3) . . . . ?
C12 P1 C1 C5 -1.3(3) . . . . ?
C12 P1 C6 C7 83.8(3) . . . . ?
C12 P1 C6 C11 -94.5(4) . . . . ?
C12 C13 C14 C15 -1.3(6) . . . . ?
C13 C14 C15 C16 1.5(6) . . . . ?
C14 C13 C12 P1 -178.3(3) . . . . ?
C14 C13 C12 C17 0.6(5) . . . . ?
C15 C16 C17 C12 0.4(5) . . . . ?
C16 C17 C12 P1 178.7(3) . . . . ?
C16 C17 C12 C13 -0.2(5) . . . . ?
C17 C16 C15 C14 -1.0(6) . . . . ?
C18 Au1 P1 C1 66(2) . . . . ?
C18 Au1 P1 C6 -54(2) . . . . ?
C18 Au1 P1 C12 -176(2) . . . . ?
C19 C20 C21 C22 67.4(5) . . . . ?
C19 C20 C25 C24 -68.0(5) . . . . ?
C20 C21 C22 C23 56.6(5) . . . . ?
C20 C25 C24 C23 -56.4(5) . . . . ?
C21 C20 C19 C18 69(7) . . . . ?
C21 C20 C25 C24 55.5(5) . . . . ?
C21 C22 C23 C24 -56.3(6) . . . . ?
C25 C20 C19 C18 -168(7) . . . . ?
C25 C20 C21 C22 -56.1(5) . . . . ?
C25 C24 C23 C22 56.6(6) . . . . ?

_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_Complex_13
_database_code_depnum_ccdc_archive 'CCDC 1054720'
_audit_update_record             
;
2015-03-17 deposited with the CCDC.	2019-08-08 downloaded from the CCDC.
;
_audit_creation_date             2015-02-24
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C64 H48 Au2 O2 P2, 4(C H2 Cl2)'
_chemical_formula_sum            'C68 H56 Au2 Cl8 O2 P2'
_chemical_formula_weight         1644.60
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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                   9.1677(3)
_cell_length_b                   13.2137(4)
_cell_length_c                   14.0242(4)
_cell_angle_alpha                102.5430(10)
_cell_angle_beta                 98.0120(10)
_cell_angle_gamma                95.7660(10)
_cell_volume                     1627.06(9)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9413
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      36.52
_cell_measurement_theta_min      2.59
_shelx_estimated_absorpt_T_max   0.639
_shelx_estimated_absorpt_T_min   0.439
_exptl_absorpt_coefficient_mu    4.925
_exptl_absorpt_correction_T_max  0.5467
_exptl_absorpt_correction_T_min  0.0653
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2007'
_exptl_crystal_colour            white
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    1.678
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             804
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0237
_diffrn_reflns_av_unetI/netI     0.0112
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            94475
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.000
_diffrn_reflns_theta_min         1.920
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9066
_reflns_number_total             9467
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.084
_refine_diff_density_min         -0.778
_refine_diff_density_rms         0.078
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     416
_refine_ls_number_reflns         9467
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0177
_refine_ls_R_factor_gt           0.0163
_refine_ls_restrained_S_all      1.063
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0208P)²+1.4783P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0396
_refine_ls_wR_factor_ref         0.0401
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C36A) = Uanis(C37A) = Uanis(C38A)
Uanis(C39A) = Uanis(C35B) = Uanis(C37A) = Uanis(C36A) = Uanis(C38A) =
Uanis(C39B) = Uanis(C36B) = Uanis(C37B) = Uanis(C35A) = Uanis(C38A)
3. Others
 Fixed Sof: C35A(0.5) H35A(0.5) C35B(0.5) H35B(0.5) C36A(0.5) H36A(0.5)
 C36B(0.5) H36B(0.5) C37A(0.5) H37A(0.5) C37B(0.5) H37B(0.5) C38A(0.5)
 H38A(0.5) C38B(0.5) H38B(0.5) C39A(0.5) H39A(0.5) C39B(0.5) H39B(0.5)
 Cl2A(0.25) Cl2B(0.5) Cl2C(0.25) C41A(0.25) H41A(0.25) H41B(0.25) C41B(0.5)
 H41C(0.5) H41D(0.5) C41C(0.25) H41E(0.25) H41F(0.25) Cl4A(0.75) Cl4B(0.25)
 H40A(0.75) H40B(0.75) H40C(0.25) H40D(0.25)
4.a Secondary CH2 refined with riding coordinates:
 C41A(H41A,H41B), C41B(H41C,H41D), C41C(H41E,H41F), C40(H40A,H40B), C40(H40C,
 H40D)
4.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C5(H5), C17(H17), C18(H18), C19(H19), C20(H20), C21(H21),
 C23(H23), C24(H24), C25(H25), C26(H26), C27(H27), C29(H29), C30(H30), C31(H31),
  C32(H32), C33(H33), C35A(H35A), C35B(H35B), C36A(H36A), C36B(H36B),
 C37A(H37A), C37B(H37B), C38A(H38A), C38B(H38B), C39A(H39A), C39B(H39B)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.30674(2) 0.30090(2) 0.62403(2) 0.01367(2) Uani 1 1 d . . . . .
P1 P 0.19867(4) 0.28977(3) 0.75820(3) 0.01275(7) Uani 1 1 d . . . . .
O1 O 0.51708(15) 0.45425(10) 0.34056(10) 0.0204(2) Uani 1 1 d . . . . .
C1 C 0.31562(17) 0.36615(12) 0.87143(11) 0.0133(3) Uani 1 1 d . . . . .
C2 C 0.41312(18) 0.45079(12) 0.86674(11) 0.0136(3) Uani 1 1 d . . . . .
H2 H 0.4191 0.4675 0.8047 0.016 Uiso 1 1 calc R . . . .
C3 C 0.50449(17) 0.51299(12) 0.95376(11) 0.0126(3) Uani 1 1 d . . . . .
C4 C 0.60577(19) 0.60028(13) 0.95089(12) 0.0161(3) Uani 1 1 d . . . . .
H4 H 0.6126 0.6182 0.8895 0.019 Uiso 1 1 calc R . . . .
C5 C 0.69400(19) 0.65915(13) 1.03589(12) 0.0167(3) Uani 1 1 d . . . . .
H5 H 0.7619 0.7171 1.0328 0.020 Uiso 1 1 calc R . . . .
C11 C 0.40859(18) 0.31994(13) 0.51031(12) 0.0169(3) Uani 1 1 d . . . . .
C12 C 0.46933(18) 0.33613(13) 0.44344(12) 0.0168(3) Uani 1 1 d . . . . .
C15 C 0.54018(18) 0.35339(13) 0.35818(12) 0.0150(3) Uani 1 1 d . . . . .
C16 C 0.02191(19) 0.34022(15) 0.75847(13) 0.0192(3) Uani 1 1 d . . . . .
C17 C -0.0952(3) 0.2931(3) 0.68395(19) 0.0519(8) Uani 1 1 d . . . . .
H17 H -0.0845 0.2323 0.6364 0.062 Uiso 1 1 calc R . . . .
C18 C -0.2292(3) 0.3347(3) 0.6783(2) 0.0609(10) Uani 1 1 d . . . . .
H18 H -0.3093 0.3020 0.6267 0.073 Uiso 1 1 calc R . . . .
C19 C -0.2465(3) 0.4215(2) 0.7459(2) 0.0422(6) Uani 1 1 d . . . . .
H19 H -0.3380 0.4495 0.7412 0.051 Uiso 1 1 calc R . . . .
C20 C -0.1313(3) 0.4685(2) 0.8208(2) 0.0481(7) Uani 1 1 d . . . . .
H20 H -0.1434 0.5289 0.8684 0.058 Uiso 1 1 calc R . . . .
C21 C 0.0037(2) 0.42801(18) 0.82761(19) 0.0343(5) Uani 1 1 d . . . . .
H21 H 0.0831 0.4608 0.8797 0.041 Uiso 1 1 calc R . . . .
C22 C 0.16726(19) 0.15859(13) 0.77749(12) 0.0166(3) Uani 1 1 d . . . . .
C23 C 0.0498(2) 0.12453(15) 0.82034(16) 0.0263(4) Uani 1 1 d . . . . .
H23 H -0.0212 0.1697 0.8383 0.032 Uiso 1 1 calc R . . . .
C24 C 0.0359(3) 0.02407(17) 0.83699(19) 0.0349(5) Uani 1 1 d . . . . .
H24 H -0.0453 0.0008 0.8658 0.042 Uiso 1 1 calc R . . . .
C25 C 0.1385(3) -0.04123(17) 0.8121(2) 0.0402(5) Uani 1 1 d . . . . .
H25 H 0.1289 -0.1095 0.8240 0.048 Uiso 1 1 calc R . . . .
C26 C 0.2560(3) -0.0075(2) 0.7696(3) 0.0525(8) Uani 1 1 d . . . . .
H26 H 0.3275 -0.0526 0.7526 0.063 Uiso 1 1 calc R . . . .
C27 C 0.2700(3) 0.09203(18) 0.7516(2) 0.0370(5) Uani 1 1 d . . . . .
H27 H 0.3502 0.1145 0.7216 0.044 Uiso 1 1 calc R . . . .
C28 C 0.4588(2) 0.27592(13) 0.26320(12) 0.0171(3) Uani 1 1 d . . . . .
C29 C 0.3040(2) 0.26811(17) 0.24223(15) 0.0258(4) Uani 1 1 d . . . . .
H29 H 0.2521 0.3087 0.2873 0.031 Uiso 1 1 calc R . . . .
C30 C 0.2255(3) 0.20111(19) 0.15560(17) 0.0369(5) Uani 1 1 d . . . . .
H30 H 0.1203 0.1964 0.1416 0.044 Uiso 1 1 calc R . . . .
C31 C 0.3004(3) 0.14129(18) 0.08980(17) 0.0415(6) Uani 1 1 d . . . . .
H31 H 0.2468 0.0946 0.0313 0.050 Uiso 1 1 calc R . . . .
C32 C 0.4527(3) 0.14974(17) 0.10954(17) 0.0390(5) Uani 1 1 d . . . . .
H32 H 0.5040 0.1090 0.0642 0.047 Uiso 1 1 calc R . . . .
C33 C 0.5330(2) 0.21769(15) 0.19563(14) 0.0260(4) Uani 1 1 d . . . . .
H33 H 0.6385 0.2239 0.2078 0.031 Uiso 1 1 calc R . . . .
C34 C 0.70576(19) 0.34362(16) 0.37867(13) 0.0204(3) Uani 1 1 d . . . . .
C35A C 0.7619(6) 0.2677(5) 0.4172(5) 0.0279(4) Uani 0.5 1 d . . P A 1
H35A H 0.6967 0.2163 0.4341 0.033 Uiso 0.5 1 calc R . P A 1
C35B C 0.7387(6) 0.2470(5) 0.4058(5) 0.0279(4) Uani 0.5 1 d . . P A 2
H35B H 0.6609 0.1977 0.4133 0.033 Uiso 0.5 1 calc R . P A 2
C36A C 0.9156(5) 0.2639(4) 0.4325(4) 0.0279(4) Uani 0.5 1 d . . P A 1
H36A H 0.9530 0.2086 0.4574 0.033 Uiso 0.5 1 calc R . P A 1
C36B C 0.8864(5) 0.2277(4) 0.4205(4) 0.0279(4) Uani 0.5 1 d . . P A 2
H36B H 0.9092 0.1645 0.4371 0.033 Uiso 0.5 1 calc R . P A 2
C37A C 1.0123(5) 0.3393(4) 0.4118(4) 0.0279(4) Uani 0.5 1 d . . P A 1
H37A H 1.1163 0.3369 0.4240 0.033 Uiso 0.5 1 calc R . P A 1
C37B C 0.9996(5) 0.3008(4) 0.4107(4) 0.0279(4) Uani 0.5 1 d . . P A 2
H37B H 1.1000 0.2880 0.4217 0.033 Uiso 0.5 1 calc R . P A 2
C38A C 0.9595(7) 0.4177(5) 0.3737(5) 0.0279(4) Uani 0.5 1 d . . P A 1
H38A H 1.0273 0.4700 0.3603 0.033 Uiso 0.5 1 calc R . P A 1
C38B C 0.9671(7) 0.3906(5) 0.3856(5) 0.0387(14) Uani 0.5 1 d . . P A 2
H38B H 1.0456 0.4400 0.3790 0.046 Uiso 0.5 1 calc R . P A 2
C39A C 0.8046(7) 0.4219(6) 0.3540(4) 0.0279(4) Uani 0.5 1 d . . P A 1
H39A H 0.7672 0.4749 0.3253 0.033 Uiso 0.5 1 calc R . P A 1
C39B C 0.8190(7) 0.4123(6) 0.3690(4) 0.0279(4) Uani 0.5 1 d . . P A 2
H39B H 0.7991 0.4754 0.3510 0.033 Uiso 0.5 1 calc R . P A 2
Cl1 Cl 0.16586(9) 0.02585(7) 0.46448(8) 0.0662(2) Uani 1 1 d . . . . .
Cl2A Cl 0.3600(5) -0.0053(4) 0.3254(3) 0.0808(13) Uani 0.25 1 d . . P B 1
Cl2B Cl 0.4385(4) -0.0042(4) 0.3881(4) 0.1567(18) Uani 0.5 1 d . . P C 2
Cl2C Cl 0.3983(4) -0.0813(2) 0.3834(3) 0.0525(8) Uani 0.25 1 d . . P D 3
C41A C 0.244(2) 0.0733(19) 0.3778(18) 0.039(4) Uani 0.25 1 d . . P B 1
H41A H 0.2994 0.1436 0.4088 0.046 Uiso 0.25 1 calc R . P B 1
H41B H 0.1638 0.0811 0.3255 0.046 Uiso 0.25 1 calc R . P B 1
C41B C 0.2885(15) 0.0530(11) 0.3834(11) 0.047(4) Uani 0.5 1 d . . P C 2
H41C H 0.2334 0.0318 0.3147 0.057 Uiso 0.5 1 calc R . P C 2
H41D H 0.3189 0.1296 0.3986 0.057 Uiso 0.5 1 calc R . P C 2
C41C C 0.322(3) 0.032(2) 0.4013(19) 0.063(7) Uani 0.25 1 d . . P D 3
H41E H 0.2896 0.0477 0.3363 0.076 Uiso 0.25 1 calc R . P D 3
H41F H 0.3981 0.0901 0.4403 0.076 Uiso 0.25 1 calc R . P D 3
Cl3C Cl 0.15736(15) 0.69762(9) -0.04157(9) 0.0898(3) Uani 1 1 d . . . . .
Cl4A Cl 0.3224(3) 0.87879(15) 0.0972(2) 0.0698(7) Uani 0.75 1 d . . P E 1
Cl4B Cl 0.3433(9) 0.8477(6) 0.1189(6) 0.080(2) Uani 0.25 1 d . . P E 2
C40 C 0.3008(4) 0.7380(3) 0.0586(3) 0.0657(10) Uani 1 1 d . . . . .
H40A H 0.3942 0.7148 0.0395 0.079 Uiso 0.75 1 calc R . P E 1
H40B H 0.2774 0.7068 0.1137 0.079 Uiso 0.75 1 calc R . P E 1
H40C H 0.2799 0.6948 0.1059 0.079 Uiso 0.25 1 calc R . P E 2
H40D H 0.3916 0.7165 0.0338 0.079 Uiso 0.25 1 calc R . P E 2
H1 H 0.532(3) 0.494(2) 0.389(2) 0.040(8) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 P1 2.2703(4) . ?
Au1 C11 2.0052(17) . ?
P1 C1 1.8170(16) . ?
P1 C16 1.8133(17) . ?
P1 C22 1.8127(17) . ?
O1 C15 1.438(2) . ?
O1 H1 0.75(3) . ?
C1 C2 1.379(2) . ?
C1 C5 1.423(2) 2_667 ?
C2 H2 0.9500 . ?
C2 C3 1.417(2) . ?
C3 C3 1.423(3) 2_667 ?
C3 C4 1.418(2) . ?
C4 H4 0.9500 . ?
C4 C5 1.372(2) . ?
C5 C1 1.423(2) 2_667 ?
C5 H5 0.9500 . ?
C11 C12 1.202(2) . ?
C12 C15 1.486(2) . ?
C15 C28 1.535(2) . ?
C15 C34 1.529(2) . ?
C16 C17 1.379(3) . ?
C16 C21 1.382(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.395(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.358(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.372(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.396(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.387(2) . ?
C22 C27 1.384(3) . ?
C23 H23 0.9500 . ?
C23 C24 1.394(3) . ?
C24 H24 0.9500 . ?
C24 C25 1.369(4) . ?
C25 H25 0.9500 . ?
C25 C26 1.383(4) . ?
C26 H26 0.9500 . ?
C26 C27 1.389(3) . ?
C27 H27 0.9500 . ?
C28 C29 1.396(3) . ?
C28 C33 1.386(3) . ?
C29 H29 0.9500 . ?
C29 C30 1.392(3) . ?
C30 H30 0.9500 . ?
C30 C31 1.385(4) . ?
C31 H31 0.9500 . ?
C31 C32 1.373(4) . ?
C32 H32 0.9500 . ?
C32 C33 1.398(3) . ?
C33 H33 0.9500 . ?
C34 C35A 1.351(7) . ?
C34 C35B 1.457(7) . ?
C34 C39A 1.437(7) . ?
C34 C39B 1.350(7) . ?
C35A H35A 0.9500 . ?
C35A C36A 1.402(6) . ?
C35B H35B 0.9500 . ?
C35B C36B 1.398(6) . ?
C36A H36A 0.9500 . ?
C36A C37A 1.373(6) . ?
C36B H36B 0.9500 . ?
C36B C37B 1.387(6) . ?
C37A H37A 0.9500 . ?
C37A C38A 1.364(6) . ?
C37B H37B 0.9500 . ?
C37B C38B 1.358(7) . ?
C38A H38A 0.9500 . ?
C38A C39A 1.418(8) . ?
C38B H38B 0.9500 . ?
C38B C39B 1.413(7) . ?
C39A H39A 0.9500 . ?
C39B H39B 0.9500 . ?
Cl1 C41A 1.69(3) . ?
Cl1 C41B 1.772(17) . ?
Cl1 C41C 1.79(3) . ?
Cl2A C41A 1.69(2) . ?
Cl2B C41B 1.634(12) . ?
Cl2C C41C 1.70(3) . ?
C41A H41A 0.9900 . ?
C41A H41B 0.9900 . ?
C41B H41C 0.9900 . ?
C41B H41D 0.9900 . ?
C41C H41E 0.9900 . ?
C41C H41F 0.9900 . ?
Cl3C C40 1.734(4) . ?
Cl4A C40 1.804(4) . ?
Cl4B C40 1.494(8) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C40 H40C 0.9900 . ?
C40 H40D 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C11 Au1 P1 176.31(5) . . ?
C1 P1 Au1 110.88(5) . . ?
C16 P1 Au1 114.55(6) . . ?
C16 P1 C1 104.75(8) . . ?
C22 P1 Au1 114.43(6) . . ?
C22 P1 C1 104.97(7) . . ?
C22 P1 C16 106.38(8) . . ?
C15 O1 H1 109(2) . . ?
C2 C1 P1 118.93(12) . . ?
C2 C1 C5 120.02(15) . 2_667 ?
C5 C1 P1 121.04(12) 2_667 . ?
C1 C2 H2 119.8 . . ?
C1 C2 C3 120.47(14) . . ?
C3 C2 H2 119.8 . . ?
C2 C3 C3 119.39(18) . 2_667 ?
C2 C3 C4 121.56(14) . . ?
C4 C3 C3 119.05(18) . 2_667 ?
C3 C4 H4 119.7 . . ?
C5 C4 C3 120.68(14) . . ?
C5 C4 H4 119.7 . . ?
C1 C5 H5 119.8 2_667 . ?
C4 C5 C1 120.39(15) . 2_667 ?
C4 C5 H5 119.8 . . ?
C12 C11 Au1 177.03(15) . . ?
C11 C12 C15 177.92(18) . . ?
O1 C15 C12 109.84(13) . . ?
O1 C15 C28 103.99(13) . . ?
O1 C15 C34 111.33(14) . . ?
C12 C15 C28 109.32(14) . . ?
C12 C15 C34 109.70(13) . . ?
C34 C15 C28 112.53(14) . . ?
C17 C16 P1 118.88(16) . . ?
C17 C16 C21 119.08(18) . . ?
C21 C16 P1 121.93(15) . . ?
C16 C17 H17 119.9 . . ?
C16 C17 C18 120.1(2) . . ?
C18 C17 H17 119.9 . . ?
C17 C18 H18 119.6 . . ?
C19 C18 C17 120.7(2) . . ?
C19 C18 H18 119.6 . . ?
C18 C19 H19 120.1 . . ?
C18 C19 C20 119.7(2) . . ?
C20 C19 H19 120.1 . . ?
C19 C20 H20 119.8 . . ?
C19 C20 C21 120.4(2) . . ?
C21 C20 H20 119.8 . . ?
C16 C21 C20 120.0(2) . . ?
C16 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C23 C22 P1 123.01(14) . . ?
C27 C22 P1 117.51(14) . . ?
C27 C22 C23 119.43(17) . . ?
C22 C23 H23 120.0 . . ?
C22 C23 C24 120.05(19) . . ?
C24 C23 H23 120.0 . . ?
C23 C24 H24 119.8 . . ?
C25 C24 C23 120.4(2) . . ?
C25 C24 H24 119.8 . . ?
C24 C25 H25 120.1 . . ?
C24 C25 C26 119.8(2) . . ?
C26 C25 H25 120.1 . . ?
C25 C26 H26 119.8 . . ?
C25 C26 C27 120.3(2) . . ?
C27 C26 H26 119.8 . . ?
C22 C27 C26 120.0(2) . . ?
C22 C27 H27 120.0 . . ?
C26 C27 H27 120.0 . . ?
C29 C28 C15 118.21(16) . . ?
C33 C28 C15 122.66(16) . . ?
C33 C28 C29 119.05(17) . . ?
C28 C29 H29 119.8 . . ?
C30 C29 C28 120.4(2) . . ?
C30 C29 H29 119.8 . . ?
C29 C30 H30 119.9 . . ?
C31 C30 C29 120.1(2) . . ?
C31 C30 H30 119.9 . . ?
C30 C31 H31 120.2 . . ?
C32 C31 C30 119.7(2) . . ?
C32 C31 H31 120.2 . . ?
C31 C32 H32 119.6 . . ?
C31 C32 C33 120.8(2) . . ?
C33 C32 H32 119.6 . . ?
C28 C33 C32 120.0(2) . . ?
C28 C33 H33 120.0 . . ?
C32 C33 H33 120.0 . . ?
C35A C34 C15 124.5(3) . . ?
C35A C34 C39A 119.6(3) . . ?
C35B C34 C15 114.7(2) . . ?
C39A C34 C15 115.9(2) . . ?
C39B C34 C15 126.3(3) . . ?
C39B C34 C35B 118.9(3) . . ?
C34 C35A H35A 119.7 . . ?
C34 C35A C36A 120.7(4) . . ?
C36A C35A H35A 119.7 . . ?
C34 C35B H35B 120.4 . . ?
C36B C35B C34 119.1(4) . . ?
C36B C35B H35B 120.4 . . ?
C35A C36A H36A 119.7 . . ?
C37A C36A C35A 120.7(4) . . ?
C37A C36A H36A 119.7 . . ?
C35B C36B H36B 120.0 . . ?
C37B C36B C35B 120.1(4) . . ?
C37B C36B H36B 120.0 . . ?
C36A C37A H37A 119.9 . . ?
C38A C37A C36A 120.2(4) . . ?
C38A C37A H37A 119.9 . . ?
C36B C37B H37B 120.0 . . ?
C38B C37B C36B 120.1(4) . . ?
C38B C37B H37B 120.0 . . ?
C37A C38A H38A 119.6 . . ?
C37A C38A C39A 120.7(5) . . ?
C39A C38A H38A 119.6 . . ?
C37B C38B H38B 119.3 . . ?
C37B C38B C39B 121.4(5) . . ?
C39B C38B H38B 119.3 . . ?
C34 C39A H39A 121.0 . . ?
C38A C39A C34 118.1(4) . . ?
C38A C39A H39A 121.0 . . ?
C34 C39B C38B 120.3(5) . . ?
C34 C39B H39B 119.8 . . ?
C38B C39B H39B 119.8 . . ?
Cl1 C41A Cl2A 112.3(14) . . ?
Cl1 C41A H41A 109.1 . . ?
Cl1 C41A H41B 109.1 . . ?
Cl2A C41A H41A 109.1 . . ?
Cl2A C41A H41B 109.1 . . ?
H41A C41A H41B 107.9 . . ?
Cl1 C41B H41C 108.4 . . ?
Cl1 C41B H41D 108.4 . . ?
Cl2B C41B Cl1 115.6(8) . . ?
Cl2B C41B H41C 108.4 . . ?
Cl2B C41B H41D 108.4 . . ?
H41C C41B H41D 107.4 . . ?
Cl1 C41C H41E 109.1 . . ?
Cl1 C41C H41F 109.1 . . ?
Cl2C C41C Cl1 112.5(13) . . ?
Cl2C C41C H41E 109.1 . . ?
Cl2C C41C H41F 109.1 . . ?
H41E C41C H41F 107.8 . . ?
Cl3C C40 Cl4A 108.4(2) . . ?
Cl3C C40 H40A 110.0 . . ?
Cl3C C40 H40B 110.0 . . ?
Cl3C C40 H40C 106.1 . . ?
Cl3C C40 H40D 106.1 . . ?
Cl4A C40 H40A 110.0 . . ?
Cl4A C40 H40B 110.0 . . ?
Cl4B C40 Cl3C 125.1(4) . . ?
Cl4B C40 H40C 106.1 . . ?
Cl4B C40 H40D 106.1 . . ?
H40A C40 H40B 108.4 . . ?
H40C C40 H40D 106.3 . . ?

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 P1 C1 C2 26.47(14) . . . . ?
Au1 P1 C1 C5 -154.56(12) . . . 2_667 ?
Au1 P1 C16 C17 62.3(2) . . . . ?
Au1 P1 C16 C21 -113.81(17) . . . . ?
Au1 P1 C22 C23 -149.06(15) . . . . ?
Au1 P1 C22 C27 33.77(19) . . . . ?
P1 C1 C2 C3 179.10(12) . . . . ?
P1 C16 C17 C18 -175.5(3) . . . . ?
P1 C16 C21 C20 175.4(2) . . . . ?
P1 C22 C23 C24 -177.17(17) . . . . ?
P1 C22 C27 C26 176.6(2) . . . . ?
O1 C15 C28 C29 -66.86(18) . . . . ?
O1 C15 C28 C33 109.91(17) . . . . ?
O1 C15 C34 C35A 165.9(4) . . . . ?
O1 C15 C34 C35B 174.9(3) . . . . ?
O1 C15 C34 C39A -14.3(4) . . . . ?
O1 C15 C34 C39B -8.6(4) . . . . ?
C1 P1 C16 C17 -176.0(2) . . . . ?
C1 P1 C16 C21 7.9(2) . . . . ?
C1 P1 C22 C23 89.16(17) . . . . ?
C1 P1 C22 C27 -88.01(18) . . . . ?
C1 C2 C3 C3 0.4(3) . . . 2_667 ?
C1 C2 C3 C4 179.90(15) . . . . ?
C2 C3 C4 C5 -179.57(16) . . . . ?
C3 C3 C4 C5 -0.1(3) 2_667 . . . ?
C3 C4 C5 C1 -0.5(3) . . . 2_667 ?
C5 C1 C2 C3 0.1(2) 2_667 . . . ?
C12 C15 C28 C29 50.4(2) . . . . ?
C12 C15 C28 C33 -132.84(17) . . . . ?
C12 C15 C34 C35A 44.1(4) . . . . ?
C12 C15 C34 C35B 53.1(3) . . . . ?
C12 C15 C34 C39A -136.1(3) . . . . ?
C12 C15 C34 C39B -130.4(4) . . . . ?
C15 C28 C29 C30 178.20(17) . . . . ?
C15 C28 C33 C32 -178.85(17) . . . . ?
C15 C34 C35A C36A 179.2(4) . . . . ?
C15 C34 C35B C36B 176.4(4) . . . . ?
C15 C34 C39A C38A 178.6(5) . . . . ?
C15 C34 C39B C38B -176.7(4) . . . . ?
C16 P1 C1 C2 -97.59(14) . . . . ?
C16 P1 C1 C5 81.37(15) . . . 2_667 ?
C16 P1 C22 C23 -21.53(18) . . . . ?
C16 P1 C22 C27 161.30(17) . . . . ?
C16 C17 C18 C19 -0.2(5) . . . . ?
C17 C16 C21 C20 -0.7(4) . . . . ?
C17 C18 C19 C20 -0.4(5) . . . . ?
C18 C19 C20 C21 0.4(5) . . . . ?
C19 C20 C21 C16 0.1(4) . . . . ?
C21 C16 C17 C18 0.7(4) . . . . ?
C22 P1 C1 C2 150.54(13) . . . . ?
C22 P1 C1 C5 -30.49(15) . . . 2_667 ?
C22 P1 C16 C17 -65.2(2) . . . . ?
C22 P1 C16 C21 118.73(18) . . . . ?
C22 C23 C24 C25 0.6(4) . . . . ?
C23 C22 C27 C26 -0.7(4) . . . . ?
C23 C24 C25 C26 -0.4(4) . . . . ?
C24 C25 C26 C27 -0.3(5) . . . . ?
C25 C26 C27 C22 0.9(5) . . . . ?
C27 C22 C23 C24 0.0(3) . . . . ?
C28 C15 C34 C35A -77.9(4) . . . . ?
C28 C15 C34 C35B -68.8(3) . . . . ?
C28 C15 C34 C39A 102.0(4) . . . . ?
C28 C15 C34 C39B 107.6(4) . . . . ?
C28 C29 C30 C31 0.3(3) . . . . ?
C29 C28 C33 C32 -2.1(3) . . . . ?
C29 C30 C31 C32 -1.1(3) . . . . ?
C30 C31 C32 C33 0.3(3) . . . . ?
C31 C32 C33 C28 1.3(3) . . . . ?
C33 C28 C29 C30 1.3(3) . . . . ?
C34 C15 C28 C29 172.53(15) . . . . ?
C34 C15 C28 C33 -10.7(2) . . . . ?
C34 C35A C36A C37A 2.3(8) . . . . ?
C34 C35B C36B C37B 1.0(8) . . . . ?
C35A C34 C35B C36B -40(2) . . . . ?
C35A C34 C39A C38A -1.6(7) . . . . ?
C35A C34 C39B C38B 8.1(7) . . . . ?
C35A C36A C37A C38A -1.6(8) . . . . ?
C35B C34 C35A C36A 138(3) . . . . ?
C35B C34 C39A C38A -12.2(9) . . . . ?
C35B C34 C39B C38B -0.3(7) . . . . ?
C35B C36B C37B C38B -0.9(8) . . . . ?
C36A C37A C38A C39A -0.7(9) . . . . ?
C36B C37B C38B C39B 0.2(9) . . . . ?
C37A C38A C39A C34 2.3(9) . . . . ?
C37B C38B C39B C34 0.5(9) . . . . ?
C39A C34 C35A C36A -0.6(7) . . . . ?
C39A C34 C35B C36B 7.0(8) . . . . ?
C39A C34 C39B C38B -150(3) . . . . ?
C39B C34 C35A C36A -5.5(7) . . . . ?
C39B C34 C35B C36B -0.4(7) . . . . ?
C39B C34 C39A C38A 22(2) . . . . ?
C41A Cl1 C41B Cl2B -180(5) . . . . ?
C41A Cl1 C41C Cl2C -146(4) . . . . ?
C41B Cl1 C41A Cl2A 25(3) . . . . ?
C41B Cl1 C41C Cl2C -143(5) . . . . ?
C41C Cl1 C41A Cl2A 28.0(19) . . . . ?
C41C Cl1 C41B Cl2B 6(4) . . . . ?


