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

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

data_compound2
_database_code_depnum_ccdc_archive 'CCDC 1878771'
loop_
_audit_author_name
_audit_author_address
'Hans-Georg Stammler'
;University of Bielefeld, Department of Chemistry, Inorganic and Structural Chemistry, Germany
Germany
;
_audit_update_record             
;
2018-11-13 deposited with the CCDC.	2019-02-19 downloaded from the CCDC.
;


_audit_creation_date             2016-04-25
_audit_creation_method           
;
  Olex2 1.2-ac2
  (compiled 2012.03.27 svn.r2268, GUI svn.r4156)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C60 H50 Au2 P2'
_chemical_formula_sum            'C60 H50 Au2 P2'
_chemical_formula_weight         1226.87
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C60 H50 Au2 P2'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 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'
P P 0.2955 0.4335 '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'

_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                   15.6517(2)
_cell_length_b                   12.1844(2)
_cell_length_c                   26.4203(5)
_cell_angle_alpha                90
_cell_angle_beta                 97.7936(14)
_cell_angle_gamma                90
_cell_volume                     4991.99(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    45914
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      72.7290
_cell_measurement_theta_min      2.8540
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    11.778
_exptl_absorpt_correction_T_max  0.873
_exptl_absorpt_correction_T_min  0.310
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.632
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2392
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 0 -1 0.0115
-1 -1 0 0.1021
1 1 0 0.1021
1 0 0 0.1403
1 -1 0 0.1043
0 0 1 0.0115
-1 1 0 0.1043
0 1 0 0.0779
0 -1 0 0.0779
-1 0 0 0.1403

_exptl_crystal_size_max          0.286
_exptl_crystal_size_mid          0.156
_exptl_crystal_size_min          0.023
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0.0044 0.0012 -1.0028 -0.0590 -0.0010 0.0017
-1.0022 -0.9996 -0.0270 -0.0114 0.0806 0.1389
1.0022 0.9996 0.0270 0.0114 -0.0806 -0.1389
1.0010 0.0002 0.0127 0.0147 -0.0975 -0.0137
0.9998 -0.9992 -0.0017 0.0180 -0.1143 0.1115
-0.0044 -0.0012 1.0028 0.0590 0.0010 -0.0017
-0.9998 0.9992 0.0017 -0.0180 0.1143 -0.1115
0.0012 0.9994 0.0143 -0.0033 0.0169 -0.1252
-0.0012 -0.9994 -0.0143 0.0033 -0.0169 0.1252
-1.0010 -0.0002 -0.0127 -0.0147 0.0975 0.0137