####################################################################### 
# 
# 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_Complex_3
_database_code_depnum_ccdc_archive 'CCDC 993389'
_audit_update_record             
;
2015-03-17 deposited with the CCDC.	2019-08-08 downloaded from the CCDC.
;
_audit_creation_date             2014-03-21
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.03.12 svn.r2899 for OlexSys, GUI svn.r4796)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C48 H42 Au2 O2 P2, 0.18(C H2 Cl2)'
_chemical_formula_sum            'C48.18 H42.36 Au2 Cl0.36 O2 P2'
_chemical_formula_weight         1121.97
_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'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.0271(2)
_cell_length_b                   15.4167(3)
_cell_length_c                   33.6004(7)
_cell_angle_alpha                90
_cell_angle_beta                 90.243(2)
_cell_angle_gamma                90
_cell_volume                     4676.04(18)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    18436
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      76.6164
_cell_measurement_theta_min      2.8639
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    12.726
_exptl_absorpt_correction_T_max  0.952
_exptl_absorpt_correction_T_min  0.805
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            yellow-green
_exptl_crystal_density_diffrn    1.594
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       lamina
_exptl_crystal_F_000             2166
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.08
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0540
_diffrn_reflns_av_unetI/netI     0.0373
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            38843
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         67.475
_diffrn_reflns_theta_min         4.881
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.3829
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -44.00  -12.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.0037   38.0000  120.0000 32

#__ type_ start__ end____ width___ exp.time_
  2 omega   -8.00   35.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.0037   38.0000  120.0000 43

#__ type_ start__ end____ width___ exp.time_
  3 omega  -96.00  -44.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.0037  126.0000  -90.0000 52

#__ type_ start__ end____ width___ exp.time_
  4 omega  -41.00  -16.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.0037  -38.0000 -180.0000 25

#__ type_ start__ end____ width___ exp.time_
  5 omega -114.00  -11.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.0037  -57.0000  -30.0000 103

#__ type_ start__ end____ width___ exp.time_
  6 omega   13.00   44.00   1.0000    5.0000
omega____ theta____ kappa____ phi______ frames
    -       41.0037   57.0000  -90.0000 31

#__ type_ start__ end____ width___ exp.time_
  7 omega   58.00   85.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -45.0000  150.0000 27

#__ type_ start__ end____ width___ exp.time_
  8 omega   35.00   60.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -30.0000  -60.0000 25

#__ type_ start__ end____ width___ exp.time_
  9 omega   48.00   87.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -24.0000  114.6368 39

#__ type_ start__ end____ width___ exp.time_
 10 omega  113.00  140.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -61.0000  150.0000 27

#__ type_ start__ end____ width___ exp.time_
 11 omega   45.00   81.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -45.0000  -60.0000 36

#__ type_ start__ end____ width___ exp.time_
 12 omega   40.00   97.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -45.0000  -30.0000 57

#__ type_ start__ end____ width___ exp.time_
 13 omega   87.00  150.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   45.0000   90.0000 63

#__ type_ start__ end____ width___ exp.time_
 14 omega   75.00  109.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -95.0000 -180.0000 34

#__ type_ start__ end____ width___ exp.time_
 15 omega   57.00  101.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -61.0000  150.0000 44

#__ type_ start__ end____ width___ exp.time_
 16 omega   44.00   71.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -30.0000 -180.0000 27

#__ type_ start__ end____ width___ exp.time_
 17 omega  123.00  150.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   77.0000    0.0000 27

#__ type_ start__ end____ width___ exp.time_
 18 omega   82.00  121.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   77.0000    0.0000 39

#__ type_ start__ end____ width___ exp.time_
 19 omega   87.00  172.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   77.0000   90.0000 85

#__ type_ start__ end____ width___ exp.time_
 20 omega   35.00   91.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000 -112.0000    0.0000 56

#__ type_ start__ end____ width___ exp.time_
 21 omega   61.00  110.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -77.0000  150.0000 49

#__ type_ start__ end____ width___ exp.time_
 22 omega   57.00  109.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -95.0000 -120.0000 52

#__ type_ start__ end____ width___ exp.time_
 23 omega  111.00  136.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   30.0000 -180.0000 25

#__ type_ start__ end____ width___ exp.time_
 24 omega   96.00  145.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   45.0000   60.0000 49

#__ type_ start__ end____ width___ exp.time_
 25 omega   55.00   92.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -45.0000 -180.0000 37

#__ type_ start__ end____ width___ exp.time_
 26 omega   93.00  120.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  178.0000  -60.0000 27

#__ type_ start__ end____ width___ exp.time_
 27 omega   39.00   64.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -45.0000   90.0000 25

#__ type_ start__ end____ width___ exp.time_
 28 omega   56.00   84.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -77.0000  -60.0000 28

#__ type_ start__ end____ width___ exp.time_
 29 omega  113.00  144.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -77.0000  -60.0000 31

#__ type_ start__ end____ width___ exp.time_
 30 omega   54.00   99.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -95.0000  150.0000 45

#__ type_ start__ end____ width___ exp.time_
 31 omega   59.00   92.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  178.0000  -60.0000 33

#__ type_ start__ end____ width___ exp.time_
 32 omega   90.00  115.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000 -112.0000 -180.0000 25

#__ type_ start__ end____ width___ exp.time_
 33 omega   72.00   99.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  178.0000    0.0000 27

#__ type_ start__ end____ width___ exp.time_
 34 omega   60.00   93.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -45.0000  120.0000 33

#__ type_ start__ end____ width___ exp.time_
 35 omega  107.00  136.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  112.0000  150.0000 29

#__ type_ start__ end____ width___ exp.time_
 36 omega  148.00  173.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  112.0000  150.0000 25

#__ type_ start__ end____ width___ exp.time_
 37 omega   46.00  106.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000 -112.0000  -30.0000 60

#__ type_ start__ end____ width___ exp.time_
 38 omega   70.00   98.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000 -112.0000  150.0000 28

#__ type_ start__ end____ width___ exp.time_
 39 omega   81.00  108.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  178.0000   30.0000 27

#__ type_ start__ end____ width___ exp.time_
 40 omega   96.00  123.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   61.0000  -30.0000 27

#__ type_ start__ end____ width___ exp.time_
 41 omega   78.00  103.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -67.0000  -87.7213 25

#__ type_ start__ end____ width___ exp.time_
 42 omega  104.00  139.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -85.0000  139.2674 35
;
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.1635675000
_diffrn_orient_matrix_UB_12      0.0283463000
_diffrn_orient_matrix_UB_13      -0.0016461000
_diffrn_orient_matrix_UB_21      0.0056770000
_diffrn_orient_matrix_UB_22      0.0027738000
_diffrn_orient_matrix_UB_23      0.0458101000
_diffrn_orient_matrix_UB_31      0.0487508000
_diffrn_orient_matrix_UB_32      -0.0957211000
_diffrn_orient_matrix_UB_33      0.0008666000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7408
_reflns_number_total             8344
_reflns_odcompleteness_completeness 95.36
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     80.95
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    
;
olex2.solve (L.J. Bourhis, O.V. Dolomanov, R.J. Gildea, J.A.K. Howard,
H. Puschmann, in preparation, 2011)
;
_refine_diff_density_max         2.880
_refine_diff_density_min         -3.112
_refine_diff_density_rms         0.241
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     467
_refine_ls_number_reflns         8344
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0656
_refine_ls_R_factor_gt           0.0603
_refine_ls_restrained_S_all      1.064
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1077P)²+22.7186P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1625
_refine_ls_wR_factor_ref         0.1718
_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 C(H,H,H) groups, All O(H) groups
2. Restrained distances
 O2B-C47B
 2.5 with sigma of 0.02
 O2A-O2B
 0.4 with sigma of 0.02
 H2B-O1_$1
 2.1 with sigma of 0.02
 C49-Cl2
 1.8 with sigma of 0.02
 Cl1-Cl2
 2.7 with sigma of 0.02
 C49-Cl1
 1.8 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C27A) = Uanis(C32A) = Uanis(C31A) = Uanis(C30A) = Uanis(C31B) =
Uanis(C30B) = Uanis(C29B) = Uanis(C28B) = Uanis(C29A) = Uanis(C28A) =
Uanis(C32B) = Uanis(C27B)
Uanis(C45) = Uanis(C44)
Uanis(C48A) = Uanis(C48B) = Uanis(C47B) = Uanis(C47A) = Uanis(O2A) = Uanis(O2B)
= Uanis(C39A) = Uanis(C39B) = Uanis(C40A) = Uanis(C40B) = Uanis(C46A) =
Uanis(C46B)
Uanis(Cl1) = Uanis(C49) = Uanis(Cl2)
4. Others
 Sof(Au2B)=Sof(O2B)=Sof(H2B)=Sof(C27B)=Sof(C32B)=Sof(H32B)=Sof(C31B)=Sof(H31B)=
 Sof(C30B)=Sof(H30B)=Sof(C29B)=Sof(H29B)=Sof(C28B)=Sof(H28B)=Sof(C39B)=
 Sof(C40B)=Sof(C46B)=Sof(C47B)=Sof(H47D)=Sof(H47E)=Sof(H47F)=Sof(C48B)=
 Sof(H48D)=Sof(H48E)=Sof(H48F)=1-FVAR(1)
 Sof(Au2A)=Sof(O2A)=Sof(H2A)=Sof(C27A)=Sof(C28A)=Sof(H28A)=Sof(C29A)=Sof(H29A)=
 Sof(C30A)=Sof(H30A)=Sof(C31A)=Sof(H31A)=Sof(C32A)=Sof(H32A)=Sof(C39A)=
 Sof(C40A)=Sof(C46A)=Sof(C47A)=Sof(H47A)=Sof(H47B)=Sof(H47C)=Sof(C48A)=
 Sof(H48A)=Sof(H48B)=Sof(H48C)=FVAR(1)
 Fixed Sof: Cl1(0.18) Cl2(0.18) C49(0.18) H49A(0.18) H49B(0.18)
5.a Secondary CH2 refined with riding coordinates:
 C49(H49A,H49B)
5.b Aromatic/amide H refined with riding coordinates:
 C20(H20), C19(H19), C18(H18), C17(H17), C16(H16), C22(H22), C23(H23),
 C24(H24), C25(H25), C26(H26), C13(H13), C12(H12), C11(H11), C10(H10), C6(H6),
 C5(H5), C4(H4), C3(H3), C38(H38), C37(H37), C36(H36), C35(H35), C34(H34),
 C28A(H28A), C29A(H29A), C30A(H30A), C31A(H31A), C32A(H32A), C32B(H32B),
 C31B(H31B), C30B(H30B), C29B(H29B), C28B(H28B)
5.c Fitted hexagon refined as free rotating group:
 C27A(C28A,C29A,C30A,C31A,C32A), C27B(C32B,C31B,C30B,C29B,C28B)
5.d Idealised Me refined as rotating group:
 C44(H44A,H44B,H44C), C45(H45A,H45B,H45C), C47A(H47A,H47B,H47C), C48A(H48A,
 H48B,H48C), C47B(H47D,H47E,H47F), C48B(H48D,H48E,H48F)
5.e Idealised tetrahedral OH refined as rotating group:
 O1(H1), O2A(H2A), O2B(H2B)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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 0.13533(3) 0.13496(2) 0.04643(2) 0.03052(14) Uani 1 1 d . . . . .
P1 P 0.02216(17) 0.03395(10) 0.08532(4) 0.0259(3) Uani 1 1 d . . . . .
P2 P -0.00054(19) 0.20662(11) 0.25951(5) 0.0321(4) Uani 1 1 d . . . . .
O1 O 0.4721(10) 0.3754(6) -0.0250(2) 0.076(2) Uani 1 1 d D . . . .
H1 H 0.4502 0.3952 -0.0032 0.113 Uiso 1 1 calc GR . . . .
C41 C 0.2282(8) 0.2212(5) 0.0097(2) 0.0381(16) Uani 1 1 d . . . . .
C42 C 0.2824(10) 0.2718(6) -0.0130(2) 0.0465(19) Uani 1 1 d . . . . .
C43 C 0.3454(13) 0.3324(7) -0.0421(3) 0.059(3) Uani 1 1 d . . . . .
C44 C 0.396(2) 0.2851(10) -0.0780(4) 0.103(4) Uani 1 1 d . . . . .
H44A H 0.4752 0.3166 -0.0903 0.154 Uiso 1 1 calc GR . . . .
H44B H 0.3149 0.2796 -0.0965 0.154 Uiso 1 1 calc GR . . . .
H44C H 0.4301 0.2284 -0.0705 0.154 Uiso 1 1 calc GR . . . .
C45 C 0.228(2) 0.3974(11) -0.0538(4) 0.103(4) Uani 1 1 d . . . . .
H45A H 0.1999 0.4304 -0.0308 0.154 Uiso 1 1 calc GR . . . .
H45B H 0.1433 0.3674 -0.0642 0.154 Uiso 1 1 calc GR . . . .
H45C H 0.2668 0.4356 -0.0737 0.154 Uiso 1 1 calc GR . . . .
C15 C -0.1703(7) 0.0317(5) 0.06975(18) 0.0311(14) Uani 1 1 d . . . . .
C20 C -0.2505(9) 0.1094(5) 0.0720(2) 0.0396(16) Uani 1 1 d . . . . .
H20 H -0.2056 0.1598 0.0814 0.047 Uiso 1 1 calc R . . . .
C19 C -0.3989(10) 0.1099(7) 0.0600(3) 0.053(2) Uani 1 1 d . . . . .
H19 H -0.4523 0.1615 0.0607 0.063 Uiso 1 1 calc R . . . .
C18 C -0.4669(9) 0.0349(7) 0.0472(2) 0.053(2) Uani 1 1 d . . . . .
H18 H -0.5668 0.0356 0.0403 0.064 Uiso 1 1 calc R . . . .
C17 C -0.3882(8) -0.0404(7) 0.0446(2) 0.046(2) Uani 1 1 d . . . . .
H17 H -0.4344 -0.0904 0.0354 0.055 Uiso 1 1 calc R . . . .
C16 C -0.2405(8) -0.0433(5) 0.0557(2) 0.0370(15) Uani 1 1 d . . . . .
H16 H -0.1879 -0.0950 0.0537 0.044 Uiso 1 1 calc R . . . .
C21 C 0.0946(8) -0.0744(4) 0.0801(2) 0.0317(14) Uani 1 1 d . . . . .
C22 C 0.1096(10) -0.1313(5) 0.1114(2) 0.0401(17) Uani 1 1 d . . . . .
H22 H 0.0809 -0.1143 0.1368 0.048 Uiso 1 1 calc R . . . .
C23 C 0.1668(12) -0.2133(6) 0.1056(3) 0.057(2) Uani 1 1 d . . . . .
H23 H 0.1761 -0.2510 0.1271 0.068 Uiso 1 1 calc R . . . .
C24 C 0.2098(14) -0.2395(7) 0.0686(3) 0.065(3) Uani 1 1 d . . . . .
H24 H 0.2494 -0.2946 0.0649 0.079 Uiso 1 1 calc R . . . .
C25 C 0.1942(15) -0.1835(7) 0.0364(3) 0.069(3) Uani 1 1 d . . . . .
H25 H 0.2206 -0.2019 0.0110 0.083 Uiso 1 1 calc R . . . .
C26 C 0.1400(10) -0.1011(7) 0.0418(2) 0.050(2) Uani 1 1 d . . . . .
H26 H 0.1333 -0.0631 0.0204 0.060 Uiso 1 1 calc R . . . .
C1 C 0.0266(7) 0.0577(4) 0.13893(19) 0.0262(12) Uani 1 1 d . . . . .
C14 C 0.1551(7) 0.0976(4) 0.15474(19) 0.0269(12) Uani 1 1 d . . . . .
C13 C 0.2951(7) 0.0948(4) 0.1346(2) 0.0302(13) Uani 1 1 d . . . . .
H13 H 0.2995 0.0712 0.1092 0.036 Uiso 1 1 calc R . . . .
C12 C 0.4202(8) 0.1254(5) 0.1515(2) 0.0354(15) Uani 1 1 d . . . . .
H12 H 0.5093 0.1211 0.1379 0.042 Uiso 1 1 calc R . . . .
C11 C 0.4177(8) 0.1641(5) 0.1899(2) 0.0368(15) Uani 1 1 d . . . . .
H11 H 0.5045 0.1854 0.2013 0.044 Uiso 1 1 calc R . . . .
C10 C 0.2871(7) 0.1697(4) 0.2099(2) 0.0302(13) Uani 1 1 d . . . . .
H10 H 0.2862 0.1949 0.2351 0.036 Uiso 1 1 calc R . . . .
C9 C 0.1509(7) 0.1378(4) 0.1934(2) 0.0262(13) Uani 1 1 d . . . . .
C8 C 0.0162(7) 0.1395(4) 0.2145(2) 0.0258(13) Uani 1 1 d . . . . .
C7 C -0.0981(7) 0.0825(4) 0.2031(2) 0.0274(13) Uani 1 1 d . . . . .
C6 C -0.2163(8) 0.0589(5) 0.2294(2) 0.0329(14) Uani 1 1 d . . . . .
H6 H -0.2208 0.0849 0.2544 0.039 Uiso 1 1 calc R . . . .
C5 C -0.3213(8) 0.0004(5) 0.2194(2) 0.0347(15) Uani 1 1 d . . . . .
H5 H -0.3970 -0.0128 0.2371 0.042 Uiso 1 1 calc R . . . .
C4 C -0.3153(8) -0.0409(4) 0.1816(2) 0.0318(14) Uani 1 1 d . . . . .
H4 H -0.3869 -0.0817 0.1746 0.038 Uiso 1 1 calc R . . . .
C3 C -0.2059(7) -0.0212(4) 0.15566(19) 0.0295(13) Uani 1 1 d . . . . .
H3 H -0.2041 -0.0488 0.1311 0.035 Uiso 1 1 calc R . . . .
C2 C -0.0934(7) 0.0405(4) 0.16492(18) 0.0262(12) Uani 1 1 d . . . . .
C33 C 0.0918(7) 0.3089(4) 0.24952(19) 0.0268(12) Uani 1 1 d . . . . .
C38 C 0.1044(10) 0.3449(5) 0.2116(2) 0.0419(17) Uani 1 1 d . . . . .
H38 H 0.0703 0.3144 0.1895 0.050 Uiso 1 1 calc R . . . .
C37 C 0.1672(13) 0.4253(5) 0.2070(3) 0.056(2) Uani 1 1 d . . . . .
H37 H 0.1764 0.4488 0.1816 0.067 Uiso 1 1 calc R . . . .
C36 C 0.2171(11) 0.4718(5) 0.2396(3) 0.050(2) Uani 1 1 d . . . . .
H36 H 0.2561 0.5271 0.2363 0.060 Uiso 1 1 calc R . . . .
C35 C 0.2088(8) 0.4356(5) 0.2773(2) 0.0358(15) Uani 1 1 d . . . . .
H35 H 0.2448 0.4660 0.2992 0.043 Uiso 1 1 calc R . . . .
C34 C 0.1462(7) 0.3534(4) 0.2823(2) 0.0265(13) Uani 1 1 d . . . . .
H34 H 0.1410 0.3287 0.3075 0.032 Uiso 1 1 calc R . . . .
Au2A Au 0.0990(3) 0.13575(8) 0.31666(4) 0.0298(3) Uani 0.565(7) 1 d . . P A 1
O2A O 0.0816(19) -0.0400(17) 0.4501(8) 0.082(3) Uani 0.565(7) 1 d D . P A 1
H2A H 0.0683 0.0068 0.4612 0.123 Uiso 0.565(7) 1 calc GR . P A 1
C27A C -0.1854(8) 0.2363(8) 0.2709(3) 0.0636(18) Uani 0.565(7) 1 d . . P A 1
C28A C -0.2659(10) 0.2847(8) 0.2434(3) 0.0636(18) Uani 0.565(7) 1 d G . P A 1
H28A H -0.2236 0.2998 0.2192 0.076 Uiso 0.565(7) 1 calc R . P A 1
C29A C -0.4097(10) 0.3106(7) 0.2521(3) 0.0636(18) Uani 0.565(7) 1 d G . P A 1
H29A H -0.4635 0.3430 0.2337 0.076 Uiso 0.565(7) 1 calc R . P A 1
C30A C -0.4729(7) 0.2881(8) 0.2883(3) 0.0636(18) Uani 0.565(7) 1 d G . P A 1
H30A H -0.5691 0.3054 0.2941 0.076 Uiso 0.565(7) 1 calc R . P A 1
C31A C -0.3924(10) 0.2397(7) 0.3158(3) 0.0636(18) Uani 0.565(7) 1 d G . P A 1
H31A H -0.4347 0.2246 0.3400 0.076 Uiso 0.565(7) 1 calc R . P A 1
C32A C -0.2486(10) 0.2138(7) 0.3071(3) 0.0636(18) Uani 0.565(7) 1 d G . P A 1
H32A H -0.1948 0.1814 0.3255 0.076 Uiso 0.565(7) 1 calc R . P A 1
C39A C 0.163(3) 0.067(2) 0.3632(8) 0.082(3) Uani 0.565(7) 1 d . . P A 1
C40A C 0.182(3) 0.0210(17) 0.3913(7) 0.082(3) Uani 0.565(7) 1 d . . P A 1
C46A C 0.211(4) -0.0350(15) 0.4258(6) 0.082(3) Uani 0.565(7) 1 d . . P A 1
C47A C 0.325(3) -0.0085(14) 0.4491(6) 0.082(3) Uani 0.565(7) 1 d . . P A 1
H47A H 0.2879 0.0301 0.4692 0.123 Uiso 0.565(7) 1 calc GR . P A 1
H47B H 0.3965 0.0212 0.4331 0.123 Uiso 0.565(7) 1 calc GR . P A 1
H47C H 0.3700 -0.0579 0.4615 0.123 Uiso 0.565(7) 1 calc GR . P A 1
C48A C 0.226(3) -0.1286(14) 0.4111(6) 0.082(3) Uani 0.565(7) 1 d . . P A 1
H48A H 0.2546 -0.1653 0.4329 0.123 Uiso 0.565(7) 1 calc GR . P A 1
H48B H 0.2995 -0.1314 0.3906 0.123 Uiso 0.565(7) 1 calc GR . P A 1
H48C H 0.1323 -0.1478 0.4006 0.123 Uiso 0.565(7) 1 calc GR . P A 1
Au2B Au 0.0425(5) 0.13443(11) 0.31136(7) 0.0407(5) Uani 0.435(7) 1 d . . P A 2
O2B O 0.043(2) -0.050(2) 0.4492(10) 0.082(3) Uani 0.435(7) 1 d D . P A 2
H2B H 0.0421 0.0013 0.4563 0.123 Uiso 0.435(7) 1 calc DGR . P A 2
C27B C -0.1951(11) 0.2541(10) 0.2528(5) 0.0636(18) Uani 0.435(7) 1 d . . P A 2
C32B C -0.2877(14) 0.2526(9) 0.2857(4) 0.0636(18) Uani 0.435(7) 1 d G . P A 2
H32B H -0.2590 0.2229 0.3086 0.076 Uiso 0.435(7) 1 calc R . P A 2
C31B C -0.4232(12) 0.2954(10) 0.2845(4) 0.0636(18) Uani 0.435(7) 1 d G . P A 2
H31B H -0.4851 0.2943 0.3065 0.076 Uiso 0.435(7) 1 calc R . P A 2
C30B C -0.4660(10) 0.3398(10) 0.2503(4) 0.0636(18) Uani 0.435(7) 1 d G . P A 2
H30B H -0.5566 0.3684 0.2495 0.076 Uiso 0.435(7) 1 calc R . P A 2
C29B C -0.3734(13) 0.3413(9) 0.2174(4) 0.0636(18) Uani 0.435(7) 1 d G . P A 2
H29B H -0.4021 0.3710 0.1945 0.076 Uiso 0.435(7) 1 calc R . P A 2
C28B C -0.2379(12) 0.2985(10) 0.2186(4) 0.0636(18) Uani 0.435(7) 1 d G . P A 2
H28B H -0.1760 0.2996 0.1966 0.076 Uiso 0.435(7) 1 calc R . P A 2
C39B C 0.107(4) 0.062(3) 0.3602(11) 0.082(3) Uani 0.435(7) 1 d . . P A 2
C40B C 0.115(4) 0.010(2) 0.3860(9) 0.082(3) Uani 0.435(7) 1 d . . P A 2
C46B C 0.152(4) -0.061(2) 0.4167(8) 0.082(3) Uani 0.435(7) 1 d . . P A 2
C47B C 0.313(3) -0.0534(18) 0.4333(7) 0.082(3) Uani 0.435(7) 1 d D . P A 2
H47D H 0.3469 0.0054 0.4307 0.123 Uiso 0.435(7) 1 calc GR . P A 2
H47E H 0.3776 -0.0910 0.4185 0.123 Uiso 0.435(7) 1 calc GR . P A 2
H47F H 0.3150 -0.0698 0.4609 0.123 Uiso 0.435(7) 1 calc GR . P A 2
C48B C 0.125(4) -0.1504(18) 0.4005(8) 0.082(3) Uani 0.435(7) 1 d . . P A 2
H48D H 0.1512 -0.1927 0.4203 0.123 Uiso 0.435(7) 1 calc GR . P A 2
H48E H 0.1847 -0.1591 0.3772 0.123 Uiso 0.435(7) 1 calc GR . P A 2
H48F H 0.0223 -0.1567 0.3936 0.123 Uiso 0.435(7) 1 calc GR . P A 2
Cl1 Cl -0.225(3) 0.4778(9) 0.1601(5) 0.096(4) Uani 0.18 1 d D . P B 1
Cl2 Cl -0.293(3) 0.3110(9) 0.1350(5) 0.096(4) Uani 0.18 1 d D . P . .
C49 C -0.364(6) 0.4194(17) 0.133(2) 0.096(4) Uani 0.18 1 d D . P B 1
H49A H -0.3740 0.4401 0.1063 0.115 Uiso 0.18 1 calc R . P B 1
H49B H -0.4597 0.4234 0.1465 0.115 Uiso 0.18 1 calc R . 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 P1 2.2778(15) . ?
Au1 C41 1.999(7) . ?
P1 C15 1.812(6) . ?
P1 C21 1.802(7) . ?
P1 C1 1.838(7) . ?
P2 C8 1.839(7) . ?
P2 C33 1.816(6) . ?
P2 Au2A 2.382(3) . ?
P2 C27A 1.774(6) . ?
P2 Au2B 2.102(3) . ?
P2 C27B 1.915(9) . ?
O1 H1 0.8200 . ?
O1 C43 1.439(12) . ?
C41 C42 1.197(12) . ?
C42 C43 1.470(12) . ?
C43 C44 1.484(19) . ?
C43 C45 1.51(2) . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C15 C20 1.401(11) . ?
C15 C16 1.401(10) . ?
C20 H20 0.9300 . ?
C20 C19 1.397(12) . ?
C19 H19 0.9300 . ?
C19 C18 1.378(15) . ?
C18 H18 0.9300 . ?
C18 C17 1.364(14) . ?
C17 H17 0.9300 . ?
C17 C16 1.383(10) . ?
C16 H16 0.9300 . ?
C21 C22 1.377(10) . ?
C21 C26 1.412(11) . ?
C22 H22 0.9300 . ?
C22 C23 1.379(12) . ?
C23 H23 0.9300 . ?
C23 C24 1.367(14) . ?
C24 H24 0.9300 . ?
C24 C25 1.392(15) . ?
C25 H25 0.9300 . ?
C25 C26 1.373(14) . ?
C26 H26 0.9300 . ?
C1 C14 1.414(9) . ?
C1 C2 1.419(9) . ?
C14 C13 1.436(9) . ?
C14 C9 1.438(9) . ?
C13 H13 0.9300 . ?
C13 C12 1.347(10) . ?
C12 H12 0.9300 . ?
C12 C11 1.421(11) . ?
C11 H11 0.9300 . ?
C11 C10 1.363(10) . ?
C10 H10 0.9300 . ?
C10 C9 1.434(9) . ?
C9 C8 1.412(10) . ?
C8 C7 1.407(9) . ?
C7 C6 1.435(9) . ?
C7 C2 1.439(9) . ?
C6 H6 0.9300 . ?
C6 C5 1.350(10) . ?
C5 H5 0.9300 . ?
C5 C4 1.422(10) . ?
C4 H4 0.9300 . ?
C4 C3 1.355(10) . ?
C3 H3 0.9300 . ?
C3 C2 1.425(9) . ?
C33 C38 1.394(10) . ?
C33 C34 1.386(9) . ?
C38 H38 0.9300 . ?
C38 C37 1.373(12) . ?
C37 H37 0.9300 . ?
C37 C36 1.384(13) . ?
C36 H36 0.9300 . ?
C36 C35 1.385(12) . ?
C35 H35 0.9300 . ?
C35 C34 1.398(10) . ?
C34 H34 0.9300 . ?
Au2A C39A 1.97(3) . ?
O2A H2A 0.8200 . ?
O2A C46A 1.43(3) . ?
C27A C28A 1.3900 . ?
C27A C32A 1.3900 . ?
C28A H28A 0.9300 . ?
C28A C29A 1.3900 . ?
C29A H29A 0.9300 . ?
C29A C30A 1.3900 . ?
C30A H30A 0.9300 . ?
C30A C31A 1.3900 . ?
C31A H31A 0.9300 . ?
C31A C32A 1.3900 . ?
C32A H32A 0.9300 . ?
C39A C40A 1.19(3) . ?
C40A C46A 1.47(3) . ?
C46A C47A 1.35(4) . ?
C46A C48A 1.53(3) . ?
C47A H47A 0.9600 . ?
C47A H47B 0.9600 . ?
C47A H47C 0.9600 . ?
C48A H48A 0.9600 . ?
C48A H48B 0.9600 . ?
C48A H48C 0.9600 . ?
Au2B C39B 2.07(3) . ?
O2B H2B 0.8200 . ?
O2B C46B 1.48(4) . ?
C27B C32B 1.3900 . ?
C27B C28B 1.3900 . ?
C32B H32B 0.9300 . ?
C32B C31B 1.3900 . ?
C31B H31B 0.9300 . ?
C31B C30B 1.3900 . ?
C30B H30B 0.9300 . ?
C30B C29B 1.3900 . ?
C29B H29B 0.9300 . ?
C29B C28B 1.3900 . ?
C28B H28B 0.9300 . ?
C39B C40B 1.18(4) . ?
C40B C46B 1.54(4) . ?
C46B C47B 1.57(5) . ?
C46B C48B 1.50(4) . ?
C47B H47D 0.9600 . ?
C47B H47E 0.9600 . ?
C47B H47F 0.9600 . ?
C48B H48D 0.9600 . ?
C48B H48E 0.9600 . ?
C48B H48F 0.9600 . ?
Cl1 C49 1.78(2) . ?
Cl2 C49 1.79(2) . ?
C49 H49A 0.9700 . ?
C49 H49B 0.9700 . ?

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
C41 Au1 P1 176.8(2) . . ?
C15 P1 Au1 106.2(2) . . ?
C15 P1 C1 107.7(3) . . ?
C21 P1 Au1 114.4(2) . . ?
C21 P1 C15 107.6(3) . . ?
C21 P1 C1 105.9(3) . . ?
C1 P1 Au1 114.7(2) . . ?
C8 P2 Au2A 111.9(2) . . ?
C8 P2 Au2B 111.6(2) . . ?
C8 P2 C27B 101.3(5) . . ?
C33 P2 C8 107.3(3) . . ?
C33 P2 Au2A 112.1(2) . . ?
C33 P2 Au2B 122.0(2) . . ?
C33 P2 C27B 93.8(5) . . ?
C27A P2 C8 113.8(4) . . ?
C27A P2 C33 104.4(5) . . ?
C27A P2 Au2A 107.3(4) . . ?
C27B P2 Au2B 117.8(5) . . ?
C43 O1 H1 109.5 . . ?
C42 C41 Au1 178.5(7) . . ?
C41 C42 C43 177.8(9) . . ?
O1 C43 C42 109.7(7) . . ?
O1 C43 C44 107.8(10) . . ?
O1 C43 C45 110.7(10) . . ?
C42 C43 C44 110.4(9) . . ?
C42 C43 C45 108.8(10) . . ?
C44 C43 C45 109.5(11) . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C20 C15 P1 117.6(6) . . ?
C20 C15 C16 119.4(7) . . ?
C16 C15 P1 123.0(6) . . ?
C15 C20 H20 120.5 . . ?
C19 C20 C15 119.0(8) . . ?
C19 C20 H20 120.5 . . ?
C20 C19 H19 119.7 . . ?
C18 C19 C20 120.7(8) . . ?
C18 C19 H19 119.7 . . ?
C19 C18 H18 119.9 . . ?
C17 C18 C19 120.2(7) . . ?
C17 C18 H18 119.9 . . ?
C18 C17 H17 119.6 . . ?
C18 C17 C16 120.9(8) . . ?
C16 C17 H17 119.6 . . ?
C15 C16 H16 120.1 . . ?
C17 C16 C15 119.8(8) . . ?
C17 C16 H16 120.1 . . ?
C22 C21 P1 123.4(6) . . ?
C22 C21 C26 118.8(7) . . ?
C26 C21 P1 117.8(6) . . ?
C21 C22 H22 119.6 . . ?
C21 C22 C23 120.8(8) . . ?
C23 C22 H22 119.6 . . ?
C22 C23 H23 119.8 . . ?
C24 C23 C22 120.5(9) . . ?
C24 C23 H23 119.8 . . ?
C23 C24 H24 120.1 . . ?
C23 C24 C25 119.8(9) . . ?
C25 C24 H24 120.1 . . ?
C24 C25 H25 119.8 . . ?
C26 C25 C24 120.3(9) . . ?
C26 C25 H25 119.8 . . ?
C21 C26 H26 120.1 . . ?
C25 C26 C21 119.8(8) . . ?
C25 C26 H26 120.1 . . ?
C14 C1 P1 118.0(5) . . ?
C14 C1 C2 118.5(6) . . ?
C2 C1 P1 123.5(5) . . ?
C1 C14 C13 122.1(6) . . ?
C1 C14 C9 120.1(6) . . ?
C13 C14 C9 117.6(6) . . ?
C14 C13 H13 119.0 . . ?
C12 C13 C14 121.9(6) . . ?
C12 C13 H13 119.0 . . ?
C13 C12 H12 119.5 . . ?
C13 C12 C11 120.9(7) . . ?
C11 C12 H12 119.5 . . ?
C12 C11 H11 120.3 . . ?
C10 C11 C12 119.4(6) . . ?
C10 C11 H11 120.3 . . ?
C11 C10 H10 119.0 . . ?
C11 C10 C9 121.9(6) . . ?
C9 C10 H10 119.0 . . ?
C10 C9 C14 118.2(6) . . ?
C8 C9 C14 119.2(6) . . ?
C8 C9 C10 122.5(6) . . ?
C9 C8 P2 119.9(5) . . ?
C7 C8 P2 120.8(5) . . ?
C7 C8 C9 119.0(6) . . ?
C8 C7 C6 122.5(6) . . ?
C8 C7 C2 119.9(6) . . ?
C6 C7 C2 117.4(6) . . ?
C7 C6 H6 118.7 . . ?
C5 C6 C7 122.6(6) . . ?
C5 C6 H6 118.7 . . ?
C6 C5 H5 120.2 . . ?
C6 C5 C4 119.6(6) . . ?
C4 C5 H5 120.2 . . ?
C5 C4 H4 119.9 . . ?
C3 C4 C5 120.3(6) . . ?
C3 C4 H4 119.9 . . ?
C4 C3 H3 119.0 . . ?
C4 C3 C2 122.0(6) . . ?
C2 C3 H3 119.0 . . ?
C1 C2 C7 119.4(6) . . ?
C1 C2 C3 122.4(6) . . ?
C3 C2 C7 118.1(6) . . ?
C38 C33 P2 123.6(5) . . ?
C34 C33 P2 116.4(5) . . ?
C34 C33 C38 120.0(6) . . ?
C33 C38 H38 120.1 . . ?
C37 C38 C33 119.8(7) . . ?
C37 C38 H38 120.1 . . ?
C38 C37 H37 119.6 . . ?
C38 C37 C36 120.7(8) . . ?
C36 C37 H37 119.6 . . ?
C37 C36 H36 120.1 . . ?
C37 C36 C35 119.8(7) . . ?
C35 C36 H36 120.1 . . ?
C36 C35 H35 120.1 . . ?
C36 C35 C34 119.9(6) . . ?
C34 C35 H35 120.1 . . ?
C33 C34 C35 119.7(6) . . ?
C33 C34 H34 120.2 . . ?
C35 C34 H34 120.2 . . ?
C39A Au2A P2 173.4(10) . . ?
C46A O2A H2A 109.5 . . ?
C28A C27A P2 119.0(6) . . ?
C28A C27A C32A 120.0 . . ?
C32A C27A P2 121.0(6) . . ?
C27A C28A H28A 120.0 . . ?
C29A C28A C27A 120.0 . . ?
C29A C28A H28A 120.0 . . ?
C28A C29A H29A 120.0 . . ?
C30A C29A C28A 120.0 . . ?
C30A C29A H29A 120.0 . . ?
C29A C30A H30A 120.0 . . ?
C29A C30A C31A 120.0 . . ?
C31A C30A H30A 120.0 . . ?
C30A C31A H31A 120.0 . . ?
C32A C31A C30A 120.0 . . ?
C32A C31A H31A 120.0 . . ?
C27A C32A H32A 120.0 . . ?
C31A C32A C27A 120.0 . . ?
C31A C32A H32A 120.0 . . ?
C40A C39A Au2A 171(3) . . ?
C39A C40A C46A 178(3) . . ?
O2A C46A C40A 110(2) . . ?
O2A C46A C48A 102(2) . . ?
C40A C46A C48A 108.4(19) . . ?
C47A C46A O2A 107.7(18) . . ?
C47A C46A C40A 114(2) . . ?
C47A C46A C48A 114(2) . . ?
C46A C47A H47A 109.5 . . ?
C46A C47A H47B 109.5 . . ?
C46A C47A H47C 109.5 . . ?
H47A C47A H47B 109.5 . . ?
H47A C47A H47C 109.5 . . ?
H47B C47A H47C 109.5 . . ?
C46A C48A H48A 109.5 . . ?
C46A C48A H48B 109.5 . . ?
C46A C48A H48C 109.5 . . ?
H48A C48A H48B 109.5 . . ?
H48A C48A H48C 109.5 . . ?
H48B C48A H48C 109.5 . . ?
C39B Au2B P2 174.0(9) . . ?
C46B O2B H2B 109.5 . . ?
C32B C27B P2 117.0(8) . . ?
C32B C27B C28B 120.0 . . ?
C28B C27B P2 122.5(8) . . ?
C27B C32B H32B 120.0 . . ?
C27B C32B C31B 120.0 . . ?
C31B C32B H32B 120.0 . . ?
C32B C31B H31B 120.0 . . ?
C30B C31B C32B 120.0 . . ?
C30B C31B H31B 120.0 . . ?
C31B C30B H30B 120.0 . . ?
C31B C30B C29B 120.0 . . ?
C29B C30B H30B 120.0 . . ?
C30B C29B H29B 120.0 . . ?
C28B C29B C30B 120.0 . . ?
C28B C29B H29B 120.0 . . ?
C27B C28B H28B 120.0 . . ?
C29B C28B C27B 120.0 . . ?
C29B C28B H28B 120.0 . . ?
C40B C39B Au2B 165(4) . . ?
C39B C40B C46B 170(3) . . ?
O2B C46B C40B 105(2) . . ?
O2B C46B C47B 110(2) . . ?
O2B C46B C48B 106(3) . . ?
C40B C46B C47B 112(3) . . ?
C48B C46B C40B 112(3) . . ?
C48B C46B C47B 110(3) . . ?
C46B C47B H47D 109.5 . . ?
C46B C47B H47E 109.5 . . ?
C46B C47B H47F 109.5 . . ?
H47D C47B H47E 109.5 . . ?
H47D C47B H47F 109.5 . . ?
H47E C47B H47F 109.5 . . ?
C46B C48B H48D 109.5 . . ?
C46B C48B H48E 109.5 . . ?
C46B C48B H48F 109.5 . . ?
H48D C48B H48E 109.5 . . ?
H48D C48B H48F 109.5 . . ?
H48E C48B H48F 109.5 . . ?
Cl1 C49 Cl2 101.7(13) . . ?
Cl1 C49 H49A 111.4 . . ?
Cl1 C49 H49B 111.4 . . ?
Cl2 C49 H49A 111.4 . . ?
Cl2 C49 H49B 111.4 . . ?
H49A C49 H49B 109.3 . . ?

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 P1 C15 C20 -58.2(5) . . . . ?
Au1 P1 C15 C16 121.6(5) . . . . ?
Au1 P1 C21 C22 142.6(6) . . . . ?
Au1 P1 C21 C26 -36.4(7) . . . . ?
Au1 P1 C1 C14 -36.2(6) . . . . ?
Au1 P1 C1 C2 141.8(5) . . . . ?
P1 C15 C20 C19 179.7(6) . . . . ?
P1 C15 C16 C17 179.4(5) . . . . ?
P1 C21 C22 C23 -179.6(7) . . . . ?
P1 C21 C26 C25 -179.2(8) . . . . ?
P1 C1 C14 C13 -20.4(8) . . . . ?
P1 C1 C14 C9 163.8(5) . . . . ?
P1 C1 C2 C7 -162.4(5) . . . . ?
P1 C1 C2 C3 21.5(9) . . . . ?
P2 C8 C7 C6 -14.1(9) . . . . ?
P2 C8 C7 C2 170.6(5) . . . . ?
P2 C33 C38 C37 175.6(7) . . . . ?
P2 C33 C34 C35 -175.3(5) . . . . ?
P2 C27A C28A C29A -178.4(9) . . . . ?
P2 C27A C32A C31A 178.4(9) . . . . ?
P2 C27B C32B C31B 172.0(11) . . . . ?
P2 C27B C28B C29B -171.6(11) . . . . ?
C15 P1 C21 C22 -99.7(7) . . . . ?
C15 P1 C21 C26 81.3(7) . . . . ?
C15 P1 C1 C14 -154.2(5) . . . . ?
C15 P1 C1 C2 23.8(6) . . . . ?
C15 C20 C19 C18 1.8(12) . . . . ?
C20 C15 C16 C17 -0.8(10) . . . . ?
C20 C19 C18 C17 -2.6(13) . . . . ?
C19 C18 C17 C16 1.6(13) . . . . ?
C18 C17 C16 C15 0.1(11) . . . . ?
C16 C15 C20 C19 -0.1(10) . . . . ?
C21 P1 C15 C20 178.9(5) . . . . ?
C21 P1 C15 C16 -1.3(7) . . . . ?
C21 P1 C1 C14 91.0(5) . . . . ?
C21 P1 C1 C2 -91.0(6) . . . . ?
C21 C22 C23 C24 0.1(16) . . . . ?
C22 C21 C26 C25 1.7(14) . . . . ?
C22 C23 C24 C25 -0.8(18) . . . . ?
C23 C24 C25 C26 2(2) . . . . ?
C24 C25 C26 C21 -2.5(18) . . . . ?
C26 C21 C22 C23 -0.5(13) . . . . ?
C1 P1 C15 C20 65.2(6) . . . . ?
C1 P1 C15 C16 -115.0(6) . . . . ?
C1 P1 C21 C22 15.3(7) . . . . ?
C1 P1 C21 C26 -163.8(6) . . . . ?
C1 C14 C13 C12 -173.3(7) . . . . ?
C1 C14 C9 C10 173.8(6) . . . . ?
C1 C14 C9 C8 -2.2(9) . . . . ?
C14 C1 C2 C7 15.6(9) . . . . ?
C14 C1 C2 C3 -160.5(6) . . . . ?
C14 C13 C12 C11 -1.7(11) . . . . ?
C14 C9 C8 P2 -169.2(5) . . . . ?
C14 C9 C8 C7 17.5(9) . . . . ?
C13 C14 C9 C10 -2.2(9) . . . . ?
C13 C14 C9 C8 -178.2(6) . . . . ?
C13 C12 C11 C10 0.5(11) . . . . ?
C12 C11 C10 C9 -0.2(11) . . . . ?
C11 C10 C9 C14 1.1(10) . . . . ?
C11 C10 C9 C8 177.0(7) . . . . ?
C10 C9 C8 P2 15.0(8) . . . . ?
C10 C9 C8 C7 -158.3(6) . . . . ?
C9 C14 C13 C12 2.6(10) . . . . ?
C9 C8 C7 C6 159.1(6) . . . . ?
C9 C8 C7 C2 -16.2(9) . . . . ?
C8 P2 C33 C38 28.4(7) . . . . ?
C8 P2 C33 C34 -154.2(5) . . . . ?
C8 P2 C27A C28A -60.4(7) . . . . ?
C8 P2 C27A C32A 121.2(6) . . . . ?
C8 C7 C6 C5 -176.0(7) . . . . ?
C8 C7 C2 C1 -0.5(9) . . . . ?
C8 C7 C2 C3 175.8(6) . . . . ?
C7 C6 C5 C4 0.8(12) . . . . ?
C6 C7 C2 C1 -176.1(6) . . . . ?
C6 C7 C2 C3 0.2(9) . . . . ?
C6 C5 C4 C3 -0.6(11) . . . . ?
C5 C4 C3 C2 0.2(11) . . . . ?
C4 C3 C2 C1 176.1(6) . . . . ?
C4 C3 C2 C7 0.0(10) . . . . ?
C2 C1 C14 C13 161.4(6) . . . . ?
C2 C1 C14 C9 -14.3(9) . . . . ?
C2 C7 C6 C5 -0.6(10) . . . . ?
C33 P2 C8 C9 41.2(6) . . . . ?
C33 P2 C8 C7 -145.6(5) . . . . ?
C33 P2 C27A C28A 56.3(6) . . . . ?
C33 P2 C27A C32A -122.1(6) . . . . ?
C33 C38 C37 C36 -0.6(15) . . . . ?
C38 C33 C34 C35 2.3(10) . . . . ?
C38 C37 C36 C35 2.4(15) . . . . ?
C37 C36 C35 C34 -1.8(13) . . . . ?
C36 C35 C34 C33 -0.5(11) . . . . ?
C34 C33 C38 C37 -1.7(12) . . . . ?
Au2A P2 C8 C9 -82.1(5) . . . . ?
Au2A P2 C8 C7 91.1(5) . . . . ?
Au2A P2 C33 C38 151.6(6) . . . . ?
Au2A P2 C33 C34 -31.0(6) . . . . ?
Au2A P2 C27A C28A 175.3(5) . . . . ?
Au2A P2 C27A C32A -3.1(7) . . . . ?
C27A P2 C8 C9 156.2(6) . . . . ?
C27A P2 C8 C7 -30.7(7) . . . . ?
C27A P2 C33 C38 -92.7(7) . . . . ?
C27A P2 C33 C34 84.8(6) . . . . ?
C27A C28A C29A C30A 0.0 . . . . ?
C28A C27A C32A C31A 0.0 . . . . ?
C28A C29A C30A C31A 0.0 . . . . ?
C29A C30A C31A C32A 0.0 . . . . ?
C30A C31A C32A C27A 0.0 . . . . ?
C32A C27A C28A C29A 0.0 . . . . ?
Au2B P2 C8 C9 -94.8(5) . . . . ?
Au2B P2 C8 C7 78.4(5) . . . . ?
Au2B P2 C33 C38 158.9(6) . . . . ?
Au2B P2 C33 C34 -23.7(6) . . . . ?
Au2B P2 C27A C28A -178.0(5) . . . . ?
Au2B P2 C27A C32A 3.7(6) . . . . ?
Au2B C39B C40B C46B 124(21) . . . . ?
C27B P2 C8 C9 138.9(7) . . . . ?
C27B P2 C8 C7 -47.9(7) . . . . ?
C27B P2 C33 C38 -74.7(8) . . . . ?
C27B P2 C33 C34 102.7(7) . . . . ?
C27B P2 C27A C28A -4.7(17) . . . . ?
C27B P2 C27A C32A 177(2) . . . . ?
C27B C32B C31B C30B 0.0 . . . . ?
C32B C27B C28B C29B 0.0 . . . . ?
C32B C31B C30B C29B 0.0 . . . . ?
C31B C30B C29B C28B 0.0 . . . . ?
C30B C29B C28B C27B 0.0 . . . . ?
C28B C27B C32B C31B 0.0 . . . . ?
C39B C40B C46B O2B 166(22) . . . . ?
C39B C40B C46B C47B 46(24) . . . . ?
C39B C40B C46B C48B -79(24) . . . . ?


####################################################################### 
# 
# 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_19
_database_code_depnum_ccdc_archive 'CCDC 1937322'
loop_
_audit_author_name
_audit_author_address
'Igor Koshevoy'
;University of Eastern Finland
Finland
;
_audit_update_record             
;
2019-06-29 deposited with the CCDC.	2019-08-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C56 H40 Au2 O2 P2, C H2 Cl2'
_chemical_formula_sum            'C57 H42 Au2 Cl2 O2 P2'
_chemical_formula_weight         1285.68

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'
Cl Cl 0.1484 0.1585 '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                   15.9763(14)
_cell_length_b                   16.2982(14)
_cell_length_c                   20.1413(17)
_cell_angle_alpha                90
_cell_angle_beta                 112.807(2)
_cell_angle_gamma                90
_cell_volume                     4834.5(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9973
_cell_measurement_theta_min      2.42
_cell_measurement_theta_max      27.84

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.766
_exptl_crystal_F_000             2488
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.422
_exptl_crystal_size_mid          0.156
_exptl_crystal_size_min          0.112
_exptl_absorpt_coefficient_mu    6.282
_shelx_estimated_absorpt_T_min   0.177
_shelx_estimated_absorpt_T_max   0.540
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.177
_exptl_absorpt_correction_T_max  0.540
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'


_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_measurement_device_type  'Bruker KAPPA APEX II CCD'
_diffrn_measurement_device       '62mm x 62mm CCD camera on κ-goniostat'
_diffrn_detector_area_resol_mean 16
_diffrn_measurement_method       'φ scans and ω scans with κ offset'
_diffrn_reflns_number            84585
_diffrn_reflns_av_unetI/netI     0.0552
_diffrn_reflns_av_R_equivalents  0.0549
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.436
_diffrn_reflns_theta_max         30.059
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             14010
_reflns_number_gt                10117
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'APEX2 (Bruker AXS, 2010)'
_computing_cell_refinement       'SAINT (Bruker AXS, 2009)'
_computing_data_reduction        'SAINT (Bruker AXS, 2009)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Diamond v.4.03 (Brandenburg, 2014)'
_computing_publication_material  'SHELXL-2014 (Sheldrick, 2014)'