_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0569
_diffrn_reflns_av_unetI/netI     0.0215
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            84443
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.344
_diffrn_reflns_theta_min         2.850
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3114
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.9886
_diffrn_measured_fraction_theta_max 0.9796
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -63.00  32.00   1.00    5.00    --  -40.83  38.00-120.00   95
  2  ω    -67.00  29.00   1.00    5.00    --  -40.83  57.00  90.00   96
  3  ω   -111.00 -14.00   1.00    5.00    --  -40.83 -57.00 -60.00   97
  4  ω      4.00 119.00   1.00    5.00    --   40.83  19.00 -30.00  115
  5  ω     57.00 128.00   1.00    5.00    --   40.83 178.00  30.00   71
  6  ω     57.00 128.00   1.00    5.00    --   40.83 178.00-120.00   71
  7  ω     30.00 109.00   1.00   27.50    --  111.00 -94.00 -90.00   79
  8  ω     41.00 139.00   1.00   27.50    --  111.00 -61.00  60.00   98
  9  ω     87.00 178.00   1.00   27.50    --  111.00  30.00  30.00   91
 10  ω     36.00 135.00   1.00   27.50    --  111.00 -30.00 120.00   99
 11  ω     39.00 121.00   1.00   27.50    --  111.00-125.00-150.00   82
 12  ω     36.00 135.00   1.00   27.50    --  111.00 -30.00-150.00   99
 13  ω     41.00 139.00   1.00   27.50    --  111.00 -61.00 -60.00   98
 14  ω     39.00 121.00   1.00   27.50    --  111.00-125.00  90.00   82
 15  ω     31.00 156.00   1.00   27.50    --  111.00 -15.00   0.00  125
 16  ω     30.00 109.00   1.00   27.50    --  111.00 -94.00  60.00   79
 17  ω     30.00 109.00   1.00   27.50    --  111.00 -94.00-150.00   79
 18  ω   -115.00  -9.00   1.00    5.00    --  -40.83 -77.00  90.00  106
 19  ω    -67.00  29.00   1.00    5.00    --  -40.83  57.00   0.00   96
 20  ω   -111.00 -14.00   1.00    5.00    --  -40.83 -57.00 120.00   97
 21  ω   -111.00 -14.00   1.00    5.00    --  -40.83 -57.00-150.00   97
 22  ω   -111.00 -14.00   1.00    5.00    --  -40.83 -57.00  30.00   97
 23  ω     66.00 178.00   1.00   27.50    --  111.00  15.00 120.00  112
 24  ω     83.00 178.00   1.00   27.50    --  111.00  61.00 -90.00   95
 25  ω     87.00 178.00   1.00   27.50    --  111.00  30.00-180.00   91
 26  ω     83.00 178.00   1.00   27.50    --  111.00  61.00 120.00   95
 27  ω     83.00 178.00   1.00   27.50    --  111.00  61.00 -30.00   95
 28  ω     83.00 178.00   1.00   27.50    --  111.00  61.00 -60.00   95
 29  ω     83.00 178.00   1.00   27.50    --  111.00  61.00-180.00   95
 30  ω     83.00 178.00   1.00   27.50    --  111.00  61.00  30.00   95
 31  ω     83.00 178.00   1.00   27.50    --  111.00  61.00-120.00   95
 32  ω     66.00 178.00   1.00   27.50    --  111.00  15.00 -90.00  112
 33  ω   -115.00  -9.00   1.00    5.00    --  -40.83 -77.00 -30.00  106
 34  ω   -115.00  -9.00   1.00    5.00    --  -40.83 -77.00-180.00  106
 35  ω   -115.00  -9.00   1.00    5.00    --  -40.83 -77.00-120.00  106
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0139661000
_diffrn_orient_matrix_UB_12      -0.0041804000
_diffrn_orient_matrix_UB_13      0.0588521000
_diffrn_orient_matrix_UB_21      -0.0973687000
_diffrn_orient_matrix_UB_22      0.0169783000
_diffrn_orient_matrix_UB_23      0.0005629000
_diffrn_orient_matrix_UB_31      -0.0136189000
_diffrn_orient_matrix_UB_32      -0.1252023000
_diffrn_orient_matrix_UB_33      -0.0019186000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9463
_reflns_number_total             9736
_reflns_odcompleteness_completeness 98.86
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
SHELXL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.740
_refine_diff_density_min         -1.315
_refine_diff_density_rms         0.143
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.961
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     582
_refine_ls_number_reflns         9736
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0374
_refine_ls_R_factor_gt           0.0365