_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)+(0.0210P)²+0.5558P] 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         14010
_refine_ls_number_parameters     627
_refine_ls_number_restraints     22
_refine_ls_R_factor_all          0.0617
_refine_ls_R_factor_gt           0.0315
_refine_ls_wR_factor_ref         0.0560
_refine_ls_wR_factor_gt          0.0498
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_restrained_S_all      1.015
_refine_ls_shift/su_max          0.005
_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
C1 C 0.3833(2) 0.6060(2) 0.44229(18) 0.0235(7) Uani 1 1 d . . . . .
C2 C 0.4134(2) 0.6710(2) 0.41438(19) 0.0303(8) Uani 1 1 d . . . . .
H2 H 0.4009 0.7253 0.4249 0.036 Uiso 1 1 calc R U . . .
C3 C 0.4616(2) 0.6589(2) 0.37117(19) 0.0293(8) Uani 1 1 d . . . . .
H3 H 0.4816 0.7049 0.3524 0.035 Uiso 1 1 calc R U . . .
C4 C 0.4809(2) 0.5806(2) 0.35496(17) 0.0227(7) Uani 1 1 d . . . . .
C5 C 0.4497(2) 0.51091(19) 0.38137(17) 0.0213(7) Uani 1 1 d . . . . .
C6 C 0.4654(2) 0.4298(2) 0.36479(18) 0.0268(8) Uani 1 1 d . . . . .
H6 H 0.4978 0.4205 0.3346 0.032 Uiso 1 1 calc R U . . .
C7 C 0.4350(3) 0.3645(2) 0.3913(2) 0.0351(9) Uani 1 1 d . . . . .
H7 H 0.4473 0.3103 0.3805 0.042 Uiso 1 1 calc R U . . .
C8 C 0.3853(3) 0.3775(2) 0.4348(2) 0.0333(9) Uani 1 1 d . . . . .
H8 H 0.3637 0.3318 0.4528 0.040 Uiso 1 1 calc R U . . .
C9 C 0.3679(2) 0.4544(2) 0.45099(19) 0.0280(8) Uani 1 1 d . . . . .
H9 H 0.3339 0.4621 0.4801 0.034 Uiso 1 1 calc R U . . .
C10 C 0.3996(2) 0.52348(19) 0.42526(17) 0.0206(7) Uani 1 1 d . . . . .
C11 C 0.5302(2) 0.57278(19) 0.30910(18) 0.0249(8) Uani 1 1 d . . . . .
C12 C 0.5699(2) 0.57377(19) 0.26886(18) 0.0249(8) Uani 1 1 d . . . . .
C13 C 0.3337(2) 0.6196(2) 0.48750(19) 0.0268(8) Uani 1 1 d . . . . .
C14 C 0.2935(2) 0.6299(2) 0.52588(18) 0.0251(8) Uani 1 1 d . . . . .
C15 C 0.4716(2) 0.64429(18) 0.79488(17) 0.0192(7) Uani 1 1 d . . . . .
C16 C 0.5386(2) 0.64147(19) 0.8479(2) 0.0266(8) Uani 1 1 d . . . . .
C17 C 0.6213(2) 0.6365(2) 0.91301(18) 0.0255(8) Uani 1 1 d . . . . .
C18 C 0.6736(2) 0.7051(2) 0.9448(2) 0.0345(9) Uani 1 1 d . . . . .
H18 H 0.6539 0.7577 0.9245 0.041 Uiso 1 1 calc R U . . .
C19 C 0.7527(2) 0.6985(2) 1.0044(2) 0.0367(9) Uani 1 1 d . . . . .
H19 H 0.7875 0.7462 1.0245 0.044 Uiso 1 1 calc R U . . .
C20 C 0.7825(2) 0.6217(2) 1.03579(19) 0.0298(8) Uani 1 1 d . . . . .
C21 C 0.7300(3) 0.5539(2) 1.0069(2) 0.0343(9) Uani 1 1 d . . . . .
H21 H 0.7479 0.5017 1.0288 0.041 Uiso 1 1 calc R U . . .
C22 C 0.6512(2) 0.5617(2) 0.9460(2) 0.0311(9) Uani 1 1 d . . . . .
H22 H 0.6163 0.5140 0.9261 0.037 Uiso 1 1 calc R U . . .
C23 C 0.7709(2) 0.3716(2) 0.18874(17) 0.0247(8) Uani 1 1 d . . . . .
C24 C 0.8111(3) 0.3107(2) 0.19130(19) 0.0333(9) Uani 1 1 d . . . . .
C25 C 0.8563(3) 0.2328(2) 0.19328(18) 0.0315(9) Uani 1 1 d . . . . .
C26 C 0.8155(3) 0.1593(2) 0.1999(2) 0.0410(10) Uani 1 1 d . . . . .
H26 H 0.7586 0.1603 0.2045 0.049 Uiso 1 1 calc R U . . .
C27 C 0.8570(3) 0.0846(2) 0.1997(2) 0.0475(11) Uani 1 1 d . . . . .
H27 H 0.8282 0.0350 0.2037 0.057 Uiso 1 1 calc R U . . .
C28 C 0.9397(3) 0.0823(2) 0.1938(2) 0.0425(11) Uani 1 1 d D . . . .
C29 C 0.9817(3) 0.1538(3) 0.1896(2) 0.0494(12) Uani 1 1 d . . . . .
H29 H 1.0394 0.1522 0.1864 0.059 Uiso 1 1 calc R U . . .
C30 C 0.9415(3) 0.2281(3) 0.1902(2) 0.0421(10) Uani 1 1 d . . . . .
H30 H 0.9725 0.2773 0.1884 0.051 Uiso 1 1 calc R U . . .
C31 C 0.1792(4) 0.5339(4) 0.5674(4) 0.021(3) Uani 0.511(6) 1 d G . P A 1
C32 C 0.2117(4) 0.4643(6) 0.6096(3) 0.037(3) Uani 0.511(6) 1 d G . P A 1
H32 H 0.2654 0.4674 0.6520 0.044 Uiso 0.511(6) 1 calc R U P A 1
C33 C 0.1655(5) 0.3903(5) 0.5895(4) 0.047(3) Uani 0.511(6) 1 d G . P A 1
H33 H 0.1877 0.3428 0.6183 0.057 Uiso 0.511(6) 1 calc R U P A 1
C34 C 0.0869(5) 0.3858(3) 0.5273(5) 0.042(3) Uani 0.511(6) 1 d G U P A 1
H34 H 0.0553 0.3352 0.5136 0.050 Uiso 0.511(6) 1 calc R U P A 1
C35 C 0.0544(4) 0.4553(3) 0.4852(3) 0.043(2) Uani 0.511(6) 1 d G . P A 1
H35 H 0.0006 0.4523 0.4427 0.052 Uiso 0.511(6) 1 calc R U P A 1
C36 C 0.1005(4) 0.5294(3) 0.5053(3) 0.034(2) Uani 0.511(6) 1 d G . P A 1
H36 H 0.0783 0.5769 0.4765 0.041 Uiso 0.511(6) 1 calc R U P A 1
C131 C 0.1143(6) 0.3680(3) 0.5307(5) 0.041(3) Uani 0.489(6) 1 d G . P A 2
H131 H 0.0873 0.3153 0.5186 0.049 Uiso 0.489(6) 1 calc R U P A 2
C132 C 0.1474(6) 0.3945(6) 0.6019(4) 0.041(3) Uani 0.489(6) 1 d G . P A 2
H132 H 0.1431 0.3599 0.6384 0.049 Uiso 0.489(6) 1 calc R U P A 2
C133 C 0.1869(6) 0.4717(7) 0.6196(3) 0.033(3) Uani 0.489(6) 1 d G . P A 2
H133 H 0.2095 0.4898 0.6683 0.040 Uiso 0.489(6) 1 calc R U P A 2
C134 C 0.1932(5) 0.5223(5) 0.5662(4) 0.022(3) Uani 0.489(6) 1 d G . P A 2
C136 C 0.1600(4) 0.4958(3) 0.4951(3) 0.033(2) Uani 0.489(6) 1 d G . P A 2
H136 H 0.1643 0.5305 0.4586 0.039 Uiso 0.489(6) 1 calc R U P A 2
C135 C 0.1206(4) 0.4187(3) 0.4774(3) 0.043(2) Uani 0.489(6) 1 d G . P A 2
H135 H 0.0979 0.4006 0.4287 0.051 Uiso 0.489(6) 1 calc R U P A 2
C37 C 0.1598(2) 0.70363(19) 0.56713(17) 0.0215(7) Uani 1 1 d . . . . .
C38 C 0.1214(2) 0.7216(2) 0.61698(19) 0.0277(8) Uani 1 1 d . . . . .
H38 H 0.1431 0.6948 0.6624 0.033 Uiso 1 1 calc R U . . .
C39 C 0.0521(2) 0.7781(2) 0.6005(2) 0.0328(9) Uani 1 1 d . . . . .
H39 H 0.0253 0.7891 0.6342 0.039 Uiso 1 1 calc R U . . .
C40 C 0.0214(2) 0.8186(2) 0.5355(2) 0.0322(9) Uani 1 1 d . . . . .
H40 H -0.0263 0.8576 0.5243 0.039 Uiso 1 1 calc R U . . .
C41 C 0.0605(2) 0.8024(2) 0.4864(2) 0.0338(9) Uani 1 1 d . . . . .
H41 H 0.0402 0.8313 0.4419 0.041 Uiso 1 1 calc R U . . .
C42 C 0.1291(2) 0.7444(2) 0.50154(18) 0.0293(8) Uani 1 1 d . . . . .
H42 H 0.1548 0.7327 0.4672 0.035 Uiso 1 1 calc R U . . .
C43 C 0.6843(2) 0.67312(19) 0.22646(18) 0.0229(7) Uani 1 1 d . . . . .
C44 C 0.7509(2) 0.6818(2) 0.1994(2) 0.0332(9) Uani 1 1 d . . . . .
H44 H 0.7615 0.6388 0.1718 0.040 Uiso 1 1 calc R U . . .
C45 C 0.8023(3) 0.7529(2) 0.2123(2) 0.0431(10) Uani 1 1 d . . . . .
H45 H 0.8467 0.7595 0.1921 0.052 Uiso 1 1 calc R U . . .
C46 C 0.7891(3) 0.8136(2) 0.2541(2) 0.0438(11) Uani 1 1 d . . . . .
H46 H 0.8258 0.8615 0.2644 0.053 Uiso 1 1 calc R U . . .
C47 C 0.7227(3) 0.8054(2) 0.2813(2) 0.0493(12) Uani 1 1 d . . . . .
H47 H 0.7135 0.8479 0.3100 0.059 Uiso 1 1 calc R U . . .
C48 C 0.6694(3) 0.7356(2) 0.2669(2) 0.0375(9) Uani 1 1 d . . . . .
H48 H 0.6227 0.7306 0.2849 0.045 Uiso 1 1 calc R U . . .
C49 C 0.5169(2) 0.60962(18) 0.12319(18) 0.0215(7) Uani 1 1 d . . . . .
C50 C 0.4411(2) 0.64670(19) 0.1283(2) 0.0277(8) Uani 1 1 d . . . . .
H50 H 0.4402 0.6582 0.1743 0.033 Uiso 1 1 calc R U . . .
C51 C 0.3669(2) 0.6668(2) 0.0666(2) 0.0304(9) Uani 1 1 d . . . . .
H51 H 0.3152 0.6919 0.0702 0.037 Uiso 1 1 calc R U . . .
C52 C 0.3681(3) 0.6504(2) 0.0000(2) 0.0321(9) Uani 1 1 d . . . . .
H52 H 0.3165 0.6630 -0.0422 0.039 Uiso 1 1 calc R U . . .
C53 C 0.4438(3) 0.6158(2) -0.00587(19) 0.0308(9) Uani 1 1 d . . . . .
H53 H 0.4450 0.6061 -0.0520 0.037 Uiso 1 1 calc R U . . .
C54 C 0.5180(2) 0.5952(2) 0.05584(19) 0.0267(8) Uani 1 1 d . . . . .
H54 H 0.5700 0.5710 0.0519 0.032 Uiso 1 1 calc R U . . .
C55 C 0.8987(3) 0.5417(3) 1.1225(2) 0.0493(12) Uani 1 1 d . . . . .
H55A H 0.9557 0.5486 1.1645 0.074 Uiso 1 1 calc R U . . .
H55B H 0.8550 0.5121 1.1369 0.074 Uiso 1 1 calc R U . . .
H55C H 0.9099 0.5104 1.0853 0.074 Uiso 1 1 calc R U . . .
C56 C 1.0526(5) -0.0079(6) 0.1839(5) 0.054(3) Uani 0.470(8) 1 d D U P B 1
H56A H 1.0633 -0.0672 0.1874 0.081 Uiso 0.470(8) 1 calc R U P B 1
H56B H 1.0459 0.0111 0.1359 0.081 Uiso 0.470(8) 1 calc R U P B 1
H56C H 1.1042 0.0202 0.2205 0.081 Uiso 0.470(8) 1 calc R U P B 1
C156 C 0.9590(7) -0.0654(4) 0.1995(6) 0.072(4) Uani 0.530(8) 1 d D . P B 2
H15A H 1.0068 -0.1015 0.1972 0.109 Uiso 0.530(8) 1 calc R U P B 2
H15B H 0.9527 -0.0733 0.2456 0.109 Uiso 0.530(8) 1 calc R U P B 2
H15C H 0.9013 -0.0785 0.1599 0.109 Uiso 0.530(8) 1 calc R U P B 2
C57 C 0.2050(3) 0.5524(3) 0.1270(3) 0.0554(13) Uani 1 1 d . . . . .
H57A H 0.2266 0.5595 0.0875 0.066 Uiso 1 1 calc R U . . .
H57B H 0.1791 0.6054 0.1338 0.066 Uiso 1 1 calc R U . . .
O1 O 0.86237(17) 0.62109(17) 1.09458(13) 0.0387(7) Uani 1 1 d . . . . .
O2 O 0.9797(3) 0.0083(2) 0.19404(18) 0.0850(13) Uani 1 1 d D U . . .
P1 P 0.24712(6) 0.62496(5) 0.59137(5) 0.02197(19) Uani 1 1 d . . . . .
P2 P 0.61499(6) 0.58088(5) 0.20267(5) 0.02144(19) Uani 1 1 d . . . . .
Au1 Au 0.35955(2) 0.63560(2) 0.70267(2) 0.02109(4) Uani 1 1 d . . . . .
Au2 Au 0.69415(2) 0.46855(2) 0.19323(2) 0.02320(4) Uani 1 1 d . . . . .
Cl1 Cl 0.29689(8) 0.52863(7) 0.20525(7) 0.0587(3) Uani 1 1 d . . . . .
Cl2 Cl 0.11960(8) 0.47845(7) 0.10174(7) 0.0624(3) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.370(5) . ?
C1 C13 1.437(5) . ?
C1 C10 1.437(4) . ?
C2 C3 1.382(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.381(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.424(4) . ?
C4 C11 1.433(5) . ?
C5 C6 1.409(4) . ?
C5 C10 1.419(4) . ?
C6 C7 1.363(5) . ?
C6 H6 0.9500 . ?
C7 C8 1.406(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.351(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.413(4) . ?
C9 H9 0.9500 . ?
C11 C12 1.206(5) . ?
C12 P2 1.748(4) . ?
C13 C14 1.192(5) . ?
C14 P1 1.748(4) . ?
C15 C16 1.184(4) . ?
C15 Au1 2.024(3) . ?
C16 C17 1.459(5) . ?
C17 C22 1.381(5) . ?
C17 C18 1.394(5) . ?
C18 C19 1.368(5) . ?
C18 H18 0.9500 . ?
C19 C20 1.400(5) . ?
C19 H19 0.9500 . ?
C20 O1 1.363(4) . ?
C20 C21 1.373(5) . ?
C21 C22 1.382(5) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C24 1.172(5) . ?
C23 Au2 2.024(3) . ?
C24 C25 1.454(5) . ?
C25 C30 1.387(5) . ?
C25 C26 1.396(5) . ?
C26 C27 1.386(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.371(6) . ?
C27 H27 0.9500 . ?
C28 C29 1.364(6) . ?
C28 O2 1.364(4) . ?
C29 C30 1.374(5) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.3900 . ?
C31 C36 1.3900 . ?
C31 P1 1.791(6) . ?
C32 C33 1.3900 . ?
C32 H32 0.9500 . ?
C33 C34 1.3900 . ?
C33 H33 0.9500 . ?
C34 C35 1.3900 . ?
C34 H34 0.9500 . ?
C35 C36 1.3900 . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C131 C132 1.3900 . ?
C131 C135 1.3900 . ?
C131 H131 0.9500 . ?
C132 C133 1.3900 . ?
C132 H132 0.9500 . ?
C133 C134 1.3900 . ?
C133 H133 0.9500 . ?
C134 C136 1.3900 . ?
C134 P1 1.860(6) . ?
C136 C135 1.3900 . ?
C136 H136 0.9500 . ?
C135 H135 0.9500 . ?
C37 C42 1.388(4) . ?
C37 C38 1.396(4) . ?
C37 P1 1.816(3) . ?
C38 C39 1.378(5) . ?
C38 H38 0.9500 . ?
C39 C40 1.377(5) . ?
C39 H39 0.9500 . ?
C40 C41 1.384(5) . ?
C40 H40 0.9500 . ?
C41 C42 1.389(5) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 C44 1.377(5) . ?
C43 C48 1.381(5) . ?
C43 P2 1.818(3) . ?
C44 C45 1.387(5) . ?
C44 H44 0.9500 . ?
C45 C46 1.368(5) . ?
C45 H45 0.9500 . ?
C46 C47 1.375(5) . ?
C46 H46 0.9500 . ?
C47 C48 1.383(5) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C49 C54 1.384(5) . ?
C49 C50 1.393(5) . ?
C49 P2 1.815(3) . ?
C50 C51 1.384(5) . ?
C50 H50 0.9500 . ?
C51 C52 1.374(5) . ?
C51 H51 0.9500 . ?
C52 C53 1.381(5) . ?
C52 H52 0.9500 . ?
C53 C54 1.386(5) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C55 O1 1.440(5) . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 O2 1.287(6) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C156 O2 1.261(6) . ?
C156 H15A 0.9800 . ?
C156 H15B 0.9800 . ?
C156 H15C 0.9800 . ?
C57 Cl1 1.730(4) . ?
C57 Cl2 1.742(4) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
P1 Au1 2.2715(9) . ?
P2 Au2 2.2745(9) . ?
Au1 Au2 3.0673(3) 3_666 ?
Au2 Au1 3.0673(2) 3_666 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 C13 120.6(3) . . ?
C2 C1 C10 120.0(3) . . ?
C13 C1 C10 119.4(3) . . ?
C1 C2 C3 121.2(3) . . ?
C1 C2 H2 119.4 . . ?
C3 C2 H2 119.4 . . ?
C4 C3 C2 120.8(3) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
C3 C4 C5 120.4(3) . . ?
C3 C4 C11 117.7(3) . . ?
C5 C4 C11 121.9(3) . . ?
C6 C5 C10 118.6(3) . . ?
C6 C5 C4 122.7(3) . . ?
C10 C5 C4 118.8(3) . . ?
C7 C6 C5 121.1(3) . . ?
C7 C6 H6 119.5 . . ?
C5 C6 H6 119.5 . . ?
C6 C7 C8 120.0(3) . . ?
C6 C7 H7 120.0 . . ?
C8 C7 H7 120.0 . . ?
C9 C8 C7 120.5(3) . . ?
C9 C8 H8 119.7 . . ?
C7 C8 H8 119.7 . . ?
C8 C9 C10 120.9(3) . . ?
C8 C9 H9 119.5 . . ?
C10 C9 H9 119.5 . . ?
C9 C10 C5 118.9(3) . . ?
C9 C10 C1 122.3(3) . . ?
C5 C10 C1 118.9(3) . . ?
C12 C11 C4 173.9(3) . . ?
C11 C12 P2 172.8(3) . . ?
C14 C13 C1 178.8(4) . . ?
C13 C14 P1 167.2(3) . . ?
C16 C15 Au1 173.5(3) . . ?
C15 C16 C17 179.0(4) . . ?
C22 C17 C18 116.9(3) . . ?
C22 C17 C16 120.4(3) . . ?
C18 C17 C16 122.7(3) . . ?
C19 C18 C17 121.7(3) . . ?
C19 C18 H18 119.2 . . ?
C17 C18 H18 119.2 . . ?
C18 C19 C20 120.2(3) . . ?
C18 C19 H19 119.9 . . ?
C20 C19 H19 119.9 . . ?
O1 C20 C21 125.0(3) . . ?
O1 C20 C19 116.1(3) . . ?
C21 C20 C19 118.9(3) . . ?
C20 C21 C22 120.0(3) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C17 C22 C21 122.3(3) . . ?
C17 C22 H22 118.9 . . ?
C21 C22 H22 118.9 . . ?
C24 C23 Au2 172.0(3) . . ?
C23 C24 C25 176.9(4) . . ?
C30 C25 C26 117.3(4) . . ?
C30 C25 C24 122.2(4) . . ?
C26 C25 C24 120.5(4) . . ?
C27 C26 C25 120.8(4) . . ?
C27 C26 H26 119.6 . . ?
C25 C26 H26 119.6 . . ?
C28 C27 C26 120.1(4) . . ?
C28 C27 H27 119.9 . . ?
C26 C27 H27 119.9 . . ?
C29 C28 O2 121.0(4) . . ?
C29 C28 C27 119.7(4) . . ?
O2 C28 C27 119.3(4) . . ?
C28 C29 C30 120.6(4) . . ?
C28 C29 H29 119.7 . . ?
C30 C29 H29 119.7 . . ?
C29 C30 C25 121.3(4) . . ?
C29 C30 H30 119.4 . . ?
C25 C30 H30 119.4 . . ?
C32 C31 C36 120.0 . . ?
C32 C31 P1 117.9(4) . . ?
C36 C31 P1 121.9(4) . . ?
C31 C32 C33 120.0 . . ?
C31 C32 H32 120.0 . . ?
C33 C32 H32 120.0 . . ?
C34 C33 C32 120.0 . . ?
C34 C33 H33 120.0 . . ?
C32 C33 H33 120.0 . . ?
C33 C34 C35 120.0 . . ?
C33 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
C36 C35 C34 120.0 . . ?
C36 C35 H35 120.0 . . ?
C34 C35 H35 120.0 . . ?
C35 C36 C31 120.0 . . ?
C35 C36 H36 120.0 . . ?
C31 C36 H36 120.0 . . ?
C132 C131 C135 120.0 . . ?
C132 C131 H131 120.0 . . ?
C135 C131 H131 120.0 . . ?
C131 C132 C133 120.0 . . ?
C131 C132 H132 120.0 . . ?
C133 C132 H132 120.0 . . ?
C134 C133 C132 120.0 . . ?
C134 C133 H133 120.0 . . ?
C132 C133 H133 120.0 . . ?
C133 C134 C136 120.0 . . ?
C133 C134 P1 119.2(5) . . ?
C136 C134 P1 120.8(5) . . ?
C135 C136 C134 120.0 . . ?
C135 C136 H136 120.0 . . ?
C134 C136 H136 120.0 . . ?
C136 C135 C131 120.0 . . ?
C136 C135 H135 120.0 . . ?
C131 C135 H135 120.0 . . ?
C42 C37 C38 119.5(3) . . ?
C42 C37 P1 123.0(3) . . ?
C38 C37 P1 117.4(2) . . ?
C39 C38 C37 120.2(3) . . ?
C39 C38 H38 119.9 . . ?
C37 C38 H38 119.9 . . ?
C40 C39 C38 120.5(3) . . ?
C40 C39 H39 119.8 . . ?
C38 C39 H39 119.8 . . ?
C39 C40 C41 119.7(3) . . ?
C39 C40 H40 120.2 . . ?
C41 C40 H40 120.2 . . ?
C40 C41 C42 120.6(3) . . ?
C40 C41 H41 119.7 . . ?
C42 C41 H41 119.7 . . ?
C37 C42 C41 119.5(3) . . ?
C37 C42 H42 120.2 . . ?
C41 C42 H42 120.2 . . ?
C44 C43 C48 119.6(3) . . ?
C44 C43 P2 117.7(3) . . ?
C48 C43 P2 122.6(3) . . ?
C43 C44 C45 120.3(3) . . ?
C43 C44 H44 119.9 . . ?
C45 C44 H44 119.9 . . ?
C46 C45 C44 119.9(4) . . ?
C46 C45 H45 120.0 . . ?
C44 C45 H45 120.0 . . ?
C45 C46 C47 120.1(4) . . ?
C45 C46 H46 119.9 . . ?
C47 C46 H46 119.9 . . ?
C46 C47 C48 120.3(4) . . ?
C46 C47 H47 119.9 . . ?
C48 C47 H47 119.9 . . ?
C43 C48 C47 119.8(4) . . ?
C43 C48 H48 120.1 . . ?
C47 C48 H48 120.1 . . ?
C54 C49 C50 119.3(3) . . ?
C54 C49 P2 119.1(3) . . ?
C50 C49 P2 121.7(3) . . ?
C51 C50 C49 120.1(3) . . ?
C51 C50 H50 120.0 . . ?
C49 C50 H50 120.0 . . ?
C52 C51 C50 120.1(3) . . ?
C52 C51 H51 120.0 . . ?
C50 C51 H51 120.0 . . ?
C51 C52 C53 120.4(3) . . ?
C51 C52 H52 119.8 . . ?
C53 C52 H52 119.8 . . ?
C52 C53 C54 119.7(3) . . ?
C52 C53 H53 120.1 . . ?
C54 C53 H53 120.1 . . ?
C49 C54 C53 120.4(3) . . ?
C49 C54 H54 119.8 . . ?
C53 C54 H54 119.8 . . ?
O1 C55 H55A 109.5 . . ?
O1 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
O1 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
O2 C56 H56A 109.5 . . ?
O2 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
O2 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
O2 C156 H15A 109.5 . . ?
O2 C156 H15B 109.5 . . ?
H15A C156 H15B 109.5 . . ?
O2 C156 H15C 109.5 . . ?
H15A C156 H15C 109.5 . . ?
H15B C156 H15C 109.5 . . ?
Cl1 C57 Cl2 113.8(3) . . ?
Cl1 C57 H57A 108.8 . . ?
Cl2 C57 H57A 108.8 . . ?
Cl1 C57 H57B 108.8 . . ?
Cl2 C57 H57B 108.8 . . ?
H57A C57 H57B 107.7 . . ?
C20 O1 C55 116.5(3) . . ?
C156 O2 C28 134.8(6) . . ?
C56 O2 C28 129.2(6) . . ?
C14 P1 C31 103.0(3) . . ?
C14 P1 C37 105.72(16) . . ?
C31 P1 C37 101.0(3) . . ?
C14 P1 C134 97.1(3) . . ?
C37 P1 C134 109.6(3) . . ?
C14 P1 Au1 109.68(12) . . ?
C31 P1 Au1 119.6(2) . . ?
C37 P1 Au1 116.26(11) . . ?
C134 P1 Au1 116.3(2) . . ?
C12 P2 C49 102.66(16) . . ?
C12 P2 C43 104.06(16) . . ?
C49 P2 C43 104.40(14) . . ?
C12 P2 Au2 114.68(11) . . ?
C49 P2 Au2 116.89(11) . . ?
C43 P2 Au2 112.71(11) . . ?
C15 Au1 P1 172.19(9) . . ?
C15 Au1 Au2 78.09(9) . 3_666 ?
P1 Au1 Au2 107.98(2) . 3_666 ?
C23 Au2 P2 176.83(10) . . ?
C23 Au2 Au1 86.17(10) . 3_666 ?
P2 Au2 Au1 94.38(2) . 3_666 ?

_refine_diff_density_max         0.986
_refine_diff_density_min         -0.953
_refine_diff_density_rms         0.141


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

data_Complex_4
_database_code_depnum_ccdc_archive 'CCDC 993388'
_audit_update_record             
;
2015-03-17 deposited with the CCDC.	2019-08-08 downloaded from the CCDC.
;
_audit_creation_date             2014-03-21
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.02.28 svn.r2899 for OlexSys, GUI svn.r4781)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C54 H50 Au2 O2 P2, C H2 Cl2'
_chemical_formula_sum            'C55 H52 Au2 Cl2 O2 P2'
_chemical_formula_weight         1271.74
_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'
Cl Cl 0.3639 0.7018 '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           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   9.3433(5)
_cell_length_b                   15.2120(9)
_cell_length_c                   35.4426(17)
_cell_angle_alpha                90
_cell_angle_beta                 105.2850(10)
_cell_angle_gamma                90
_cell_volume                     4859.3(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    18458
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      77.8830
_cell_measurement_theta_min      2.9025
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    13.140
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.38257
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow-green
_exptl_crystal_density_diffrn    1.738
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2480
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.07
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0331
_diffrn_reflns_av_unetI/netI     0.0240
_diffrn_reflns_Laue_measured_fraction_full 0.959
_diffrn_reflns_Laue_measured_fraction_max 0.963
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            41740
_diffrn_reflns_point_group_measured_fraction_full 0.963
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         67.488
_diffrn_reflns_theta_min         3.180
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.3829
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -47.00   35.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.1287   38.0000   30.0000 82

#__ type_ start__ end____ width___ exp.time_
  2 omega  -65.00  -19.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.1287  126.0000   60.0000 46

#__ type_ start__ end____ width___ exp.time_
  3 omega  -27.00   -1.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.1287   38.0000 -180.0000 26

#__ type_ start__ end____ width___ exp.time_
  4 omega -116.00  -88.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      -61.5000 -112.0000  150.0000 28

#__ type_ start__ end____ width___ exp.time_
  5 omega  105.00  163.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  112.0000  150.0000 58

#__ type_ start__ end____ width___ exp.time_
  6 omega   64.00  109.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -95.0000   30.0000 45

#__ type_ start__ end____ width___ exp.time_
  7 omega   30.00   94.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -95.0000 -150.0000 64

#__ type_ start__ end____ width___ exp.time_
  8 omega   60.00   85.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -45.0000 -180.0000 25

#__ type_ start__ end____ width___ exp.time_
  9 omega   46.00   84.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -30.0000 -150.0000 38

#__ type_ start__ end____ width___ exp.time_
 10 omega  137.00  176.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  112.0000   90.0000 39

#__ type_ start__ end____ width___ exp.time_
 11 omega   73.00   98.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -45.0000   90.0000 25

#__ type_ start__ end____ width___ exp.time_
 12 omega  111.00  172.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   61.0000  -60.0000 61

#__ type_ start__ end____ width___ exp.time_
 13 omega   56.00   81.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -61.0000 -180.0000 25

#__ type_ start__ end____ width___ exp.time_
 14 omega  110.00  142.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  112.0000 -150.0000 32

#__ type_ start__ end____ width___ exp.time_
 15 omega   68.00   95.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -51.0000   -9.9928 27

#__ type_ start__ end____ width___ exp.time_
 16 omega  114.00  140.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -61.0000 -180.0000 26

#__ type_ start__ end____ width___ exp.time_
 17 omega   40.00   75.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -45.0000   60.0000 35

#__ type_ start__ end____ width___ exp.time_
 18 omega  116.00  142.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -61.0000  150.0000 26

#__ type_ start__ end____ width___ exp.time_
 19 omega   75.00  100.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  178.0000 -150.0000 25

#__ type_ start__ end____ width___ exp.time_
 20 omega  117.00  143.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  178.0000 -150.0000 26

#__ type_ start__ end____ width___ exp.time_
 21 omega   49.00   90.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -30.0000  -90.0000 41

#__ type_ start__ end____ width___ exp.time_
 22 omega   41.00   75.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -       41.1287 -126.0000   60.0000 34

#__ type_ start__ end____ width___ exp.time_
 23 omega -123.00  -78.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      -61.5000  -79.0000    4.0000 45

#__ type_ start__ end____ width___ exp.time_
 24 omega  134.00  160.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   18.0000  109.6688 26

#__ type_ start__ end____ width___ exp.time_
 25 omega   35.00   61.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000 -112.0000 -150.0000 26

#__ type_ start__ end____ width___ exp.time_
 26 omega   70.00   96.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000 -112.0000 -150.0000 26

#__ type_ start__ end____ width___ exp.time_
 27 omega   83.00  116.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   77.0000  -90.0000 33

#__ type_ start__ end____ width___ exp.time_
 28 omega   73.00   99.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  178.0000  150.0000 26

#__ type_ start__ end____ width___ exp.time_
 29 omega   62.00  109.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -95.0000  120.0000 47

#__ type_ start__ end____ width___ exp.time_
 30 omega   51.00   77.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000 -112.0000  120.0000 26

#__ type_ start__ end____ width___ exp.time_
 31 omega   85.00  110.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000 -112.0000  120.0000 25

#__ type_ start__ end____ width___ exp.time_
 32 omega   53.00   95.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   15.0000  -30.0000 42

#__ type_ start__ end____ width___ exp.time_
 33 omega  152.00  177.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   15.0000  -30.0000 25

#__ type_ start__ end____ width___ exp.time_
 34 omega  150.00  176.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   77.0000  -90.0000 26

#__ type_ start__ end____ width___ exp.time_
 35 omega   96.00  146.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   30.0000    0.0000 50

#__ type_ start__ end____ width___ exp.time_
 36 omega   69.00   95.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   18.0000  109.6688 26

#__ type_ start__ end____ width___ exp.time_
 37 omega   35.00   61.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000 -112.0000   90.0000 26

#__ type_ start__ end____ width___ exp.time_
 38 omega   53.00   78.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   15.0000  120.0000 25

#__ type_ start__ end____ width___ exp.time_
 39 omega  153.00  178.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   15.0000  120.0000 25

#__ type_ start__ end____ width___ exp.time_
 40 omega  113.00  154.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  112.0000  -30.0000 41

#__ type_ start__ end____ width___ exp.time_
 41 omega  153.00  178.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  112.0000   30.0000 25

#__ type_ start__ end____ width___ exp.time_
 42 omega  104.00  140.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  112.0000   60.0000 36

#__ type_ start__ end____ width___ exp.time_
 43 omega   57.00   83.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000 -112.0000 -120.0000 26

#__ type_ start__ end____ width___ exp.time_
 44 omega  100.00  125.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   45.0000  150.0000 25

#__ type_ start__ end____ width___ exp.time_
 45 omega  145.00  170.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000   61.0000   60.0000 25

#__ type_ start__ end____ width___ exp.time_
 46 omega   99.00  125.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000  -77.0000 -120.0000 26

#__ type_ start__ end____ width___ exp.time_
 47 omega   49.00   75.00   1.0000   12.0000
omega____ theta____ kappa____ phi______ frames
    -      113.0000    9.0000   56.3692 26
;
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.1103439000
_diffrn_orient_matrix_UB_12      -0.0670526000
_diffrn_orient_matrix_UB_13      0.0148215000
_diffrn_orient_matrix_UB_21      0.0322052000
_diffrn_orient_matrix_UB_22      -0.0602299000
_diffrn_orient_matrix_UB_23      -0.0350821000
_diffrn_orient_matrix_UB_31      0.1181629000
_diffrn_orient_matrix_UB_32      -0.0462021000
_diffrn_orient_matrix_UB_33      0.0240973000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7781
_reflns_number_total             8435
_reflns_odcompleteness_completeness 91.72
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     80.95
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         3.618
_refine_diff_density_min         -1.853
_refine_diff_density_rms         0.113
_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     568
_refine_ls_number_reflns         8435
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0308
_refine_ls_R_factor_gt           0.0280
_refine_ls_restrained_S_all      1.026
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0367P)²+11.5814P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0690
_refine_ls_wR_factor_ref         0.0707
_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) groups
2.a Riding coordinates:
 O1(H1), O2(H2)
2.b Secondary CH2 refined with riding coordinates:
 C44(H44A,H44B), C45(H45A,H45B), C46(H46A,H46B), C47(H47A,H47B), C48(H48A,
 H48B), C50(H50A,H50B), C51(H51A,H51B), C52(H52A,H52B), C53(H53A,H53B),
 C54(H54A,H54B), C55(H55A,H55B)
2.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C10(H10), C11(H11), C12(H12), C13(H13),
 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),
 C34(H34), C35(H35), C36(H36), C37(H37), C38(H38)
;
_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 -1.11194(2) 0.12781(2) -0.45303(2) 0.01612(6) Uani 1 1 d . . . . .
Au2 Au -0.77380(2) 0.13019(2) -0.18439(2) 0.02056(6) Uani 1 1 d . . . . .
P1 P -0.94120(9) 0.03841(6) -0.41271(2) 0.01429(17) Uani 1 1 d . . . . .
P2 P -0.75096(10) 0.20171(6) -0.23898(2) 0.01610(17) Uani 1 1 d . . . . .
O1 O -1.4398(4) 0.4013(2) -0.52545(9) 0.0329(7) Uani 1 1 d . . . . .
H1 H -1.4436 0.4003 -0.5026 0.049 Uiso 1 1 d R . . . .
O2 O -0.6025(4) -0.0489(2) -0.05513(9) 0.0341(7) Uani 1 1 d . . . . .
H2 H -0.5692 0.0006 -0.0493 0.051 Uiso 1 1 d R . . . .
C1 C -0.8959(4) 0.0616(2) -0.36013(10) 0.0149(7) Uani 1 1 d . . . . .
C2 C -1.0069(4) 0.0993(2) -0.34485(10) 0.0154(7) Uani 1 1 d . . . . .
C3 C -1.1615(4) 0.0967(3) -0.36551(10) 0.0194(7) Uani 1 1 d . . . . .
H3 H -1.1891 0.0732 -0.3906 0.023 Uiso 1 1 calc R . . . .
C4 C -1.2678(4) 0.1274(3) -0.34949(12) 0.0248(8) Uani 1 1 d . . . . .
H4 H -1.3672 0.1247 -0.3634 0.030 Uiso 1 1 calc R . . . .
C5 C -1.2272(4) 0.1635(3) -0.31152(11) 0.0222(8) Uani 1 1 d . . . . .
H5 H -1.3007 0.1830 -0.3003 0.027 Uiso 1 1 calc R . . . .
C6 C -1.0818(4) 0.1703(3) -0.29097(11) 0.0210(7) Uani 1 1 d . . . . .
H6 H -1.0583 0.1967 -0.2665 0.025 Uiso 1 1 calc R . . . .
C7 C -0.9652(4) 0.1378(2) -0.30621(10) 0.0158(7) Uani 1 1 d . . . . .
C8 C -0.8145(4) 0.1369(2) -0.28422(10) 0.0172(7) Uani 1 1 d . . . . .
C9 C -0.7130(4) 0.0812(2) -0.29577(10) 0.0157(7) Uani 1 1 d . . . . .
C10 C -0.5738(4) 0.0559(2) -0.26973(11) 0.0200(7) Uani 1 1 d . . . . .
H10 H -0.5485 0.0779 -0.2444 0.024 Uiso 1 1 calc R . . . .
C11 C -0.4784(4) 0.0015(3) -0.28074(11) 0.0218(8) Uani 1 1 d . . . . .
H11 H -0.3888 -0.0134 -0.2632 0.026 Uiso 1 1 calc R . . . .
C12 C -0.5155(4) -0.0330(3) -0.31936(11) 0.0215(8) Uani 1 1 d . . . . .
H12 H -0.4488 -0.0695 -0.3272 0.026 Uiso 1 1 calc R . . . .
C13 C -0.6484(4) -0.0129(2) -0.34517(10) 0.0179(7) Uani 1 1 d . . . . .
H13 H -0.6708 -0.0368 -0.3702 0.021 Uiso 1 1 calc R . . . .
C14 C -0.7537(4) 0.0438(2) -0.33473(10) 0.0142(6) Uani 1 1 d . . . . .
C15 C -0.9783(4) -0.0784(3) -0.41880(11) 0.0189(7) Uani 1 1 d . . . . .
C16 C -1.0201(6) -0.1134(3) -0.45685(14) 0.0330(10) Uani 1 1 d . . . . .
H16 H -1.0331 -0.0762 -0.4783 0.040 Uiso 1 1 calc R . . . .
C17 C -1.0420(6) -0.2032(4) -0.46246(16) 0.0422(12) Uani 1 1 d . . . . .
H17 H -1.0652 -0.2265 -0.4876 0.051 Uiso 1 1 calc R . . . .
C18 C -1.0295(5) -0.2578(3) -0.43093(18) 0.0429(12) Uani 1 1 d . . . . .
H18 H -1.0428 -0.3180 -0.4348 0.051 Uiso 1 1 calc R . . . .
C19 C -0.9970(5) -0.2236(3) -0.39345(15) 0.0370(11) Uani 1 1 d . . . . .
H19 H -0.9947 -0.2605 -0.3724 0.044 Uiso 1 1 calc R . . . .
C20 C -0.9678(4) -0.1343(3) -0.38721(13) 0.0262(8) Uani 1 1 d . . . . .
H20 H -0.9412 -0.1120 -0.3619 0.031 Uiso 1 1 calc R . . . .
C21 C -0.7744(4) 0.0625(3) -0.42786(10) 0.0184(7) Uani 1 1 d . . . . .
C22 C -0.7208(5) 0.1487(3) -0.42265(12) 0.0274(8) Uani 1 1 d . . . . .
H22 H -0.7641 0.1892 -0.4094 0.033 Uiso 1 1 calc R . . . .
C23 C -0.6033(5) 0.1737(3) -0.43720(13) 0.0354(10) Uani 1 1 d . . . . .
H23 H -0.5666 0.2308 -0.4335 0.042 Uiso 1 1 calc R . . . .
C24 C -0.5409(5) 0.1131(4) -0.45730(15) 0.0410(12) Uani 1 1 d . . . . .
H24 H -0.4618 0.1293 -0.4671 0.049 Uiso 1 1 calc R . . . .
C25 C -0.5957(7) 0.0293(4) -0.46268(17) 0.0473(14) Uani 1 1 d . . . . .
H25 H -0.5538 -0.0106 -0.4766 0.057 Uiso 1 1 calc R . . . .
C26 C -0.7116(5) 0.0025(3) -0.44802(13) 0.0306(9) Uani 1 1 d . . . . .
H26 H -0.7467 -0.0549 -0.4517 0.037 Uiso 1 1 calc R . . . .
C27 C -0.8485(4) 0.3064(2) -0.24772(10) 0.0172(7) Uani 1 1 d . . . . .
C28 C -0.8956(5) 0.3451(3) -0.28449(11) 0.0249(8) Uani 1 1 d . . . . .
H28 H -0.8829 0.3157 -0.3064 0.030 Uiso 1 1 calc R . . . .
C29 C -0.9618(5) 0.4280(3) -0.28864(12) 0.0292(9) Uani 1 1 d . . . . .
H29 H -0.9946 0.4536 -0.3132 0.035 Uiso 1 1 calc R . . . .
C30 C -0.9781(5) 0.4716(3) -0.25580(12) 0.0295(9) Uani 1 1 d . . . . .
H30 H -1.0230 0.5266 -0.2584 0.035 Uiso 1 1 calc R . . . .
C31 C -0.9280(5) 0.4339(3) -0.21915(12) 0.0245(8) Uani 1 1 d . . . . .
H31 H -0.9374 0.4644 -0.1972 0.029 Uiso 1 1 calc R . . . .
C32 C -0.8638(4) 0.3510(3) -0.21493(11) 0.0192(7) Uani 1 1 d . . . . .
H32 H -0.8315 0.3255 -0.1903 0.023 Uiso 1 1 calc R . . . .
C33 C -0.5621(4) 0.2382(3) -0.23516(12) 0.0239(8) Uani 1 1 d . . . . .
C34 C -0.4502(5) 0.2181(3) -0.20168(14) 0.0352(10) Uani 1 1 d . . . . .
H34 H -0.4719 0.1842 -0.1821 0.042 Uiso 1 1 calc R . . . .
C35 C -0.3070(6) 0.2483(5) -0.19739(17) 0.0541(16) Uani 1 1 d . . . . .
H35 H -0.2321 0.2336 -0.1753 0.065 Uiso 1 1 calc R . . . .
C36 C -0.2762(6) 0.3003(4) -0.22615(19) 0.0536(16) Uani 1 1 d . . . . .
H36 H -0.1805 0.3216 -0.2230 0.064 Uiso 1 1 calc R . . . .
C37 C -0.3855(6) 0.3212(4) -0.25943(18) 0.0441(13) Uani 1 1 d . . . . .
H37 H -0.3632 0.3564 -0.2786 0.053 Uiso 1 1 calc R . . . .
C38 C -0.5300(5) 0.2895(3) -0.26440(15) 0.0333(10) Uani 1 1 d . . . . .
H38 H -0.6038 0.3026 -0.2870 0.040 Uiso 1 1 calc R . . . .
C39 C -0.7882(5) 0.0632(3) -0.13655(11) 0.0253(8) Uani 1 1 d . . . . .
C40 C -0.7804(5) 0.0165(3) -0.10900(12) 0.0314(9) Uani 1 1 d . . . . .
C41 C -1.2495(4) 0.2084(3) -0.49098(11) 0.0199(7) Uani 1 1 d . . . . .
C42 C -1.3323(4) 0.2575(3) -0.51203(11) 0.0216(8) Uani 1 1 d . . . . .
C43 C -1.4428(5) 0.3133(3) -0.53994(11) 0.0232(8) Uani 1 1 d . . . . .
C44 C -1.4042(5) 0.3176(4) -0.57941(13) 0.0370(11) Uani 1 1 d . . . . .
H44A H -1.4721 0.3575 -0.5967 0.044 Uiso 1 1 calc R . . . .
H44B H -1.3045 0.3405 -0.5755 0.044 Uiso 1 1 calc R . . . .
C45 C -1.4141(6) 0.2280(4) -0.59817(13) 0.0450(13) Uani 1 1 d . . . . .
H45A H -1.3391 0.1900 -0.5820 0.054 Uiso 1 1 calc R . . . .
H45B H -1.3932 0.2334 -0.6235 0.054 Uiso 1 1 calc R . . . .
C46 C -1.5677(6) 0.1851(4) -0.60365(14) 0.0444(13) Uani 1 1 d . . . . .
H46A H -1.6414 0.2183 -0.6227 0.053 Uiso 1 1 calc R . . . .
H46B H -1.5658 0.1257 -0.6135 0.053 Uiso 1 1 calc R . . . .
C47 C -1.6098(5) 0.1828(3) -0.56503(13) 0.0345(10) Uani 1 1 d . . . . .
H47A H -1.5446 0.1426 -0.5472 0.041 Uiso 1 1 calc R . . . .
H47B H -1.7106 0.1614 -0.5694 0.041 Uiso 1 1 calc R . . . .
C48 C -1.5978(4) 0.2739(3) -0.54670(12) 0.0250(8) Uani 1 1 d . . . . .
H48A H -1.6230 0.2703 -0.5219 0.030 Uiso 1 1 calc R . . . .
H48B H -1.6690 0.3126 -0.5637 0.030 Uiso 1 1 calc R . . . .
C49 C -0.7596(5) -0.0432(3) -0.07466(12) 0.0308(9) Uani 1 1 d . . . . .
C50 C -0.8450(6) -0.0104(3) -0.04615(13) 0.0352(10) Uani 1 1 d . . . . .
H50A H -0.8209 0.0510 -0.0403 0.042 Uiso 1 1 calc R . . . .
H50B H -0.8128 -0.0432 -0.0219 0.042 Uiso 1 1 calc R . . . .
C51 C -1.0129(6) -0.0194(4) -0.06168(17) 0.0451(12) Uani 1 1 d . . . . .
H51A H -1.0481 0.0176 -0.0845 0.054 Uiso 1 1 calc R . . . .
H51B H -1.0608 -0.0006 -0.0419 0.054 Uiso 1 1 calc R . . . .
C52 C -1.0520(6) -0.1163(4) -0.07259(18) 0.0488(14) Uani 1 1 d . . . . .
H52A H -1.0203 -0.1525 -0.0494 0.059 Uiso 1 1 calc R . . . .
H52B H -1.1587 -0.1221 -0.0825 0.059 Uiso 1 1 calc R . . . .
C53 C -0.9795(6) -0.1477(4) -0.10270(15) 0.0457(13) Uani 1 1 d . . . . .
H53A H -1.0168 -0.1144 -0.1266 0.055 Uiso 1 1 calc R . . . .
H53B H -1.0041 -0.2091 -0.1084 0.055 Uiso 1 1 calc R . . . .
C54 C -0.8081(6) -0.1373(3) -0.08842(14) 0.0358(10) Uani 1 1 d . . . . .
H54A H -0.7698 -0.1778 -0.0670 0.043 Uiso 1 1 calc R . . . .
H54B H -0.7649 -0.1530 -0.1096 0.043 Uiso 1 1 calc R . . . .
Cl1 Cl -0.65357(19) 0.49936(11) -0.33991(4) 0.0596(4) Uani 1 1 d . . . . .
Cl2 Cl -0.5377(2) 0.33923(11) -0.36484(5) 0.0654(4) Uani 1 1 d . . . . .
C55 C -0.5596(8) 0.4534(4) -0.37179(18) 0.0569(15) Uani 1 1 d . . . . .
H55A H -0.4628 0.4808 -0.3674 0.068 Uiso 1 1 calc R . . . .
H55B H -0.6147 0.4652 -0.3986 0.068 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 P1 2.2880(8) . ?
Au1 C41 2.013(4) . ?
Au2 P2 2.2782(9) . ?
Au2 C39 2.013(4) . ?
P1 C1 1.833(3) . ?
P1 C15 1.813(4) . ?
P1 C21 1.815(4) . ?
P2 C8 1.842(4) . ?
P2 C27 1.820(4) . ?
P2 C33 1.821(4) . ?
O1 H1 0.8199 . ?
O1 C43 1.432(5) . ?
O2 H2 0.8202 . ?
O2 C49 1.450(6) . ?
C1 C2 1.412(5) . ?
C1 C14 1.421(5) . ?
C2 C3 1.438(5) . ?
C2 C7 1.445(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.351(6) . ?
C4 H4 0.9300 . ?
C4 C5 1.409(6) . ?
C5 H5 0.9300 . ?
C5 C6 1.365(6) . ?
C6 H6 0.9300 . ?
C6 C7 1.425(5) . ?
C7 C8 1.419(5) . ?
C8 C9 1.411(5) . ?
C9 C10 1.434(5) . ?
C9 C14 1.448(5) . ?
C10 H10 0.9300 . ?
C10 C11 1.347(6) . ?
C11 H11 0.9300 . ?
C11 C12 1.421(5) . ?
C12 H12 0.9300 . ?
C12 C13 1.369(5) . ?
C13 H13 0.9300 . ?
C13 C14 1.429(5) . ?
C15 C16 1.406(6) . ?
C15 C20 1.388(6) . ?
C16 H16 0.9300 . ?
C16 C17 1.389(7) . ?
C17 H17 0.9300 . ?
C17 C18 1.372(8) . ?
C18 H18 0.9300 . ?
C18 C19 1.383(8) . ?
C19 H19 0.9300 . ?
C19 C20 1.393(6) . ?
C20 H20 0.9300 . ?
C21 C22 1.399(6) . ?
C21 C26 1.382(6) . ?
C22 H22 0.9300 . ?
C22 C23 1.383(6) . ?
C23 H23 0.9300 . ?
C23 C24 1.384(8) . ?
C24 H24 0.9300 . ?
C24 C25 1.369(9) . ?
C25 H25 0.9300 . ?
C25 C26 1.380(7) . ?
C26 H26 0.9300 . ?
C27 C28 1.392(5) . ?
C27 C32 1.385(5) . ?
C28 H28 0.9300 . ?
C28 C29 1.394(6) . ?
C29 H29 0.9300 . ?
C29 C30 1.382(6) . ?
C30 H30 0.9300 . ?
C30 C31 1.384(6) . ?
C31 H31 0.9300 . ?
C31 C32 1.388(6) . ?
C32 H32 0.9300 . ?
C33 C34 1.393(6) . ?
C33 C38 1.391(6) . ?
C34 H34 0.9300 . ?
C34 C35 1.385(7) . ?
C35 H35 0.9300 . ?
C35 C36 1.379(10) . ?
C36 H36 0.9300 . ?
C36 C37 1.378(9) . ?
C37 H37 0.9300 . ?
C37 C38 1.401(7) . ?
C38 H38 0.9300 . ?
C39 C40 1.194(6) . ?
C40 C49 1.489(6) . ?
C41 C42 1.187(6) . ?
C42 C43 1.492(5) . ?
C43 C44 1.535(6) . ?
C43 C48 1.526(6) . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C44 C45 1.509(8) . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C45 C46 1.541(9) . ?
C46 H46A 0.9700 . ?
C46 H46B 0.9700 . ?
C46 C47 1.521(7) . ?
C47 H47A 0.9700 . ?
C47 H47B 0.9700 . ?
C47 C48 1.522(6) . ?
C48 H48A 0.9700 . ?
C48 H48B 0.9700 . ?
C49 C50 1.527(7) . ?
C49 C54 1.542(6) . ?
C50 H50A 0.9700 . ?
C50 H50B 0.9700 . ?
C50 C51 1.525(7) . ?
C51 H51A 0.9700 . ?
C51 H51B 0.9700 . ?
C51 C52 1.543(8) . ?
C52 H52A 0.9700 . ?
C52 H52B 0.9700 . ?
C52 C53 1.486(9) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C53 C54 1.555(7) . ?
C54 H54A 0.9700 . ?
C54 H54B 0.9700 . ?
Cl1 C55 1.749(7) . ?
Cl2 C55 1.759(7) . ?
C55 H55A 0.9700 . ?
C55 H55B 0.9700 . ?

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
C41 Au1 P1 175.23(11) . . ?
C39 Au2 P2 177.65(13) . . ?
C1 P1 Au1 117.17(12) . . ?
C15 P1 Au1 115.37(12) . . ?
C15 P1 C1 107.19(17) . . ?
C15 P1 C21 108.34(18) . . ?
C21 P1 Au1 101.95(12) . . ?
C21 P1 C1 106.02(16) . . ?
C8 P2 Au2 113.77(12) . . ?
C27 P2 Au2 114.06(12) . . ?
C27 P2 C8 106.74(17) . . ?
C27 P2 C33 100.21(18) . . ?
C33 P2 Au2 112.87(14) . . ?
C33 P2 C8 108.13(17) . . ?
C43 O1 H1 109.6 . . ?
C49 O2 H2 109.5 . . ?
C2 C1 P1 118.2(3) . . ?
C2 C1 C14 119.5(3) . . ?
C14 C1 P1 122.3(3) . . ?
C1 C2 C3 122.3(3) . . ?
C1 C2 C7 119.1(3) . . ?
C3 C2 C7 118.5(3) . . ?
C2 C3 H3 119.1 . . ?
C4 C3 C2 121.8(3) . . ?
C4 C3 H3 119.1 . . ?
C3 C4 H4 120.2 . . ?
C3 C4 C5 119.5(4) . . ?
C5 C4 H4 120.2 . . ?
C4 C5 H5 119.4 . . ?
C6 C5 C4 121.2(3) . . ?
C6 C5 H5 119.4 . . ?
C5 C6 H6 119.2 . . ?
C5 C6 C7 121.6(3) . . ?
C7 C6 H6 119.2 . . ?
C6 C7 C2 117.2(3) . . ?
C8 C7 C2 119.8(3) . . ?
C8 C7 C6 122.9(3) . . ?
C7 C8 P2 121.2(3) . . ?
C9 C8 P2 119.2(3) . . ?
C9 C8 C7 119.5(3) . . ?
C8 C9 C10 122.6(3) . . ?
C8 C9 C14 119.0(3) . . ?
C10 C9 C14 118.3(3) . . ?
C9 C10 H10 118.8 . . ?
C11 C10 C9 122.3(3) . . ?
C11 C10 H10 118.8 . . ?
C10 C11 H11 120.2 . . ?
C10 C11 C12 119.6(3) . . ?
C12 C11 H11 120.2 . . ?
C11 C12 H12 119.7 . . ?
C13 C12 C11 120.6(3) . . ?
C13 C12 H12 119.7 . . ?
C12 C13 H13 119.1 . . ?
C12 C13 C14 121.8(3) . . ?
C14 C13 H13 119.1 . . ?
C1 C14 C9 119.8(3) . . ?
C1 C14 C13 122.9(3) . . ?
C13 C14 C9 117.3(3) . . ?
C16 C15 P1 118.8(3) . . ?
C20 C15 P1 122.2(3) . . ?
C20 C15 C16 119.0(4) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 C15 120.2(5) . . ?
C17 C16 H16 119.9 . . ?
C16 C17 H17 120.0 . . ?
C18 C17 C16 120.1(5) . . ?
C18 C17 H17 120.0 . . ?
C17 C18 H18 119.8 . . ?
C17 C18 C19 120.4(4) . . ?
C19 C18 H18 119.8 . . ?
C18 C19 H19 119.9 . . ?
C18 C19 C20 120.2(4) . . ?
C20 C19 H19 119.9 . . ?
C15 C20 H20 120.0 . . ?
C19 C20 C15 120.0(4) . . ?
C19 C20 H20 120.0 . . ?
C22 C21 P1 117.1(3) . . ?
C26 C21 P1 122.3(3) . . ?
C26 C21 C22 120.1(4) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 C21 120.0(4) . . ?
C23 C22 H22 120.0 . . ?
C22 C23 H23 120.3 . . ?
C24 C23 C22 119.4(5) . . ?
C24 C23 H23 120.3 . . ?
C23 C24 H24 120.0 . . ?
C25 C24 C23 120.0(4) . . ?
C25 C24 H24 120.0 . . ?
C24 C25 H25 119.2 . . ?
C24 C25 C26 121.6(5) . . ?
C26 C25 H25 119.2 . . ?
C21 C26 H26 120.6 . . ?
C25 C26 C21 118.8(5) . . ?
C25 C26 H26 120.6 . . ?
C28 C27 P2 123.4(3) . . ?
C32 C27 P2 116.3(3) . . ?
C32 C27 C28 120.1(3) . . ?
C27 C28 H28 119.9 . . ?
C27 C28 C29 120.2(4) . . ?
C29 C28 H28 119.9 . . ?
C28 C29 H29 120.4 . . ?
C30 C29 C28 119.3(4) . . ?
C30 C29 H29 120.4 . . ?
C29 C30 H30 119.8 . . ?
C29 C30 C31 120.5(4) . . ?
C31 C30 H30 119.8 . . ?
C30 C31 H31 119.8 . . ?
C30 C31 C32 120.5(4) . . ?
C32 C31 H31 119.8 . . ?
C27 C32 C31 119.5(4) . . ?
C27 C32 H32 120.3 . . ?
C31 C32 H32 120.3 . . ?
C34 C33 P2 119.4(3) . . ?
C38 C33 P2 120.7(3) . . ?
C38 C33 C34 119.8(4) . . ?
C33 C34 H34 119.8 . . ?
C35 C34 C33 120.5(5) . . ?
C35 C34 H34 119.8 . . ?
C34 C35 H35 120.2 . . ?
C36 C35 C34 119.5(5) . . ?
C36 C35 H35 120.2 . . ?
C35 C36 H36 119.6 . . ?
C37 C36 C35 120.9(5) . . ?
C37 C36 H36 119.6 . . ?
C36 C37 H37 120.0 . . ?
C36 C37 C38 120.0(5) . . ?
C38 C37 H37 120.0 . . ?
C33 C38 C37 119.3(5) . . ?
C33 C38 H38 120.4 . . ?
C37 C38 H38 120.4 . . ?
C40 C39 Au2 170.7(4) . . ?
C39 C40 C49 175.9(5) . . ?
C42 C41 Au1 177.2(3) . . ?
C41 C42 C43 175.7(4) . . ?
O1 C43 C42 110.4(3) . . ?
O1 C43 C44 107.4(4) . . ?
O1 C43 C48 110.6(3) . . ?
C42 C43 C44 109.9(3) . . ?
C42 C43 C48 110.1(3) . . ?
C48 C43 C44 108.3(3) . . ?
C43 C44 H44A 109.4 . . ?
C43 C44 H44B 109.4 . . ?
H44A C44 H44B 108.0 . . ?
C45 C44 C43 111.1(4) . . ?
C45 C44 H44A 109.4 . . ?
C45 C44 H44B 109.4 . . ?
C44 C45 H45A 109.1 . . ?
C44 C45 H45B 109.1 . . ?
C44 C45 C46 112.6(4) . . ?
H45A C45 H45B 107.8 . . ?
C46 C45 H45A 109.1 . . ?
C46 C45 H45B 109.1 . . ?
C45 C46 H46A 109.6 . . ?
C45 C46 H46B 109.6 . . ?
H46A C46 H46B 108.1 . . ?
C47 C46 C45 110.4(4) . . ?
C47 C46 H46A 109.6 . . ?
C47 C46 H46B 109.6 . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
C46 C47 C48 110.8(4) . . ?
H47A C47 H47B 108.1 . . ?
C48 C47 H47A 109.5 . . ?
C48 C47 H47B 109.5 . . ?
C43 C48 H48A 109.1 . . ?
C43 C48 H48B 109.1 . . ?
C47 C48 C43 112.6(3) . . ?
C47 C48 H48A 109.1 . . ?
C47 C48 H48B 109.1 . . ?
H48A C48 H48B 107.8 . . ?
O2 C49 C40 109.0(4) . . ?
O2 C49 C50 110.1(3) . . ?
O2 C49 C54 105.7(4) . . ?
C40 C49 C50 111.3(4) . . ?
C40 C49 C54 110.1(3) . . ?
C50 C49 C54 110.5(4) . . ?
C49 C50 H50A 108.9 . . ?
C49 C50 H50B 108.9 . . ?
C49 C50 C51 113.5(4) . . ?
H50A C50 H50B 107.7 . . ?
C51 C50 H50A 108.9 . . ?
C51 C50 H50B 108.9 . . ?
C50 C51 H51A 109.8 . . ?
C50 C51 H51B 109.8 . . ?
C50 C51 C52 109.3(4) . . ?
H51A C51 H51B 108.3 . . ?
C52 C51 H51A 109.8 . . ?
C52 C51 H51B 109.8 . . ?
C51 C52 H52A 109.3 . . ?
C51 C52 H52B 109.3 . . ?
H52A C52 H52B 108.0 . . ?
C53 C52 C51 111.4(4) . . ?
C53 C52 H52A 109.3 . . ?
C53 C52 H52B 109.3 . . ?
C52 C53 H53A 109.4 . . ?
C52 C53 H53B 109.4 . . ?
C52 C53 C54 111.0(4) . . ?
H53A C53 H53B 108.0 . . ?
C54 C53 H53A 109.4 . . ?
C54 C53 H53B 109.4 . . ?
C49 C54 C53 112.9(4) . . ?
C49 C54 H54A 109.0 . . ?
C49 C54 H54B 109.0 . . ?
C53 C54 H54A 109.0 . . ?
C53 C54 H54B 109.0 . . ?
H54A C54 H54B 107.8 . . ?
Cl1 C55 Cl2 111.3(3) . . ?
Cl1 C55 H55A 109.4 . . ?
Cl1 C55 H55B 109.4 . . ?
Cl2 C55 H55A 109.4 . . ?
Cl2 C55 H55B 109.4 . . ?
H55A C55 H55B 108.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 P1 C1 C2 30.0(3) . . . . ?
Au1 P1 C1 C14 -149.3(2) . . . . ?
Au1 P1 C15 C16 45.8(4) . . . . ?
Au1 P1 C15 C20 -133.7(3) . . . . ?
Au1 P1 C21 C22 62.4(3) . . . . ?
Au1 P1 C21 C26 -109.8(3) . . . . ?
Au2 P2 C8 C7 87.1(3) . . . . ?
Au2 P2 C8 C9 -88.8(3) . . . . ?
Au2 P2 C27 C28 -155.8(3) . . . . ?
Au2 P2 C27 C32 29.4(3) . . . . ?
Au2 P2 C33 C34 2.3(4) . . . . ?
Au2 P2 C33 C38 -174.5(3) . . . . ?
P1 C1 C2 C3 18.4(5) . . . . ?
P1 C1 C2 C7 -165.0(3) . . . . ?
P1 C1 C14 C9 166.0(3) . . . . ?
P1 C1 C14 C13 -16.6(5) . . . . ?
P1 C15 C16 C17 176.7(4) . . . . ?
P1 C15 C20 C19 -179.8(3) . . . . ?
P1 C21 C22 C23 -173.4(3) . . . . ?
P1 C21 C26 C25 172.2(4) . . . . ?
P2 C8 C9 C10 15.5(5) . . . . ?
P2 C8 C9 C14 -168.0(3) . . . . ?
P2 C27 C28 C29 -176.1(3) . . . . ?
P2 C27 C32 C31 175.6(3) . . . . ?
P2 C33 C34 C35 -177.3(4) . . . . ?
P2 C33 C38 C37 175.9(3) . . . . ?
O1 C43 C44 C45 -176.5(4) . . . . ?
O1 C43 C48 C47 175.7(3) . . . . ?
O2 C49 C50 C51 -168.6(4) . . . . ?
O2 C49 C54 C53 168.5(4) . . . . ?
C1 P1 C15 C16 178.3(3) . . . . ?
C1 P1 C15 C20 -1.2(4) . . . . ?
C1 P1 C21 C22 -60.7(3) . . . . ?
C1 P1 C21 C26 127.1(3) . . . . ?
C1 C2 C3 C4 175.2(4) . . . . ?
C1 C2 C7 C6 -176.2(3) . . . . ?
C1 C2 C7 C8 -0.2(5) . . . . ?
C2 C1 C14 C9 -13.4(5) . . . . ?
C2 C1 C14 C13 164.1(3) . . . . ?
C2 C3 C4 C5 0.2(6) . . . . ?
C2 C7 C8 P2 169.0(3) . . . . ?
C2 C7 C8 C9 -15.1(5) . . . . ?
C3 C2 C7 C6 0.4(5) . . . . ?
C3 C2 C7 C8 176.5(3) . . . . ?
C3 C4 C5 C6 1.8(6) . . . . ?
C4 C5 C6 C7 -2.8(6) . . . . ?
C5 C6 C7 C2 1.6(5) . . . . ?
C5 C6 C7 C8 -174.3(4) . . . . ?
C6 C7 C8 P2 -15.2(5) . . . . ?
C6 C7 C8 C9 160.7(3) . . . . ?
C7 C2 C3 C4 -1.3(6) . . . . ?
C7 C8 C9 C10 -160.5(3) . . . . ?
C7 C8 C9 C14 16.1(5) . . . . ?
C8 P2 C27 C28 -29.3(4) . . . . ?
C8 P2 C27 C32 155.9(3) . . . . ?
C8 P2 C33 C34 -124.5(3) . . . . ?
C8 P2 C33 C38 58.7(4) . . . . ?
C8 C9 C10 C11 178.9(4) . . . . ?
C8 C9 C14 C1 -1.9(5) . . . . ?
C8 C9 C14 C13 -179.5(3) . . . . ?
C9 C10 C11 C12 -0.2(6) . . . . ?
C10 C9 C14 C1 174.8(3) . . . . ?
C10 C9 C14 C13 -2.8(5) . . . . ?
C10 C11 C12 C13 -1.4(6) . . . . ?
C11 C12 C13 C14 0.8(6) . . . . ?
C12 C13 C14 C1 -176.2(4) . . . . ?
C12 C13 C14 C9 1.3(5) . . . . ?
C14 C1 C2 C3 -162.2(3) . . . . ?
C14 C1 C2 C7 14.3(5) . . . . ?
C14 C9 C10 C11 2.3(6) . . . . ?
C15 P1 C1 C2 -101.5(3) . . . . ?
C15 P1 C1 C14 79.2(3) . . . . ?
C15 P1 C21 C22 -175.5(3) . . . . ?
C15 P1 C21 C26 12.3(4) . . . . ?
C15 C16 C17 C18 3.0(8) . . . . ?
C16 C15 C20 C19 0.7(6) . . . . ?
C16 C17 C18 C19 0.9(8) . . . . ?
C17 C18 C19 C20 -4.0(7) . . . . ?
C18 C19 C20 C15 3.2(7) . . . . ?
C20 C15 C16 C17 -3.7(7) . . . . ?
C21 P1 C1 C2 142.9(3) . . . . ?
C21 P1 C1 C14 -36.4(3) . . . . ?
C21 P1 C15 C16 -67.7(4) . . . . ?
C21 P1 C15 C20 112.8(3) . . . . ?
C21 C22 C23 C24 0.8(6) . . . . ?
C22 C21 C26 C25 0.2(6) . . . . ?
C22 C23 C24 C25 0.1(7) . . . . ?
C23 C24 C25 C26 -0.9(8) . . . . ?
C24 C25 C26 C21 0.8(8) . . . . ?
C26 C21 C22 C23 -1.0(6) . . . . ?
C27 P2 C8 C7 -39.6(3) . . . . ?
C27 P2 C8 C9 144.5(3) . . . . ?
C27 P2 C33 C34 124.0(3) . . . . ?
C27 P2 C33 C38 -52.8(4) . . . . ?
C27 C28 C29 C30 0.9(7) . . . . ?
C28 C27 C32 C31 0.7(6) . . . . ?
C28 C29 C30 C31 0.6(7) . . . . ?
C29 C30 C31 C32 -1.5(7) . . . . ?
C30 C31 C32 C27 0.8(6) . . . . ?
C32 C27 C28 C29 -1.6(6) . . . . ?
C33 P2 C8 C7 -146.7(3) . . . . ?
C33 P2 C8 C9 37.4(3) . . . . ?
C33 P2 C27 C28 83.3(4) . . . . ?
C33 P2 C27 C32 -91.5(3) . . . . ?
C33 C34 C35 C36 1.5(8) . . . . ?
C34 C33 C38 C37 -0.9(6) . . . . ?
C34 C35 C36 C37 -1.3(9) . . . . ?
C35 C36 C37 C38 0.0(8) . . . . ?
C36 C37 C38 C33 1.1(7) . . . . ?
C38 C33 C34 C35 -0.4(7) . . . . ?
C40 C49 C50 C51 70.5(5) . . . . ?
C40 C49 C54 C53 -73.9(5) . . . . ?
C42 C43 C44 C45 63.3(5) . . . . ?
C42 C43 C48 C47 -62.1(4) . . . . ?
C43 C44 C45 C46 56.4(5) . . . . ?
C44 C43 C48 C47 58.2(4) . . . . ?
C44 C45 C46 C47 -53.9(5) . . . . ?
C45 C46 C47 C48 53.2(5) . . . . ?
C46 C47 C48 C43 -57.5(5) . . . . ?
C48 C43 C44 C45 -57.0(5) . . . . ?
C49 C50 C51 C52 56.4(5) . . . . ?
C50 C49 C54 C53 49.4(5) . . . . ?
C50 C51 C52 C53 -59.0(6) . . . . ?
C51 C52 C53 C54 57.6(6) . . . . ?
C52 C53 C54 C49 -53.3(5) . . . . ?
C54 C49 C50 C51 -52.2(5) . . . . ?


####################################################################### 
# 
# 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_Complex_10
_database_code_depnum_ccdc_archive 'CCDC 1054719'
_audit_update_record             
;
2015-03-17 deposited with the CCDC.	2019-08-08 downloaded from the CCDC.
;
_audit_creation_date             2015-03-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C50 H36 Au2 P2, C H2 Cl2'
_chemical_formula_sum            'C51 H38 Au2 Cl2 P2'
_chemical_formula_weight         1177.58
_chemical_melting_point          ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   21.2923(9)
_cell_length_b                   10.4445(2)
_cell_length_c                   21.9593(8)
_cell_angle_alpha                90
_cell_angle_beta                 118.544(5)
_cell_angle_gamma                90
_cell_volume                     4289.9(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    10722
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      36.5530
_cell_measurement_theta_min      3.5090
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.066
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.20395
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'translucent colorless'
_exptl_crystal_density_diffrn    1.823
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             2264
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.09
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0436
_diffrn_reflns_av_unetI/netI     0.0539
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            14471
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.000
_diffrn_reflns_theta_min         3.413
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.3829
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -32.00   -3.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      -28.1623  -57.0000   90.0000 29

#__ type_ start__ end____ width___ exp.time_
  2 omega   67.00  117.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       30.0373 -178.0000 -180.0000 50

#__ type_ start__ end____ width___ exp.time_
  3 omega  -44.00   40.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       30.0373  -38.0000 -150.0000 84

#__ type_ start__ end____ width___ exp.time_
  4 omega    0.00  104.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       30.0373   57.0000    0.0000 104
;
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0286972000
_diffrn_orient_matrix_UB_12      -0.0417508000
_diffrn_orient_matrix_UB_13      0.0061138000
_diffrn_orient_matrix_UB_21      -0.0230056000
_diffrn_orient_matrix_UB_22      -0.0534818000
_diffrn_orient_matrix_UB_23      -0.0071238000
_diffrn_orient_matrix_UB_31      -0.0092042000
_diffrn_orient_matrix_UB_32      0.0035225000
_diffrn_orient_matrix_UB_33      -0.0355510000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5523
_reflns_number_total             6165
_reflns_odcompleteness_completeness 96.70
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     35.02
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         1.870
_refine_diff_density_min         -2.002
_refine_diff_density_rms         0.167
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     258
_refine_ls_number_reflns         6165
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0362
_refine_ls_R_factor_gt           0.0315
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0230P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0671
_refine_ls_wR_factor_ref         0.0705
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Others
 Fixed Sof: H33A(0.5) H33B(0.5)
3.a Secondary CH2 refined with riding coordinates:
 C33(H33A,H33B)
3.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C5(H5), C17(H17), C18(H18), C19(H19), C20(H20), C21(H21),
 C23(H23), C24(H24), C25(H25), C26(H26), C27(H27), C28(H28), C29(H29), C30(H30),
  C31(H31), C32(H32)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.42544(2) 0.77648(2) 0.67919(2) 0.01380(5) Uani 1 1 d . . . . .
P1 P 0.45205(5) 0.68842(9) 0.59933(4) 0.01316(17) Uani 1 1 d . . . . .
C1 C 0.46547(18) 0.8053(4) 0.54533(16) 0.0141(7) Uani 1 1 d . . . . .
C2 C 0.48685(18) 0.9267(4) 0.57046(16) 0.0143(7) Uani 1 1 d . . . . .
H2 H 0.4906 0.9493 0.6131 0.017 Uiso 1 1 calc R . . . .
C3 C 0.50325(18) 1.0183(4) 0.53266(15) 0.0133(7) Uani 1 1 d . . . . .
C4 C 0.52713(19) 1.1426(4) 0.55815(16) 0.0166(7) Uani 1 1 d . . . . .
H4 H 0.5324 1.1660 0.6012 0.020 Uiso 1 1 calc R . . . .
C5 C 0.5427(2) 1.2295(4) 0.52077(18) 0.0185(8) Uani 1 1 d . . . . .
H5 H 0.5586 1.3110 0.5384 0.022 Uiso 1 1 calc R . . . .
C11 C 0.38885(18) 0.8566(4) 0.73946(17) 0.0156(7) Uani 1 1 d . . . . .
C12 C 0.36235(19) 0.9032(4) 0.77078(17) 0.0188(8) Uani 1 1 d . . . . .
C15 C 0.32679(18) 0.9568(4) 0.80711(17) 0.0177(7) Uani 1 1 d . . . . .
C16 C 0.37866(19) 0.5872(4) 0.53971(16) 0.0160(7) Uani 1 1 d . . . . .
C17 C 0.31409(19) 0.6453(4) 0.49254(18) 0.0224(8) Uani 1 1 d . . . . .
H17 H 0.3107 0.7341 0.4894 0.027 Uiso 1 1 calc R . . . .
C18 C 0.2555(2) 0.5708(5) 0.45070(19) 0.0263(9) Uani 1 1 d . . . . .
H18 H 0.2128 0.6099 0.4196 0.032 Uiso 1 1 calc R . . . .
C19 C 0.2596(2) 0.4382(5) 0.4546(2) 0.0332(11) Uani 1 1 d . . . . .
H19 H 0.2198 0.3885 0.4267 0.040 Uiso 1 1 calc R . . . .
C20 C 0.3235(2) 0.3804(5) 0.5003(2) 0.0312(10) Uani 1 1 d . . . . .
H20 H 0.3267 0.2916 0.5027 0.037 Uiso 1 1 calc R . . . .
C21 C 0.3826(2) 0.4536(4) 0.54259(19) 0.0254(9) Uani 1 1 d . . . . .
H21 H 0.4253 0.4137 0.5731 0.030 Uiso 1 1 calc R . . . .
C22 C 0.52965(18) 0.5854(4) 0.63379(16) 0.0151(7) Uani 1 1 d . . . . .
C23 C 0.5422(2) 0.5074(5) 0.6890(2) 0.0353(12) Uani 1 1 d . . . . .
H23 H 0.5113 0.5105 0.7078 0.042 Uiso 1 1 calc R . . . .
C24 C 0.6001(2) 0.4242(5) 0.7172(2) 0.0394(12) Uani 1 1 d . . . . .
H24 H 0.6070 0.3696 0.7534 0.047 Uiso 1 1 calc R . . . .
C25 C 0.6468(2) 0.4238(4) 0.6910(2) 0.0299(10) Uani 1 1 d . . . . .
H25 H 0.6867 0.3709 0.7107 0.036 Uiso 1 1 calc R . . . .
C26 C 0.6357(2) 0.4997(4) 0.6363(2) 0.0267(9) Uani 1 1 d . . . . .
H26 H 0.6675 0.4972 0.6185 0.032 Uiso 1 1 calc R . . . .
C27 C 0.5768(2) 0.5811(4) 0.60715(18) 0.0221(8) Uani 1 1 d . . . . .
H27 H 0.5691 0.6327 0.5697 0.026 Uiso 1 1 calc R . . . .
C28 C 0.3002(2) 1.0811(4) 0.7939(2) 0.0254(9) Uani 1 1 d . . . . .
H28 H 0.3077 1.1320 0.7631 0.031 Uiso 1 1 calc R . . . .
C29 C 0.2627(2) 1.1306(4) 0.8260(2) 0.0325(10) Uani 1 1 d . . . . .
H29 H 0.2448 1.2136 0.8163 0.039 Uiso 1 1 calc R . . . .
C30 C 0.2521(2) 1.0567(5) 0.8716(2) 0.0359(11) Uani 1 1 d . . . . .
H30 H 0.2272 1.0895 0.8932 0.043 Uiso 1 1 calc R . . . .
C31 C 0.2785(3) 0.9331(6) 0.8857(2) 0.0429(13) Uani 1 1 d . . . . .
H31 H 0.2716 0.8835 0.9172 0.052 Uiso 1 1 calc R . . . .
C32 C 0.3153(2) 0.8823(5) 0.8534(2) 0.0321(10) Uani 1 1 d . . . . .
H32 H 0.3321 0.7986 0.8627 0.039 Uiso 1 1 calc R . . . .
Cl1 Cl 0.44421(7) 0.19637(13) 0.67699(5) 0.0358(3) Uani 1 1 d . . . . .
C33 C 0.5000 0.1042(7) 0.7500 0.0412(17) Uani 1 2 d S T P . .
H33A H 0.5295 0.0494 0.7384 0.049 Uiso 0.5 1 calc R . . . .
H33B H 0.4705 0.0494 0.7616 0.049 Uiso 0.5 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 Au1 3.2118(3) 2_656 ?
Au1 P1 2.2785(9) . ?
Au1 C11 2.011(4) . ?
P1 C1 1.817(4) . ?
P1 C16 1.822(4) . ?
P1 C22 1.807(4) . ?
C1 C2 1.371(5) . ?
C1 C5 1.424(5) 5_676 ?
C2 H2 0.9300 . ?
C2 C3 1.415(5) . ?
C3 C3 1.426(6) 5_676 ?
C3 C4 1.409(5) . ?
C4 H4 0.9300 . ?
C4 C5 1.366(5) . ?
C5 C1 1.424(5) 5_676 ?
C5 H5 0.9300 . ?
C11 C12 1.183(5) . ?
C12 C15 1.449(5) . ?
C15 C28 1.390(6) . ?
C15 C32 1.393(6) . ?
C16 C17 1.404(5) . ?
C16 C21 1.397(6) . ?
C17 H17 0.9300 . ?
C17 C18 1.383(6) . ?
C18 H18 0.9300 . ?
C18 C19 1.388(7) . ?
C19 H19 0.9300 . ?
C19 C20 1.385(6) . ?
C20 H20 0.9300 . ?
C20 C21 1.384(5) . ?
C21 H21 0.9300 . ?
C22 C23 1.375(5) . ?
C22 C27 1.383(5) . ?
C23 H23 0.9300 . ?
C23 C24 1.389(7) . ?
C24 H24 0.9300 . ?
C24 C25 1.366(6) . ?
C25 H25 0.9300 . ?
C25 C26 1.362(6) . ?
C26 H26 0.9300 . ?
C26 C27 1.393(5) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C28 C29 1.394(6) . ?
C29 H29 0.9300 . ?
C29 C30 1.367(7) . ?
C30 H30 0.9300 . ?
C30 C31 1.382(8) . ?
C31 H31 0.9300 . ?
C31 C32 1.389(6) . ?
C32 H32 0.9300 . ?
Cl1 C33 1.757(4) . ?
C33 Cl1 1.758(4) 2_656 ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Au1 Au1 104.53(2) . 2_656 ?
C11 Au1 Au1 82.96(9) . 2_656 ?
C11 Au1 P1 172.51(10) . . ?
C1 P1 Au1 113.93(13) . . ?
C1 P1 C16 105.62(16) . . ?
C16 P1 Au1 110.13(12) . . ?
C22 P1 Au1 115.59(11) . . ?
C22 P1 C1 106.02(17) . . ?
C22 P1 C16 104.69(18) . . ?
C2 C1 P1 119.0(2) . . ?
C2 C1 C5 120.1(3) . 5_676 ?
C5 C1 P1 120.9(3) 5_676 . ?
C1 C2 H2 119.4 . . ?
C1 C2 C3 121.1(3) . . ?
C3 C2 H2 119.4 . . ?
C2 C3 C3 118.4(4) . 5_676 ?
C4 C3 C2 122.2(3) . . ?
C4 C3 C3 119.3(4) . 5_676 ?
C3 C4 H4 119.4 . . ?
C5 C4 C3 121.2(3) . . ?
C5 C4 H4 119.4 . . ?
C1 C5 H5 120.1 5_676 . ?
C4 C5 C1 119.8(4) . 5_676 ?
C4 C5 H5 120.1 . . ?
C12 C11 Au1 175.1(3) . . ?
C11 C12 C15 177.2(4) . . ?
C28 C15 C12 120.8(4) . . ?
C28 C15 C32 118.6(4) . . ?
C32 C15 C12 120.4(4) . . ?
C17 C16 P1 118.7(3) . . ?
C21 C16 P1 122.3(3) . . ?
C21 C16 C17 118.8(4) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 C16 120.1(4) . . ?
C18 C17 H17 119.9 . . ?
C17 C18 H18 119.7 . . ?
C17 C18 C19 120.7(4) . . ?
C19 C18 H18 119.7 . . ?
C18 C19 H19 120.3 . . ?
C20 C19 C18 119.4(4) . . ?
C20 C19 H19 120.3 . . ?
C19 C20 H20 119.7 . . ?
C21 C20 C19 120.6(4) . . ?
C21 C20 H20 119.7 . . ?
C16 C21 H21 119.8 . . ?
C20 C21 C16 120.3(4) . . ?
C20 C21 H21 119.8 . . ?
C23 C22 P1 118.4(3) . . ?
C23 C22 C27 118.6(4) . . ?
C27 C22 P1 123.0(3) . . ?
C22 C23 H23 119.3 . . ?
C22 C23 C24 121.5(4) . . ?
C24 C23 H23 119.3 . . ?
C23 C24 H24 120.6 . . ?
C25 C24 C23 118.8(4) . . ?
C25 C24 H24 120.6 . . ?
C24 C25 H25 119.4 . . ?
C26 C25 C24 121.1(4) . . ?
C26 C25 H25 119.4 . . ?
C25 C26 H26 120.1 . . ?
C25 C26 C27 119.9(4) . . ?
C27 C26 H26 120.1 . . ?
C22 C27 C26 120.1(4) . . ?
C22 C27 H27 119.9 . . ?
C26 C27 H27 119.9 . . ?
C15 C28 H28 119.5 . . ?
C15 C28 C29 121.0(4) . . ?
C29 C28 H28 119.5 . . ?
C28 C29 H29 120.1 . . ?
C30 C29 C28 119.8(4) . . ?
C30 C29 H29 120.1 . . ?
C29 C30 H30 120.0 . . ?
C29 C30 C31 120.0(4) . . ?
C31 C30 H30 120.0 . . ?
C30 C31 H31 119.6 . . ?
C30 C31 C32 120.7(5) . . ?
C32 C31 H31 119.6 . . ?
C15 C32 H32 120.1 . . ?
C31 C32 C15 119.9(4) . . ?
C31 C32 H32 120.1 . . ?
Cl1 C33 Cl1 113.6(4) . 2_656 ?
Cl1 C33 H33A 108.9 . . ?
Cl1 C33 H33A 108.9 2_656 . ?
Cl1 C33 H33B 108.9 2_656 . ?
Cl1 C33 H33B 108.9 . . ?
H33A C33 H33B 107.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 P1 C1 C2 25.4(3) . . . . ?
Au1 P1 C1 C5 -157.6(3) . . . 5_676 ?
Au1 P1 C16 C17 69.5(3) . . . . ?
Au1 P1 C16 C21 -105.8(3) . . . . ?
Au1 P1 C22 C23 37.5(4) . . . . ?
Au1 P1 C22 C27 -142.6(3) . . . . ?
P1 C1 C2 C3 175.2(3) . . . . ?
P1 C16 C17 C18 -174.5(3) . . . . ?
P1 C16 C21 C20 174.3(3) . . . . ?
P1 C22 C23 C24 178.8(4) . . . . ?
P1 C22 C27 C26 179.8(3) . . . . ?
C1 P1 C16 C17 -53.9(3) . . . . ?
C1 P1 C16 C21 130.7(3) . . . . ?
C1 P1 C22 C23 164.8(3) . . . . ?
C1 P1 C22 C27 -15.3(4) . . . . ?
C1 C2 C3 C3 0.3(6) . . . 5_676 ?
C1 C2 C3 C4 -178.3(3) . . . . ?
C2 C3 C4 C5 180.0(4) . . . . ?
C3 C3 C4 C5 1.4(6) 5_676 . . . ?
C3 C4 C5 C1 0.2(6) . . . 5_676 ?
C5 C1 C2 C3 -1.9(5) 5_676 . . . ?
C12 C15 C28 C29 176.5(4) . . . . ?
C12 C15 C32 C31 -177.3(4) . . . . ?
C15 C28 C29 C30 0.6(6) . . . . ?
C16 P1 C1 C2 146.4(3) . . . . ?
C16 P1 C1 C5 -36.6(3) . . . 5_676 ?
C16 P1 C22 C23 -83.8(4) . . . . ?
C16 P1 C22 C27 96.1(3) . . . . ?
C16 C17 C18 C19 -0.1(6) . . . . ?
C17 C16 C21 C20 -1.0(6) . . . . ?
C17 C18 C19 C20 -0.8(6) . . . . ?
C18 C19 C20 C21 0.8(6) . . . . ?
C19 C20 C21 C16 0.1(6) . . . . ?
C21 C16 C17 C18 1.0(5) . . . . ?
C22 P1 C1 C2 -102.9(3) . . . . ?
C22 P1 C1 C5 74.2(3) . . . 5_676 ?
C22 P1 C16 C17 -165.6(3) . . . . ?
C22 P1 C16 C21 19.1(4) . . . . ?
C22 C23 C24 C25 2.5(8) . . . . ?
C23 C22 C27 C26 -0.4(6) . . . . ?
C23 C24 C25 C26 -2.5(8) . . . . ?
C24 C25 C26 C27 1.2(7) . . . . ?
C25 C26 C27 C22 0.3(6) . . . . ?
C27 C22 C23 C24 -1.0(7) . . . . ?
C28 C15 C32 C31 -0.6(6) . . . . ?
C28 C29 C30 C31 -0.2(7) . . . . ?
C29 C30 C31 C32 -0.6(8) . . . . ?
C30 C31 C32 C15 1.0(7) . . . . ?
C32 C15 C28 C29 -0.1(6) . . . . ?


####################################################################### 
# 
# 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_13
_database_code_depnum_ccdc_archive 'CCDC 1937321'
loop_
_audit_author_name
_audit_author_address
'Igor Koshevoy'
;University of Eastern Finland
Finland
;
_audit_update_record             
;
2019-06-29 deposited with the CCDC.	2019-08-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C116 H76 Au4 P4'
_chemical_formula_sum            'C116 H76 Au4 P4'
_chemical_formula_weight         2381.51

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'
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      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                   13.2298(5)
_cell_length_b                   14.7956(6)
_cell_length_c                   16.7821(6)
_cell_angle_alpha                66.1570(10)
_cell_angle_beta                 83.7050(10)
_cell_angle_gamma                64.1230(10)
_cell_volume                     2694.45(18)
_cell_formula_units_Z            1
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9801
_cell_measurement_theta_min      2.86
_cell_measurement_theta_max      33.86

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.468
_exptl_crystal_F_000             1148
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.490
_exptl_crystal_size_mid          0.394
_exptl_crystal_size_min          0.298
_exptl_absorpt_coefficient_mu    5.531
_shelx_estimated_absorpt_T_min   0.172
_shelx_estimated_absorpt_T_max   0.290
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.172
_exptl_absorpt_correction_T_max  0.290
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'

_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_measurement_device_type  'Bruker KAPPA APEX II CCD'
_diffrn_measurement_device       '62mm x 62mm CCD camera on κ-goniostat'
_diffrn_detector_area_resol_mean 16
_diffrn_measurement_method       'φ scans and ω scans with κ offset'
_diffrn_reflns_number            47531
_diffrn_reflns_av_unetI/netI     0.0184
_diffrn_reflns_av_R_equivalents  0.0228
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.516
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             10539
_reflns_number_gt                9586
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'APEX2 (Bruker AXS, 2010)'
_computing_cell_refinement       'SAINT (Bruker AXS, 2009)'
_computing_data_reduction        'SAINT (Bruker AXS, 2009)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Diamond v.4.03 (Brandenburg, 2014)'
_computing_publication_material  'SHELXL-2014 (Sheldrick, 2014)'

_refine_special_details          SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+26.0253P] 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         10539
_refine_ls_number_parameters     559
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0350
_refine_ls_R_factor_gt           0.0311
_refine_ls_wR_factor_ref         0.0786
_refine_ls_wR_factor_gt          0.0765
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_restrained_S_all      1.056
_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
C1 C 0.3715(5) 0.5140(5) 0.4408(4) 0.0296(12) Uani 1 1 d . . . . .
C2 C 0.3254(5) 0.5797(5) 0.4886(4) 0.0290(12) Uani 1 1 d . . . . .
C3 C 0.3227(6) 0.6854(5) 0.4592(4) 0.0384(14) Uani 1 1 d . . . . .
H3 H 0.3542 0.7124 0.4061 0.046 Uiso 1 1 calc R U . . .
C4 C 0.2751(6) 0.7490(6) 0.5064(5) 0.0443(16) Uani 1 1 d . . . . .
H4 H 0.2742 0.8194 0.4862 0.053 Uiso 1 1 calc R U . . .
C5 C 0.3715(5) 0.4108(5) 0.4703(4) 0.0302(12) Uani 1 1 d . . . . .
C6 C 0.4166(6) 0.3432(5) 0.4216(4) 0.0421(16) Uani 1 1 d . . . . .
H6 H 0.4473 0.3687 0.3677 0.051 Uiso 1 1 calc R U . . .
C7 C 0.2799(5) 0.4363(5) 0.5994(3) 0.0281(12) Uani 1 1 d . . . . .
C8 C 0.3245(5) 0.3705(5) 0.5512(4) 0.0319(13) Uani 1 1 d . . . . .
C9 C 0.3262(6) 0.2665(6) 0.5788(4) 0.0449(16) Uani 1 1 d . . . . .
H9 H 0.2966 0.2384 0.6326 0.054 Uiso 1 1 calc R U . . .
C10 C 0.3688(8) 0.2054(6) 0.5307(5) 0.059(2) Uani 1 1 d . . . . .
H10 H 0.3670 0.1363 0.5503 0.071 Uiso 1 1 calc R U . . .
C11 C 0.4161(7) 0.2437(7) 0.4514(5) 0.0544(19) Uani 1 1 d . . . . .
H11 H 0.4477 0.1994 0.4189 0.065 Uiso 1 1 calc R U . . .
C12 C 0.2779(5) 0.5406(5) 0.5689(3) 0.0286(12) Uani 1 1 d . . . . .
C13 C 0.2291(5) 0.6102(5) 0.6149(4) 0.0338(13) Uani 1 1 d . . . . .
H13 H 0.1966 0.5858 0.6681 0.041 Uiso 1 1 calc R U . . .
C14 C 0.2279(6) 0.7102(6) 0.5845(4) 0.0409(15) Uani 1 1 d . . . . .
H14 H 0.1945 0.7550 0.6165 0.049 Uiso 1 1 calc R U . . .
C15 C 0.4121(5) 0.5554(5) 0.3577(4) 0.0306(12) Uani 1 1 d . . . . .
C16 C 0.4421(5) 0.5910(5) 0.2868(4) 0.0302(12) Uani 1 1 d . . . . .
C17 C 0.2377(5) 0.3963(5) 0.6814(4) 0.0315(13) Uani 1 1 d . . . . .
C18 C 0.2049(5) 0.3636(5) 0.7519(4) 0.0301(12) Uani 1 1 d . . . . .
C19 C 0.8014(5) 0.4036(5) 0.1663(4) 0.0316(13) Uani 1 1 d . . . . .
C20 C 0.8833(5) 0.3259(5) 0.1743(4) 0.0328(13) Uani 1 1 d . . . . .
C21 C 0.9845(5) 0.2239(5) 0.1875(4) 0.0347(13) Uani 1 1 d . . . . .
C22 C 0.9780(6) 0.1238(6) 0.2144(5) 0.0488(18) Uani 1 1 d . . . . .
H22 H 0.9071 0.1215 0.2258 0.059 Uiso 1 1 calc R U . . .
C23 C 1.0732(7) 0.0288(6) 0.2244(6) 0.061(2) Uani 1 1 d . . . . .
H23 H 1.0676 -0.0385 0.2427 0.074 Uiso 1 1 calc R U . . .
C24 C 1.1761(6) 0.0315(6) 0.2078(5) 0.0492(18) Uani 1 1 d . . . . .
H24 H 1.2416 -0.0339 0.2143 0.059 Uiso 1 1 calc R U . . .
C25 C 1.1844(6) 0.1287(6) 0.1818(5) 0.0450(16) Uani 1 1 d . . . . .
H25 H 1.2559 0.1299 0.1710 0.054 Uiso 1 1 calc R U . . .
C26 C 1.0896(5) 0.2247(5) 0.1713(4) 0.0360(14) Uani 1 1 d . . . . .
H26 H 1.0962 0.2914 0.1529 0.043 Uiso 1 1 calc R U . . .
C27 C 0.6057(5) 0.7386(5) -0.0540(4) 0.0284(12) Uani 1 1 d . . . . .
C28 C 0.5420(5) 0.7623(5) -0.1117(4) 0.0318(13) Uani 1 1 d . . . . .
C29 C 0.4672(5) 0.7924(5) -0.1832(4) 0.0320(13) Uani 1 1 d . . . . .
C30 C 0.4037(7) 0.9018(6) -0.2370(5) 0.0523(19) Uani 1 1 d . . . . .
H30 H 0.4074 0.9578 -0.2249 0.063 Uiso 1 1 calc R U . . .
C31 C 0.3349(7) 0.9302(7) -0.3085(5) 0.060(2) Uani 1 1 d . . . . .
H31 H 0.2956 1.0050 -0.3465 0.072 Uiso 1 1 calc R U . . .
C32 C 0.3234(6) 0.8527(6) -0.3242(4) 0.0436(16) Uani 1 1 d . . . . .
H32 H 0.2745 0.8731 -0.3721 0.052 Uiso 1 1 calc R U . . .
C33 C 0.3831(6) 0.7432(6) -0.2706(4) 0.0423(16) Uani 1 1 d . . . . .
H33 H 0.3744 0.6885 -0.2814 0.051 Uiso 1 1 calc R U . . .
C34 C 0.4549(5) 0.7134(5) -0.2017(4) 0.0366(14) Uani 1 1 d . . . . .
H34 H 0.4969 0.6380 -0.1661 0.044 Uiso 1 1 calc R U . . .
C35 C 0.3610(5) 0.6695(5) 0.1139(4) 0.0303(12) Uani 1 1 d . . . . .
C36 C 0.3807(6) 0.6415(6) 0.0423(4) 0.0396(15) Uani 1 1 d . . . . .
H36 H 0.4556 0.6083 0.0277 0.048 Uiso 1 1 calc R U . . .
C37 C 0.2902(7) 0.6623(7) -0.0077(5) 0.0523(19) Uani 1 1 d . . . . .
H37 H 0.3032 0.6429 -0.0566 0.063 Uiso 1 1 calc R U . . .
C38 C 0.1823(6) 0.7107(6) 0.0131(5) 0.0485(18) Uani 1 1 d . . . . .
H38 H 0.1208 0.7257 -0.0222 0.058 Uiso 1 1 calc R U . . .
C39 C 0.1622(6) 0.7377(6) 0.0846(5) 0.0487(18) Uani 1 1 d . . . . .
H39 H 0.0871 0.7707 0.0989 0.058 Uiso 1 1 calc R U . . .
C40 C 0.2519(5) 0.7167(5) 0.1357(4) 0.0374(14) Uani 1 1 d . . . . .
H40 H 0.2385 0.7346 0.1854 0.045 Uiso 1 1 calc R U . . .
C41 C 0.4616(4) 0.7772(4) 0.1653(4) 0.0262(11) Uani 1 1 d . . . . .
C42 C 0.4941(5) 0.7911(5) 0.2337(4) 0.0347(13) Uani 1 1 d . . . . .
H42 H 0.5187 0.7319 0.2894 0.042 Uiso 1 1 calc R U . . .
C43 C 0.4909(6) 0.8901(6) 0.2214(5) 0.0425(15) Uani 1 1 d . . . . .
H43 H 0.5139 0.8991 0.2682 0.051 Uiso 1 1 calc R U . . .
C44 C 0.4538(5) 0.9767(5) 0.1401(5) 0.0422(16) Uani 1 1 d . . . . .
H44 H 0.4527 1.0447 0.1311 0.051 Uiso 1 1 calc R U . . .
C45 C 0.4187(5) 0.9645(5) 0.0730(4) 0.0370(14) Uani 1 1 d . . . . .
H45 H 0.3910 1.0247 0.0181 0.044 Uiso 1 1 calc R U . . .
C46 C 0.4235(5) 0.8644(5) 0.0849(4) 0.0311(13) Uani 1 1 d . . . . .
H46 H 0.4007 0.8556 0.0378 0.037 Uiso 1 1 calc R U . . .
C47 C 0.9790(5) 0.5790(5) 0.1489(4) 0.0305(12) Uani 1 1 d . . . . .
C48 C 1.0473(6) 0.5278(7) 0.2258(5) 0.055(2) Uani 1 1 d . . . . .
H48 H 1.0177 0.5418 0.2760 0.066 Uiso 1 1 calc R U . . .
C49 C 1.1599(6) 0.4556(8) 0.2290(6) 0.068(3) Uani 1 1 d . . . . .
H49 H 1.2073 0.4196 0.2814 0.082 Uiso 1 1 calc R U . . .
C50 C 1.2022(6) 0.4365(6) 0.1553(6) 0.054(2) Uani 1 1 d . . . . .
H50 H 1.2791 0.3884 0.1567 0.065 Uiso 1 1 calc R U . . .
C51 C 1.1345(5) 0.4859(5) 0.0823(5) 0.0416(16) Uani 1 1 d . . . . .
H51 H 1.1644 0.4707 0.0327 0.050 Uiso 1 1 calc R U . . .
C52 C 1.0221(5) 0.5588(5) 0.0762(4) 0.0328(13) Uani 1 1 d . . . . .
H52 H 0.9761 0.5939 0.0232 0.039 Uiso 1 1 calc R U . . .
C53 C 0.8464(5) 0.8035(5) 0.1247(4) 0.0288(12) Uani 1 1 d . . . . .
C54 C 0.8581(7) 0.8283(7) 0.1931(5) 0.057(2) Uani 1 1 d . . . . .
H54 H 0.8585 0.7806 0.2517 0.068 Uiso 1 1 calc R U . . .
C55 C 0.8692(9) 0.9229(8) 0.1758(6) 0.072(3) Uani 1 1 d . . . . .
H55 H 0.8756 0.9405 0.2230 0.086 Uiso 1 1 calc R U . . .
C56 C 0.8710(7) 0.9917(7) 0.0921(6) 0.062(2) Uani 1 1 d . . . . .
H56 H 0.8782 1.0567 0.0813 0.074 Uiso 1 1 calc R U . . .
C57 C 0.8623(6) 0.9660(6) 0.0234(5) 0.0469(17) Uani 1 1 d . . . . .
H57 H 0.8653 1.0123 -0.0350 0.056 Uiso 1 1 calc R U . . .
C58 C 0.8494(5) 0.8738(5) 0.0401(4) 0.0375(14) Uani 1 1 d . . . . .
H58 H 0.8423 0.8571 -0.0074 0.045 Uiso 1 1 calc R U . . .
P1 P 0.47811(12) 0.64354(12) 0.17910(9) 0.0244(3) Uani 1 1 d . . . . .
P2 P 0.83543(12) 0.67933(12) 0.14118(9) 0.0253(3) Uani 1 1 d . . . . .
Au1 Au 0.65098(2) 0.52493(2) 0.16363(2) 0.02567(6) Uani 1 1 d . . . . .
Au2 Au 0.71373(2) 0.70533(2) 0.04005(2) 0.02536(6) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C5 1.402(8) . ?
C1 C2 1.403(8) . ?
C1 C15 1.428(8) . ?
C2 C3 1.422(8) . ?
C2 C12 1.431(8) . ?
C3 C4 1.374(9) . ?
C3 H3 0.9500 . ?
C4 C14 1.400(9) . ?
C4 H4 0.9500 . ?
C5 C6 1.433(8) . ?
C5 C8 1.439(8) . ?
C6 C11 1.353(10) . ?
C6 H6 0.9500 . ?
C7 C12 1.405(8) . ?
C7 C8 1.407(8) . ?
C7 C17 1.420(8) . ?
C8 C9 1.408(9) . ?
C9 C10 1.353(10) . ?
C9 H9 0.9500 . ?
C10 C11 1.415(10) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 C13 1.423(8) . ?
C13 C14 1.350(9) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C16 1.193(8) . ?
C16 P1 1.760(6) . ?
C17 C18 1.196(8) . ?
C18 P2 1.752(6) 2_666 ?
C19 C20 1.155(8) . ?
C19 Au1 2.005(6) . ?
C20 C21 1.466(9) . ?
C21 C26 1.391(9) . ?
C21 C22 1.402(9) . ?
C22 C23 1.378(10) . ?
C22 H22 0.9500 . ?
C23 C24 1.374(11) . ?
C23 H23 0.9500 . ?
C24 C25 1.376(10) . ?
C24 H24 0.9500 . ?
C25 C26 1.383(9) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C28 1.189(8) . ?
C27 Au2 2.008(6) . ?
C28 C29 1.436(8) . ?
C29 C30 1.393(9) . ?
C29 C34 1.399(8) . ?
C30 C31 1.394(10) . ?
C30 H30 0.9500 . ?
C31 C32 1.347(10) . ?
C31 H31 0.9500 . ?
C32 C33 1.385(10) . ?
C32 H32 0.9500 . ?
C33 C34 1.379(9) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C35 C40 1.384(9) . ?
C35 C36 1.386(9) . ?
C35 P1 1.806(6) . ?
C36 C37 1.387(9) . ?
C36 H36 0.9500 . ?
C37 C38 1.368(11) . ?
C37 H37 0.9500 . ?
C38 C39 1.377(11) . ?
C38 H38 0.9500 . ?
C39 C40 1.388(9) . ?
C39 H39 0.9500 . ?
C40 H40 0.9500 . ?
C41 C46 1.383(8) . ?
C41 C42 1.386(8) . ?
C41 P1 1.811(6) . ?
C42 C43 1.375(9) . ?
C42 H42 0.9500 . ?
C43 C44 1.388(10) . ?
C43 H43 0.9500 . ?
C44 C45 1.367(10) . ?
C44 H44 0.9500 . ?
C45 C46 1.385(9) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C47 C52 1.377(8) . ?
C47 C48 1.388(9) . ?
C47 P2 1.807(6) . ?
C48 C49 1.394(10) . ?
C48 H48 0.9500 . ?
C49 C50 1.383(11) . ?
C49 H49 0.9500 . ?
C50 C51 1.335(11) . ?
C50 H50 0.9500 . ?
C51 C52 1.389(8) . ?
C51 H51 0.9500 . ?
C52 H52 0.9500 . ?
C53 C54 1.379(9) . ?
C53 C58 1.389(8) . ?
C53 P2 1.813(6) . ?
C54 C55 1.380(11) . ?
C54 H54 0.9500 . ?
C55 C56 1.366(12) . ?
C55 H55 0.9500 . ?
C56 C57 1.382(11) . ?
C56 H56 0.9500 . ?
C57 C58 1.361(9) . ?
C57 H57 0.9500 . ?
C58 H58 0.9500 . ?
P1 Au1 2.2611(14) . ?
P2 C18 1.752(6) 2_666 ?
P2 Au2 2.2697(14) . ?
Au1 Au2 3.0326(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C5 C1 C2 121.1(5) . . ?
C5 C1 C15 119.1(5) . . ?
C2 C1 C15 119.7(5) . . ?
C1 C2 C3 122.0(5) . . ?
C1 C2 C12 119.4(5) . . ?
C3 C2 C12 118.5(5) . . ?
C4 C3 C2 120.9(6) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
C3 C4 C14 120.0(6) . . ?
C3 C4 H4 120.0 . . ?
C14 C4 H4 120.0 . . ?
C1 C5 C6 121.8(5) . . ?
C1 C5 C8 119.9(5) . . ?
C6 C5 C8 118.3(6) . . ?
C11 C6 C5 120.9(6) . . ?
C11 C6 H6 119.5 . . ?
C5 C6 H6 119.5 . . ?
C12 C7 C8 121.3(5) . . ?
C12 C7 C17 118.9(5) . . ?
C8 C7 C17 119.7(6) . . ?
C9 C8 C7 123.1(6) . . ?
C9 C8 C5 118.2(6) . . ?
C7 C8 C5 118.7(6) . . ?
C10 C9 C8 121.7(6) . . ?
C10 C9 H9 119.1 . . ?
C8 C9 H9 119.1 . . ?
C9 C10 C11 120.5(7) . . ?
C9 C10 H10 119.7 . . ?
C11 C10 H10 119.7 . . ?
C6 C11 C10 120.3(7) . . ?
C6 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C7 C12 C13 122.2(5) . . ?
C7 C12 C2 119.6(5) . . ?
C13 C12 C2 118.2(6) . . ?
C14 C13 C12 121.4(6) . . ?
C14 C13 H13 119.3 . . ?
C12 C13 H13 119.3 . . ?
C13 C14 C4 121.0(6) . . ?
C13 C14 H14 119.5 . . ?
C4 C14 H14 119.5 . . ?
C16 C15 C1 177.4(6) . . ?
C15 C16 P1 175.9(5) . . ?
C18 C17 C7 177.3(7) . . ?
C17 C18 P2 174.3(6) . 2_666 ?
C20 C19 Au1 172.3(6) . . ?
C19 C20 C21 177.1(7) . . ?
C26 C21 C22 118.2(6) . . ?
C26 C21 C20 120.5(6) . . ?
C22 C21 C20 121.3(6) . . ?
C23 C22 C21 120.9(7) . . ?
C23 C22 H22 119.5 . . ?
C21 C22 H22 119.5 . . ?
C24 C23 C22 119.9(7) . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C24 C25 120.1(6) . . ?
C23 C24 H24 120.0 . . ?
C25 C24 H24 120.0 . . ?
C24 C25 C26 120.5(6) . . ?
C24 C25 H25 119.7 . . ?
C26 C25 H25 119.7 . . ?
C25 C26 C21 120.3(6) . . ?
C25 C26 H26 119.8 . . ?
C21 C26 H26 119.8 . . ?
C28 C27 Au2 177.3(5) . . ?
C27 C28 C29 178.2(7) . . ?
C30 C29 C34 117.3(6) . . ?
C30 C29 C28 121.1(6) . . ?
C34 C29 C28 121.6(6) . . ?
C29 C30 C31 120.8(7) . . ?
C29 C30 H30 119.6 . . ?
C31 C30 H30 119.6 . . ?
C32 C31 C30 120.7(7) . . ?
C32 C31 H31 119.6 . . ?
C30 C31 H31 119.6 . . ?
C31 C32 C33 119.9(6) . . ?
C31 C32 H32 120.0 . . ?
C33 C32 H32 120.0 . . ?
C34 C33 C32 120.1(6) . . ?
C34 C33 H33 120.0 . . ?
C32 C33 H33 120.0 . . ?
C33 C34 C29 121.1(6) . . ?
C33 C34 H34 119.4 . . ?
C29 C34 H34 119.4 . . ?
C40 C35 C36 120.2(6) . . ?
C40 C35 P1 120.0(5) . . ?
C36 C35 P1 119.8(5) . . ?
C35 C36 C37 119.4(7) . . ?
C35 C36 H36 120.3 . . ?
C37 C36 H36 120.3 . . ?
C38 C37 C36 120.3(7) . . ?
C38 C37 H37 119.8 . . ?
C36 C37 H37 119.8 . . ?
C37 C38 C39 120.5(6) . . ?
C37 C38 H38 119.7 . . ?
C39 C38 H38 119.7 . . ?
C38 C39 C40 119.9(7) . . ?
C38 C39 H39 120.1 . . ?
C40 C39 H39 120.1 . . ?
C35 C40 C39 119.6(6) . . ?
C35 C40 H40 120.2 . . ?
C39 C40 H40 120.2 . . ?
C46 C41 C42 119.5(6) . . ?
C46 C41 P1 120.2(5) . . ?
C42 C41 P1 120.1(4) . . ?
C43 C42 C41 120.3(6) . . ?
C43 C42 H42 119.8 . . ?
C41 C42 H42 119.8 . . ?
C42 C43 C44 119.7(6) . . ?
C42 C43 H43 120.2 . . ?
C44 C43 H43 120.2 . . ?
C45 C44 C43 120.3(6) . . ?
C45 C44 H44 119.8 . . ?
C43 C44 H44 119.8 . . ?
C44 C45 C46 120.1(6) . . ?
C44 C45 H45 120.0 . . ?
C46 C45 H45 120.0 . . ?
C41 C46 C45 120.0(6) . . ?
C41 C46 H46 120.0 . . ?
C45 C46 H46 120.0 . . ?
C52 C47 C48 120.2(6) . . ?
C52 C47 P2 119.4(5) . . ?
C48 C47 P2 120.2(5) . . ?
C47 C48 C49 119.5(7) . . ?
C47 C48 H48 120.3 . . ?
C49 C48 H48 120.3 . . ?
C50 C49 C48 119.7(7) . . ?
C50 C49 H49 120.2 . . ?
C48 C49 H49 120.2 . . ?
C51 C50 C49 119.8(7) . . ?
C51 C50 H50 120.1 . . ?
C49 C50 H50 120.1 . . ?
C50 C51 C52 122.4(7) . . ?
C50 C51 H51 118.8 . . ?
C52 C51 H51 118.8 . . ?
C47 C52 C51 118.4(6) . . ?
C47 C52 H52 120.8 . . ?
C51 C52 H52 120.8 . . ?
C54 C53 C58 118.4(6) . . ?
C54 C53 P2 122.7(5) . . ?
C58 C53 P2 118.8(5) . . ?
C55 C54 C53 119.6(7) . . ?
C55 C54 H54 120.2 . . ?
C53 C54 H54 120.2 . . ?
C56 C55 C54 121.2(8) . . ?
C56 C55 H55 119.4 . . ?
C54 C55 H55 119.4 . . ?
C55 C56 C57 119.6(7) . . ?
C55 C56 H56 120.2 . . ?
C57 C56 H56 120.2 . . ?
C58 C57 C56 119.3(7) . . ?
C58 C57 H57 120.3 . . ?
C56 C57 H57 120.3 . . ?
C57 C58 C53 121.8(6) . . ?
C57 C58 H58 119.1 . . ?
C53 C58 H58 119.1 . . ?
C16 P1 C35 103.1(3) . . ?
C16 P1 C41 102.7(3) . . ?
C35 P1 C41 105.4(3) . . ?
C16 P1 Au1 109.7(2) . . ?
C35 P1 Au1 117.1(2) . . ?
C41 P1 Au1 117.08(18) . . ?
C18 P2 C47 103.9(3) 2_666 . ?
C18 P2 C53 103.9(3) 2_666 . ?
C47 P2 C53 105.1(3) . . ?
C18 P2 Au2 113.3(2) 2_666 . ?
C47 P2 Au2 116.4(2) . . ?
C53 P2 Au2 112.98(19) . . ?
C19 Au1 P1 171.59(18) . . ?
C19 Au1 Au2 94.32(18) . . ?
P1 Au1 Au2 93.58(4) . . ?
C27 Au2 P2 176.06(17) . . ?
C27 Au2 Au1 89.81(17) . . ?
P2 Au2 Au1 93.90(4) . . ?

_refine_diff_density_max         1.577
_refine_diff_density_min         -1.043
_refine_diff_density_rms         0.126



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

data_Complex_1
_database_code_depnum_ccdc_archive 'CCDC 993387'
_audit_update_record             
;
2015-03-17 deposited with the CCDC.	2019-08-08 downloaded from the CCDC.
;
_audit_creation_date             2014-03-21
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.03.12 svn.r2899 for OlexSys, GUI svn.r4796)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C108 H76 Au4 P4, 4.52(C0.42 H0.84 Cl0.84)'
_chemical_formula_sum            'C109.91 H79.82 Au4 Cl3.82 P4'
_chemical_formula_weight         2447.64
_chemical_melting_point          ?

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.6199(3)
_cell_length_b                   16.5507(2)
_cell_length_c                   20.7234(6)
_cell_angle_alpha                90
_cell_angle_beta                 101.121(2)
_cell_angle_gamma                90
_cell_volume                     4920.27(19)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9420
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.8090
_cell_measurement_theta_min      3.0650
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.160
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.87910
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.652
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             2360
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.19
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0307
_diffrn_reflns_av_unetI/netI     0.0469
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            26402
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_min         2.657
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.2096
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0047374000
_diffrn_orient_matrix_UB_12      0.0353727000
_diffrn_orient_matrix_UB_13      -0.0184075000
_diffrn_orient_matrix_UB_21      0.0112591000
_diffrn_orient_matrix_UB_22      -0.0241076000
_diffrn_orient_matrix_UB_23      -0.0256732000
_diffrn_orient_matrix_UB_31      -0.0479188000
_diffrn_orient_matrix_UB_32      -0.0021593000
_diffrn_orient_matrix_UB_33      -0.0147548000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8762
_reflns_number_total             10893
_reflns_odcompleteness_completeness 99.87
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         2.424
_refine_diff_density_min         -1.881
_refine_diff_density_rms         0.160
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     570
_refine_ls_number_reflns         10893
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0555
_refine_ls_R_factor_gt           0.0387
_refine_ls_restrained_S_all      1.062
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0429P)²+15.0275P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0911
_refine_ls_wR_factor_ref         0.0994
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
2. Restrained distances
 Cl3-C56 = Cl4A-C56 = Cl4B-C56
 1.75 with sigma of 0.02
 Cl4A-C56
 1.8 with sigma of 0.02
 Cl4B-C56
 1.8 with sigma of 0.02
 Cl3-C56
 1.8 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(Cl3) = Uanis(C56) = Uanis(Cl4A) = Uanis(Cl4B)
4. Others
 Sof(Cl1)=Sof(Cl2)=Sof(C55)=Sof(H55A)=Sof(H55B)=FVAR(1)
 Sof(Cl4A)=Sof(Cl4B)=Sof(H56A)=Sof(H56B)=Sof(H56C)=Sof(H56D)=0.5*FVAR(3)
 Sof(Cl3)=Sof(C56)=FVAR(2)
5.a Secondary CH2 refined with riding coordinates:
 C56(H56A,H56B), C56(H56C,H56D), C55(H55A,H55B)
5.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C10(H10), C11(H11), C12(H12), C13(H13),
 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),
 C34(H34), C35(H35), C36(H36), C37(H37), C38(H38), C44(H44), C45(H45), C46(H46),
  C47(H47), C48(H48), C50(H50), C51(H51), C52(H52), C53(H53), C54(H54)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.72846(2) 0.30075(2) 0.50670(2) 0.02482(7) Uani 1 1 d . . . . .
Au2 Au 0.73605(2) 0.31973(2) 0.65605(2) 0.02460(7) Uani 1 1 d . . . . .
P1 P 0.73462(10) 0.42126(8) 0.45457(8) 0.0206(3) Uani 1 1 d . . . . .
P2 P 0.58230(10) 0.32762(8) 0.66104(8) 0.0197(3) Uani 1 1 d . . . . .
C1 C 0.6249(4) 0.4788(3) 0.4382(3) 0.0182(11) Uani 1 1 d . . . . .
C2 C 0.5546(4) 0.4564(3) 0.3836(3) 0.0198(12) Uani 1 1 d . . . . .
C3 C 0.5532(4) 0.3797(3) 0.3527(3) 0.0217(12) Uani 1 1 d . . . . .
H3 H 0.6005 0.3428 0.3679 0.026 Uiso 1 1 calc R . . . .
C4 C 0.4839(4) 0.3587(3) 0.3010(3) 0.0222(12) Uani 1 1 d . . . . .
H4 H 0.4848 0.3084 0.2810 0.027 Uiso 1 1 calc R . . . .
C5 C 0.4112(4) 0.4135(3) 0.2780(3) 0.0246(13) Uani 1 1 d . . . . .
H5 H 0.3631 0.3985 0.2439 0.029 Uiso 1 1 calc R . . . .
C6 C 0.4106(4) 0.4885(3) 0.3054(3) 0.0226(12) Uani 1 1 d . . . . .
H6 H 0.3623 0.5240 0.2893 0.027 Uiso 1 1 calc R . . . .
C7 C 0.4825(4) 0.5134(3) 0.3583(3) 0.0178(11) Uani 1 1 d . . . . .
C8 C 0.4841(4) 0.5911(3) 0.3865(3) 0.0194(12) Uani 1 1 d . . . . .
C9 C 0.5380(4) 0.6043(3) 0.4493(3) 0.0196(11) Uani 1 1 d . . . . .
C10 C 0.5253(4) 0.6734(3) 0.4883(3) 0.0209(12) Uani 1 1 d . . . . .
H10 H 0.4791 0.7107 0.4720 0.025 Uiso 1 1 calc R . . . .
C11 C 0.5792(4) 0.6856(3) 0.5487(3) 0.0243(13) Uani 1 1 d . . . . .
H11 H 0.5700 0.7312 0.5729 0.029 Uiso 1 1 calc R . . . .
C12 C 0.6493(4) 0.6294(3) 0.5750(3) 0.0249(13) Uani 1 1 d . . . . .
H12 H 0.6866 0.6389 0.6160 0.030 Uiso 1 1 calc R . . . .
C13 C 0.6631(4) 0.5612(3) 0.5410(3) 0.0217(12) Uani 1 1 d . . . . .
H13 H 0.7074 0.5236 0.5600 0.026 Uiso 1 1 calc R . . . .
C14 C 0.6102(4) 0.5471(3) 0.4764(3) 0.0194(11) Uani 1 1 d . . . . .
C15 C 0.7637(4) 0.4037(3) 0.3733(3) 0.0217(12) Uani 1 1 d . . . . .
C16 C 0.8135(4) 0.3341(4) 0.3644(3) 0.0285(14) Uani 1 1 d . . . . .
H16 H 0.8287 0.2970 0.3984 0.034 Uiso 1 1 calc R . . . .
C17 C 0.8405(5) 0.3200(4) 0.3047(4) 0.0355(16) Uani 1 1 d . . . . .
H17 H 0.8737 0.2735 0.2992 0.043 Uiso 1 1 calc R . . . .
C18 C 0.8186(4) 0.3744(4) 0.2533(3) 0.0362(16) Uani 1 1 d . . . . .
H18 H 0.8363 0.3643 0.2133 0.043 Uiso 1 1 calc R . . . .
C19 C 0.7700(5) 0.4444(4) 0.2622(3) 0.0380(16) Uani 1 1 d . . . . .
H19 H 0.7564 0.4820 0.2283 0.046 Uiso 1 1 calc R . . . .
C20 C 0.7417(4) 0.4586(4) 0.3211(3) 0.0318(14) Uani 1 1 d . . . . .
H20 H 0.7078 0.5049 0.3261 0.038 Uiso 1 1 calc R . . . .
C21 C 0.8241(4) 0.4929(3) 0.4914(3) 0.0242(12) Uani 1 1 d . . . . .
C22 C 0.8311(4) 0.5681(4) 0.4625(4) 0.0355(16) Uani 1 1 d . . . . .
H22 H 0.7913 0.5810 0.4232 0.043 Uiso 1 1 calc R . . . .
C23 C 0.8969(5) 0.6239(5) 0.4916(4) 0.049(2) Uani 1 1 d . . . . .
H23 H 0.9008 0.6741 0.4722 0.059 Uiso 1 1 calc R . . . .
C24 C 0.9564(5) 0.6045(5) 0.5495(4) 0.050(2) Uani 1 1 d . . . . .
H24 H 0.9999 0.6421 0.5697 0.060 Uiso 1 1 calc R . . . .
C25 C 0.9516(5) 0.5303(5) 0.5773(4) 0.0458(19) Uani 1 1 d . . . . .
H25 H 0.9930 0.5174 0.6159 0.055 Uiso 1 1 calc R . . . .
C26 C 0.8854(4) 0.4731(4) 0.5488(3) 0.0350(15) Uani 1 1 d . . . . .
H26 H 0.8828 0.4227 0.5681 0.042 Uiso 1 1 calc R . . . .
C27 C 0.5669(4) 0.3443(3) 0.7457(3) 0.0222(12) Uani 1 1 d . . . . .
C28 C 0.6419(4) 0.3308(3) 0.7976(3) 0.0282(14) Uani 1 1 d . . . . .
H28 H 0.6995 0.3155 0.7889 0.034 Uiso 1 1 calc R . . . .
C29 C 0.6309(5) 0.3400(4) 0.8618(3) 0.0349(16) Uani 1 1 d . . . . .
H29 H 0.6813 0.3318 0.8961 0.042 Uiso 1 1 calc R . . . .
C30 C 0.5430(5) 0.3618(3) 0.8752(3) 0.0345(16) Uani 1 1 d . . . . .
H30 H 0.5352 0.3678 0.9184 0.041 Uiso 1 1 calc R . . . .
C31 C 0.4701(4) 0.3739(3) 0.8248(3) 0.0278(14) Uani 1 1 d . . . . .
H31 H 0.4122 0.3876 0.8337 0.033 Uiso 1 1 calc R . . . .
C32 C 0.4808(4) 0.3662(3) 0.7604(3) 0.0259(13) Uani 1 1 d . . . . .
H32 H 0.4303 0.3756 0.7265 0.031 Uiso 1 1 calc R . . . .
C33 C 0.5159(4) 0.2349(3) 0.6418(3) 0.0241(13) Uani 1 1 d . . . . .
C34 C 0.4176(4) 0.2333(3) 0.6301(3) 0.0248(13) Uani 1 1 d . . . . .
H34 H 0.3842 0.2812 0.6292 0.030 Uiso 1 1 calc R . . . .
C35 C 0.3710(5) 0.1602(4) 0.6200(3) 0.0331(15) Uani 1 1 d . . . . .
H35 H 0.3062 0.1591 0.6115 0.040 Uiso 1 1 calc R . . . .
C36 C 0.4204(5) 0.0890(4) 0.6224(4) 0.0397(17) Uani 1 1 d . . . . .
H36 H 0.3888 0.0400 0.6161 0.048 Uiso 1 1 calc R . . . .
C37 C 0.5167(5) 0.0900(3) 0.6340(4) 0.0389(17) Uani 1 1 d . . . . .
H37 H 0.5495 0.0417 0.6351 0.047 Uiso 1 1 calc R . . . .
C38 C 0.5646(5) 0.1623(3) 0.6440(3) 0.0310(14) Uani 1 1 d . . . . .
H38 H 0.6294 0.1625 0.6523 0.037 Uiso 1 1 calc R . . . .
C39 C 0.8781(4) 0.3131(4) 0.6688(3) 0.0294(14) Uani 1 1 d . . . . .
C40 C 0.9564(5) 0.3049(4) 0.6848(4) 0.0364(16) Uani 1 1 d . . . . .
C41 C 0.7237(5) 0.1855(4) 0.5361(3) 0.0367(16) Uani 1 1 d . . . . .
C42 C 0.7273(5) 0.1155(4) 0.5485(3) 0.0381(17) Uani 1 1 d . . . . .
C43 C 0.7326(6) 0.0294(4) 0.5620(4) 0.045(2) Uani 1 1 d . . . . .
C44 C 0.8119(7) -0.0038(5) 0.6003(4) 0.059(2) Uani 1 1 d . . . . .
H44 H 0.8617 0.0291 0.6186 0.071 Uiso 1 1 calc R . . . .
C45 C 0.8164(8) -0.0885(5) 0.6111(5) 0.073(3) Uani 1 1 d . . . . .
H45 H 0.8687 -0.1112 0.6376 0.088 Uiso 1 1 calc R . . . .
C46 C 0.7431(8) -0.1370(5) 0.5823(5) 0.067(3) Uani 1 1 d . . . . .
H46 H 0.7472 -0.1926 0.5889 0.081 Uiso 1 1 calc R . . . .
C47 C 0.6650(7) -0.1051(5) 0.5445(4) 0.058(2) Uani 1 1 d . . . . .
H47 H 0.6158 -0.1384 0.5257 0.070 Uiso 1 1 calc R . . . .
C48 C 0.6595(7) -0.0227(4) 0.5342(4) 0.052(2) Uani 1 1 d . . . . .
H48 H 0.6061 -0.0010 0.5082 0.062 Uiso 1 1 calc R . . . .
C49 C 1.0563(4) 0.2892(4) 0.7074(3) 0.0313(14) Uani 1 1 d . . . . .
C50 C 1.1226(5) 0.3445(5) 0.7000(4) 0.055(2) Uani 1 1 d . . . . .
H50 H 1.1056 0.3939 0.6800 0.066 Uiso 1 1 calc R . . . .
C51 C 1.2173(5) 0.3258(5) 0.7230(5) 0.057(2) Uani 1 1 d . . . . .
H51 H 1.2622 0.3637 0.7175 0.068 Uiso 1 1 calc R . . . .
C52 C 1.2444(5) 0.2576(4) 0.7516(4) 0.047(2) Uani 1 1 d . . . . .
H52 H 1.3076 0.2474 0.7662 0.056 Uiso 1 1 calc R . . . .
C53 C 1.1788(6) 0.2002(5) 0.7601(6) 0.080(4) Uani 1 1 d . . . . .
H53 H 1.1974 0.1510 0.7801 0.096 Uiso 1 1 calc R . . . .
C54 C 1.0850(6) 0.2171(5) 0.7386(6) 0.076(3) Uani 1 1 d . . . . .
H54 H 1.0406 0.1794 0.7452 0.091 Uiso 1 1 calc R . . . .
Cl3 Cl 0.9164(3) 0.2387(3) 0.5725(3) 0.0536(15) Uani 0.422(6) 1 d D . P A .
Cl4A Cl 1.0626(6) 0.1493(5) 0.5739(5) 0.0536(15) Uani 0.211(3) 1 d D . P A 1
Cl4B Cl 0.9622(6) 0.1757(5) 0.4412(5) 0.0536(15) Uani 0.211(3) 1 d D . P A 2
C56 C 0.9612(10) 0.1717(9) 0.5227(6) 0.0536(15) Uani 0.422(6) 1 d D . P . .
H56A H 0.9218 0.1245 0.5122 0.064 Uiso 0.211(3) 1 calc R . P A 1
H56B H 0.9712 0.1970 0.4824 0.064 Uiso 0.211(3) 1 calc R . P A 1
H56C H 1.0261 0.1654 0.5436 0.064 Uiso 0.211(3) 1 calc R . P A 2
H56D H 0.9315 0.1205 0.5287 0.064 Uiso 0.211(3) 1 calc R . P A 2
Cl1 Cl 0.8090(3) 0.4990(3) 0.8311(3) 0.0772(17) Uani 0.533(6) 1 d . . P . .
Cl2 Cl 0.9777(3) 0.5006(3) 0.7767(3) 0.0744(16) Uani 0.533(6) 1 d . . P . .
C55 C 0.8883(12) 0.4460(10) 0.8037(9) 0.070(5) Uani 0.533(6) 1 d . . P . .
H55A H 0.8570 0.4130 0.7674 0.083 Uiso 0.533(6) 1 calc R . P . .
H55B H 0.9171 0.4096 0.8384 0.083 Uiso 0.533(6) 1 calc R . P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 Au2 3.0917(4) . ?
Au1 P1 2.2783(14) . ?
Au1 C41 2.007(6) . ?
Au2 P2 2.2737(15) . ?
Au2 C39 2.046(7) . ?
P1 C1 1.840(5) . ?
P1 C15 1.837(6) . ?
P1 C21 1.821(6) . ?
P2 C8 1.831(5) 3_666 ?
P2 C27 1.832(6) . ?
P2 C33 1.818(6) . ?
C1 C2 1.424(7) . ?
C1 C14 1.419(7) . ?
C2 C3 1.421(7) . ?
C2 C7 1.436(7) . ?
C3 H3 0.9300 . ?
C3 C4 1.371(8) . ?
C4 H4 0.9300 . ?
C4 C5 1.408(8) . ?
C5 H5 0.9300 . ?
C5 C6 1.365(8) . ?
C6 H6 0.9300 . ?
C6 C7 1.425(7) . ?
C7 C8 1.412(7) . ?
C8 P2 1.831(5) 3_666 ?
C8 C9 1.402(8) . ?
C9 C10 1.434(8) . ?
C9 C14 1.448(7) . ?
C10 H10 0.9300 . ?
C10 C11 1.360(8) . ?
C11 H11 0.9300 . ?
C11 C12 1.414(8) . ?
C12 H12 0.9300 . ?
C12 C13 1.365(8) . ?
C13 H13 0.9300 . ?
C13 C14 1.430(8) . ?
C15 C16 1.394(8) . ?
C15 C20 1.402(8) . ?
C16 H16 0.9300 . ?
C16 C17 1.387(10) . ?
C17 H17 0.9300 . ?
C17 C18 1.385(10) . ?
C18 H18 0.9300 . ?
C18 C19 1.390(9) . ?
C19 H19 0.9300 . ?
C19 C20 1.383(9) . ?
C20 H20 0.9300 . ?
C21 C22 1.393(8) . ?
C21 C26 1.384(8) . ?
C22 H22 0.9300 . ?
C22 C23 1.385(9) . ?
C23 H23 0.9300 . ?
C23 C24 1.377(11) . ?
C24 H24 0.9300 . ?
C24 C25 1.365(11) . ?
C25 H25 0.9300 . ?
C25 C26 1.399(9) . ?
C26 H26 0.9300 . ?
C27 C28 1.398(8) . ?
C27 C32 1.399(8) . ?
C28 H28 0.9300 . ?
C28 C29 1.377(9) . ?
C29 H29 0.9300 . ?
C29 C30 1.414(10) . ?
C30 H30 0.9300 . ?
C30 C31 1.354(9) . ?
C31 H31 0.9300 . ?
C31 C32 1.378(9) . ?
C32 H32 0.9300 . ?
C33 C34 1.411(8) . ?
C33 C38 1.392(8) . ?
C34 H34 0.9300 . ?
C34 C35 1.384(8) . ?
C35 H35 0.9300 . ?
C35 C36 1.378(9) . ?
C36 H36 0.9300 . ?
C36 C37 1.382(10) . ?
C37 H37 0.9300 . ?
C37 C38 1.382(8) . ?
C38 H38 0.9300 . ?
C39 C40 1.136(9) . ?
C40 C49 1.468(9) . ?
C41 C42 1.187(9) . ?
C42 C43 1.451(9) . ?
C43 C44 1.385(11) . ?
C43 C48 1.408(11) . ?
C44 H44 0.9300 . ?
C44 C45 1.419(11) . ?
C45 H45 0.9300 . ?
C45 C46 1.379(13) . ?
C46 H46 0.9300 . ?
C46 C47 1.362(13) . ?
C47 H47 0.9300 . ?
C47 C48 1.380(10) . ?
C48 H48 0.9300 . ?
C49 C50 1.363(10) . ?
C49 C54 1.383(10) . ?
C50 H50 0.9300 . ?
C50 C51 1.409(10) . ?
C51 H51 0.9300 . ?
C51 C52 1.300(10) . ?
C52 H52 0.9300 . ?
C52 C53 1.387(11) . ?
C53 H53 0.9300 . ?
C53 C54 1.386(11) . ?
C54 H54 0.9300 . ?
Cl3 C56 1.728(11) . ?
Cl4A C56 1.691(12) . ?
Cl4B C56 1.694(12) . ?
C56 H56A 0.9700 . ?
C56 H56B 0.9700 . ?
C56 H56C 0.9700 . ?
C56 H56D 0.9700 . ?
Cl1 C55 1.640(19) . ?
Cl2 C55 1.766(18) . ?
C55 H55A 0.9700 . ?
C55 H55B 0.9700 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Au1 Au2 112.87(4) . . ?
C41 Au1 Au2 77.86(19) . . ?
C41 Au1 P1 169.2(2) . . ?
P2 Au2 Au1 101.91(4) . . ?
C39 Au2 Au1 87.92(18) . . ?
C39 Au2 P2 170.14(19) . . ?
C1 P1 Au1 115.33(18) . . ?
C15 P1 Au1 109.45(18) . . ?
C15 P1 C1 105.1(3) . . ?
C21 P1 Au1 117.6(2) . . ?
C21 P1 C1 105.7(2) . . ?
C21 P1 C15 102.3(3) . . ?
C8 P2 Au2 116.33(19) 3_666 . ?
C8 P2 C27 104.8(3) 3_666 . ?
C27 P2 Au2 110.92(19) . . ?
C33 P2 Au2 115.6(2) . . ?
C33 P2 C8 107.3(3) . 3_666 ?
C33 P2 C27 100.3(3) . . ?
C2 C1 P1 118.8(4) . . ?
C14 C1 P1 122.0(4) . . ?
C14 C1 C2 119.1(5) . . ?
C1 C2 C7 119.1(5) . . ?
C3 C2 C1 122.4(5) . . ?
C3 C2 C7 118.5(5) . . ?
C2 C3 H3 119.2 . . ?
C4 C3 C2 121.5(5) . . ?
C4 C3 H3 119.2 . . ?
C3 C4 H4 120.1 . . ?
C3 C4 C5 119.8(5) . . ?
C5 C4 H4 120.1 . . ?
C4 C5 H5 119.7 . . ?
C6 C5 C4 120.7(5) . . ?
C6 C5 H5 119.7 . . ?
C5 C6 H6 119.3 . . ?
C5 C6 C7 121.3(5) . . ?
C7 C6 H6 119.3 . . ?
C6 C7 C2 118.1(5) . . ?
C8 C7 C2 119.7(5) . . ?
C8 C7 C6 122.2(5) . . ?
C7 C8 P2 118.7(4) . 3_666 ?
C9 C8 P2 122.0(4) . 3_666 ?
C9 C8 C7 119.2(5) . . ?
C8 C9 C10 122.4(5) . . ?
C8 C9 C14 119.7(5) . . ?
C10 C9 C14 117.8(5) . . ?
C9 C10 H10 119.2 . . ?
C11 C10 C9 121.5(5) . . ?
C11 C10 H10 119.2 . . ?
C10 C11 H11 119.8 . . ?
C10 C11 C12 120.3(5) . . ?
C12 C11 H11 119.8 . . ?
C11 C12 H12 119.6 . . ?
C13 C12 C11 120.9(5) . . ?
C13 C12 H12 119.6 . . ?
C12 C13 H13 119.6 . . ?
C12 C13 C14 120.8(5) . . ?
C14 C13 H13 119.6 . . ?
C1 C14 C9 118.8(5) . . ?
C1 C14 C13 122.7(5) . . ?
C13 C14 C9 118.6(5) . . ?
C16 C15 P1 118.2(5) . . ?
C16 C15 C20 118.7(6) . . ?
C20 C15 P1 123.1(4) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 C15 120.2(6) . . ?
C17 C16 H16 119.9 . . ?
C16 C17 H17 119.5 . . ?
C18 C17 C16 120.9(6) . . ?
C18 C17 H17 119.5 . . ?
C17 C18 H18 120.4 . . ?
C17 C18 C19 119.2(6) . . ?
C19 C18 H18 120.4 . . ?
C18 C19 H19 119.8 . . ?
C20 C19 C18 120.4(6) . . ?
C20 C19 H19 119.8 . . ?
C15 C20 H20 119.7 . . ?
C19 C20 C15 120.6(6) . . ?
C19 C20 H20 119.7 . . ?
C22 C21 P1 120.6(5) . . ?
C26 C21 P1 120.0(5) . . ?
C26 C21 C22 119.4(6) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 C21 120.7(6) . . ?
C23 C22 H22 119.6 . . ?
C22 C23 H23 120.2 . . ?
C24 C23 C22 119.6(7) . . ?
C24 C23 H23 120.2 . . ?
C23 C24 H24 119.9 . . ?
C25 C24 C23 120.1(7) . . ?
C25 C24 H24 119.9 . . ?
C24 C25 H25 119.4 . . ?
C24 C25 C26 121.2(7) . . ?
C26 C25 H25 119.4 . . ?
C21 C26 C25 118.9(6) . . ?
C21 C26 H26 120.6 . . ?
C25 C26 H26 120.6 . . ?
C28 C27 P2 119.4(5) . . ?
C28 C27 C32 118.5(6) . . ?
C32 C27 P2 122.0(4) . . ?
C27 C28 H28 119.8 . . ?
C29 C28 C27 120.4(6) . . ?
C29 C28 H28 119.8 . . ?
C28 C29 H29 120.1 . . ?
C28 C29 C30 119.8(6) . . ?
C30 C29 H29 120.1 . . ?
C29 C30 H30 120.1 . . ?
C31 C30 C29 119.7(6) . . ?
C31 C30 H30 120.1 . . ?
C30 C31 H31 119.6 . . ?
C30 C31 C32 120.9(6) . . ?
C32 C31 H31 119.6 . . ?
C27 C32 H32 119.7 . . ?
C31 C32 C27 120.7(6) . . ?
C31 C32 H32 119.7 . . ?
C34 C33 P2 122.4(4) . . ?
C38 C33 P2 118.3(5) . . ?
C38 C33 C34 119.1(5) . . ?
C33 C34 H34 120.1 . . ?
C35 C34 C33 119.8(5) . . ?
C35 C34 H34 120.1 . . ?
C34 C35 H35 119.9 . . ?
C36 C35 C34 120.2(6) . . ?
C36 C35 H35 119.9 . . ?
C35 C36 H36 119.8 . . ?
C35 C36 C37 120.4(6) . . ?
C37 C36 H36 119.8 . . ?
C36 C37 H37 119.8 . . ?
C38 C37 C36 120.3(6) . . ?
C38 C37 H37 119.8 . . ?
C33 C38 H38 119.9 . . ?
C37 C38 C33 120.1(6) . . ?
C37 C38 H38 119.9 . . ?
C40 C39 Au2 169.9(6) . . ?
C39 C40 C49 176.2(7) . . ?
C42 C41 Au1 172.5(7) . . ?
C41 C42 C43 178.5(8) . . ?
C44 C43 C42 120.5(7) . . ?
C44 C43 C48 118.5(7) . . ?
C48 C43 C42 120.9(7) . . ?
C43 C44 H44 120.3 . . ?
C43 C44 C45 119.4(9) . . ?
C45 C44 H44 120.3 . . ?
C44 C45 H45 120.1 . . ?
C46 C45 C44 119.8(9) . . ?
C46 C45 H45 120.1 . . ?
C45 C46 H46 119.4 . . ?
C47 C46 C45 121.3(8) . . ?
C47 C46 H46 119.4 . . ?
C46 C47 H47 120.3 . . ?
C46 C47 C48 119.3(9) . . ?
C48 C47 H47 120.3 . . ?
C43 C48 H48 119.2 . . ?
C47 C48 C43 121.7(9) . . ?
C47 C48 H48 119.2 . . ?
C50 C49 C40 122.1(6) . . ?
C50 C49 C54 118.2(6) . . ?
C54 C49 C40 119.7(6) . . ?
C49 C50 H50 120.3 . . ?
C49 C50 C51 119.3(7) . . ?
C51 C50 H50 120.3 . . ?
C50 C51 H51 118.8 . . ?
C52 C51 C50 122.5(7) . . ?
C52 C51 H51 118.8 . . ?
C51 C52 H52 120.1 . . ?
C51 C52 C53 119.7(7) . . ?
C53 C52 H52 120.1 . . ?
C52 C53 H53 120.5 . . ?
C54 C53 C52 119.1(8) . . ?
C54 C53 H53 120.5 . . ?
C49 C54 C53 121.2(8) . . ?
C49 C54 H54 119.4 . . ?
C53 C54 H54 119.4 . . ?
Cl3 C56 H56A 112.0 . . ?
Cl3 C56 H56B 112.0 . . ?
Cl3 C56 H56C 104.7 . . ?
Cl3 C56 H56D 104.7 . . ?
Cl4A C56 Cl3 98.8(7) . . ?
Cl4A C56 H56A 112.0 . . ?
Cl4A C56 H56B 112.0 . . ?
Cl4B C56 Cl3 130.4(9) . . ?
Cl4B C56 H56C 104.7 . . ?
Cl4B C56 H56D 104.7 . . ?
H56A C56 H56B 109.7 . . ?
H56C C56 H56D 105.7 . . ?
Cl1 C55 Cl2 116.9(10) . . ?
Cl1 C55 H55A 108.1 . . ?
Cl1 C55 H55B 108.1 . . ?
Cl2 C55 H55A 108.1 . . ?
Cl2 C55 H55B 108.1 . . ?
H55A C55 H55B 107.3 . . ?

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 P1 C1 C2 -79.4(5) . . . . ?
Au1 P1 C1 C14 103.7(4) . . . . ?
Au1 P1 C15 C16 -25.9(5) . . . . ?
Au1 P1 C15 C20 157.0(4) . . . . ?
Au1 P1 C21 C22 -179.3(5) . . . . ?
Au1 P1 C21 C26 0.3(6) . . . . ?
Au2 P2 C27 C28 -15.5(5) . . . . ?
Au2 P2 C27 C32 167.9(4) . . . . ?
Au2 P2 C33 C34 -167.3(4) . . . . ?
Au2 P2 C33 C38 18.0(6) . . . . ?
P1 C1 C2 C3 18.3(7) . . . . ?
P1 C1 C2 C7 -161.3(4) . . . . ?
P1 C1 C14 C9 160.1(4) . . . . ?
P1 C1 C14 C13 -20.6(8) . . . . ?
P1 C15 C16 C17 -177.2(4) . . . . ?
P1 C15 C20 C19 176.2(5) . . . . ?
P1 C21 C22 C23 177.6(6) . . . . ?
P1 C21 C26 C25 -177.9(5) . . . . ?
P2 C8 C9 C10 18.3(8) 3_666 . . . ?
P2 C8 C9 C14 -161.2(4) 3_666 . . . ?
P2 C27 C28 C29 -177.6(4) . . . . ?
P2 C27 C32 C31 176.4(4) . . . . ?
P2 C33 C34 C35 -175.7(5) . . . . ?
P2 C33 C38 C37 175.7(5) . . . . ?
C1 P1 C15 C16 -150.3(4) . . . . ?
C1 P1 C15 C20 32.6(5) . . . . ?
C1 P1 C21 C22 -48.9(6) . . . . ?
C1 P1 C21 C26 130.7(5) . . . . ?
C1 C2 C3 C4 178.7(5) . . . . ?
C1 C2 C7 C6 -177.3(5) . . . . ?
C1 C2 C7 C8 1.8(8) . . . . ?
C2 C1 C14 C9 -16.8(8) . . . . ?
C2 C1 C14 C13 162.5(5) . . . . ?
C2 C3 C4 C5 -0.9(9) . . . . ?
C2 C7 C8 P2 160.1(4) . . . 3_666 ?
C2 C7 C8 C9 -18.3(8) . . . . ?
C3 C2 C7 C6 3.1(8) . . . . ?
C3 C2 C7 C8 -177.8(5) . . . . ?
C3 C4 C5 C6 2.2(9) . . . . ?
C4 C5 C6 C7 -0.7(9) . . . . ?
C5 C6 C7 C2 -2.0(8) . . . . ?
C5 C6 C7 C8 178.9(6) . . . . ?
C6 C7 C8 P2 -20.8(7) . . . 3_666 ?
C6 C7 C8 C9 160.8(5) . . . . ?
C7 C2 C3 C4 -1.7(8) . . . . ?
C7 C8 C9 C10 -163.4(5) . . . . ?
C7 C8 C9 C14 17.1(8) . . . . ?
C8 P2 C27 C28 -141.8(4) 3_666 . . . ?
C8 P2 C27 C32 41.6(5) 3_666 . . . ?
C8 P2 C33 C34 -35.7(6) 3_666 . . . ?
C8 P2 C33 C38 149.6(5) 3_666 . . . ?
C8 C9 C10 C11 -179.1(5) . . . . ?
C8 C9 C14 C1 0.4(8) . . . . ?
C8 C9 C14 C13 -178.9(5) . . . . ?
C9 C10 C11 C12 -0.6(9) . . . . ?
C10 C9 C14 C1 -179.1(5) . . . . ?
C10 C9 C14 C13 1.6(8) . . . . ?
C10 C11 C12 C13 -1.2(9) . . . . ?
C11 C12 C13 C14 3.2(9) . . . . ?
C12 C13 C14 C1 177.3(5) . . . . ?
C12 C13 C14 C9 -3.4(8) . . . . ?
C14 C1 C2 C3 -164.7(5) . . . . ?
C14 C1 C2 C7 15.7(8) . . . . ?
C14 C9 C10 C11 0.4(8) . . . . ?
C15 P1 C1 C2 41.2(5) . . . . ?
C15 P1 C1 C14 -135.7(5) . . . . ?
C15 P1 C21 C22 60.8(6) . . . . ?
C15 P1 C21 C26 -119.6(5) . . . . ?
C15 C16 C17 C18 0.0(9) . . . . ?
C16 C15 C20 C19 -0.8(9) . . . . ?
C16 C17 C18 C19 0.8(10) . . . . ?
C17 C18 C19 C20 -1.6(10) . . . . ?
C18 C19 C20 C15 1.7(10) . . . . ?
C20 C15 C16 C17 0.0(8) . . . . ?
C21 P1 C1 C2 149.0(4) . . . . ?
C21 P1 C1 C14 -28.0(5) . . . . ?
C21 P1 C15 C16 99.5(5) . . . . ?
C21 P1 C15 C20 -77.6(5) . . . . ?
C21 C22 C23 C24 0.5(12) . . . . ?
C22 C21 C26 C25 1.7(10) . . . . ?
C22 C23 C24 C25 1.1(12) . . . . ?
C23 C24 C25 C26 -1.4(12) . . . . ?
C24 C25 C26 C21 -0.1(11) . . . . ?
C26 C21 C22 C23 -1.9(10) . . . . ?
C27 P2 C33 C34 73.4(5) . . . . ?
C27 P2 C33 C38 -101.3(5) . . . . ?
C27 C28 C29 C30 1.1(9) . . . . ?
C28 C27 C32 C31 -0.3(8) . . . . ?
C28 C29 C30 C31 -0.3(9) . . . . ?
C29 C30 C31 C32 -0.8(9) . . . . ?
C30 C31 C32 C27 1.1(8) . . . . ?
C32 C27 C28 C29 -0.8(8) . . . . ?
C33 P2 C27 C28 107.1(5) . . . . ?
C33 P2 C27 C32 -69.5(5) . . . . ?
C33 C34 C35 C36 1.1(10) . . . . ?
C34 C33 C38 C37 0.8(10) . . . . ?
C34 C35 C36 C37 -0.9(11) . . . . ?
C35 C36 C37 C38 0.6(11) . . . . ?
C36 C37 C38 C33 -0.6(11) . . . . ?
C38 C33 C34 C35 -1.1(9) . . . . ?
C40 C49 C50 C51 179.8(8) . . . . ?
C40 C49 C54 C53 179.6(10) . . . . ?
C42 C43 C44 C45 -178.1(8) . . . . ?
C42 C43 C48 C47 177.4(7) . . . . ?
C43 C44 C45 C46 1.6(14) . . . . ?
C44 C43 C48 C47 0.4(12) . . . . ?
C44 C45 C46 C47 -1.4(15) . . . . ?
C45 C46 C47 C48 0.7(14) . . . . ?
C46 C47 C48 C43 -0.2(13) . . . . ?
C48 C43 C44 C45 -1.1(12) . . . . ?
C49 C50 C51 C52 -0.4(15) . . . . ?
C50 C49 C54 C53 -1.9(16) . . . . ?
C50 C51 C52 C53 0.1(16) . . . . ?
C51 C52 C53 C54 -0.7(17) . . . . ?
C52 C53 C54 C49 1.6(18) . . . . ?
C54 C49 C50 C51 1.2(13) . . . . ?


# start Validation Reply Form
_vrf_PLAT780_Complex_1           
;
PROBLEM: Coordinates do not Form a Properly Connected Set     Please Do ! 
RESPONSE: It remains unclear which coordinates precisely are the question.
Even if to have a look at the checkcif's image - all in the complex
shown as combined.
;
# end Validation Reply Form