_refine_ls_restrained_S_all      0.961
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0291P)²+53.1471P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0885
_refine_ls_wR_factor_ref         0.0889
_refine_special_details          
;
 ?
;
_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 0.79235(2) 0.52485(2) 0.35020(2) 0.02483(7) Uani 1 1 d . . . . .
Au2 Au 0.73274(2) 0.17911(2) 0.19613(2) 0.02669(7) Uani 1 1 d . . . . .
P1 P 0.70555(9) 0.46827(11) 0.40718(5) 0.0266(3) Uani 1 1 d . . . . .
P2 P 0.68305(8) 0.01972(11) 0.22601(6) 0.0273(3) Uani 1 1 d . . . . .
C1 C 0.9692(3) 0.6753(4) 0.24197(19) 0.0212(10) Uani 1 1 d . . . . .
C2 C 0.9586(3) 0.6464(4) 0.18846(19) 0.0205(10) Uani 1 1 d . . . . .
C3 C 0.9061(3) 0.5594(4) 0.16879(19) 0.0204(9) Uani 1 1 d . . . . .
H3 H 0.8777 0.5178 0.1909 0.024 Uiso 1 1 calc R U . . .
C4 C 0.8950(3) 0.5335(4) 0.11713(19) 0.0218(10) Uani 1 1 d . . . . .
C5 C 0.8427(3) 0.4415(4) 0.0965(2) 0.0245(10) Uani 1 1 d . . . . .
C6 C 0.8310(4) 0.4237(5) 0.0449(2) 0.0320(12) Uani 1 1 d . . . . .
H6 H 0.7959 0.3660 0.0318 0.038 Uiso 1 1 calc R U . . .
C7 C 0.8705(4) 0.4904(5) 0.0111(2) 0.0352(13) Uani 1 1 d . . . . .
H7 H 0.8604 0.4771 -0.0239 0.042 Uiso 1 1 calc R U . . .
C8 C 0.9233(4) 0.5741(5) 0.0295(2) 0.0329(12) Uani 1 1 d . . . . .
H8 H 0.9504 0.6162 0.0070 0.039 Uiso 1 1 calc R U . . .
C9 C 0.9376(3) 0.5980(5) 0.0826(2) 0.0264(11) Uani 1 1 d . . . . .
C10 C 0.9922(3) 0.6828(4) 0.1026(2) 0.0259(11) Uani 1 1 d . . . . .
H10 H 1.0207 0.7243 0.0806 0.031 Uiso 1 1 calc R U . . .
C11 C 1.0052(3) 0.7072(4) 0.1546(2) 0.0233(10) Uani 1 1 d . . . . .
C12 C 1.0622(3) 0.7927(4) 0.1751(2) 0.0277(11) Uani 1 1 d . . . . .
H12 H 1.0915 0.8342 0.1534 0.033 Uiso 1 1 calc R U . . .
C13 C 1.0740(3) 0.8138(4) 0.2259(2) 0.0294(12) Uani 1 1 d . . . . .
H13 H 1.1136 0.8670 0.2390 0.035 Uiso 1 1 calc R U . . .
C14 C 1.0267(3) 0.7560(4) 0.2595(2) 0.0266(11) Uani 1 1 d . . . . .
H14 H 1.0349 0.7732 0.2942 0.032 Uiso 1 1 calc R U . . .
C15 C 0.9170(3) 0.6239(4) 0.27533(19) 0.0221(10) Uani 1 1 d . . . . .
C16 C 0.8710(3) 0.5835(4) 0.3030(2) 0.0264(11) Uani 1 1 d . . . . .
C17 C 0.7627(3) 0.4720(4) 0.4719(2) 0.0274(11) Uani 1 1 d . . . . .
C18 C 0.8148(5) 0.5616(6) 0.4867(3) 0.054(2) Uani 1 1 d . . . . .
H18 H 0.8199 0.6178 0.4635 0.065 Uiso 1 1 calc R U . . .
C19 C 0.8593(5) 0.5683(7) 0.5355(3) 0.055(2) Uani 1 1 d . . . . .
H19 H 0.8941 0.6289 0.5446 0.066 Uiso 1 1 calc R U . . .
C20 C 0.8529(4) 0.4860(5) 0.5715(2) 0.0358(13) Uani 1 1 d . . . . .
C21 C 0.7998(4) 0.3993(5) 0.5566(2) 0.0367(13) Uani 1 1 d . . . . .
H21 H 0.7941 0.3435 0.5800 0.044 Uiso 1 1 calc R U . . .
C22 C 0.7543(4) 0.3918(5) 0.5081(2) 0.0340(13) Uani 1 1 d . . . . .
H22 H 0.7178 0.3325 0.4997 0.041 Uiso 1 1 calc R U . . .
C23 C 0.9015(4) 0.4943(6) 0.6244(3) 0.0472(16) Uani 1 1 d . . . . .
H23A H 0.9609 0.4754 0.6236 0.071 Uiso 1 1 calc R U . . .
H23B H 0.8769 0.4447 0.6467 0.071 Uiso 1 1 calc R U . . .
H23C H 0.8979 0.5680 0.6368 0.071 Uiso 1 1 calc R U . . .
C24 C 0.6136(3) 0.5586(5) 0.4092(2) 0.0283(11) Uani 1 1 d . . . . .
C25 C 0.5733(4) 0.5671(5) 0.4532(2) 0.0351(13) Uani 1 1 d . . . . .
H25 H 0.5902 0.5213 0.4809 0.042 Uiso 1 1 calc R U . . .
C26 C 0.5089(4) 0.6428(5) 0.4558(2) 0.0336(12) Uani 1 1 d . . . . .
H26 H 0.4829 0.6468 0.4854 0.040 Uiso 1 1 calc R U . . .
C27 C 0.4815(3) 0.7132(5) 0.4156(2) 0.0314(12) Uani 1 1 d . . . . .
C28 C 0.5193(4) 0.7022(5) 0.3713(2) 0.0320(12) Uani 1 1 d . . . . .
H28 H 0.5003 0.7463 0.3433 0.038 Uiso 1 1 calc R U . . .
C29 C 0.5850(4) 0.6267(5) 0.3678(2) 0.0300(12) Uani 1 1 d . . . . .
H29 H 0.6098 0.6215 0.3379 0.036 Uiso 1 1 calc R U . . .
C30 C 0.4128(4) 0.7968(5) 0.4206(3) 0.0393(14) Uani 1 1 d . . . . .
H30A H 0.3584 0.7605 0.4207 0.059 Uiso 1 1 calc R U . . .
H30B H 0.4089 0.8470 0.3924 0.059 Uiso 1 1 calc R U . . .
H30C H 0.4270 0.8366 0.4520 0.059 Uiso 1 1 calc R U . . .
C31 C 0.6649(4) 0.3290(5) 0.4004(2) 0.0314(12) Uani 1 1 d . . . . .
C32 C 0.5820(4) 0.3009(5) 0.4076(2) 0.0362(13) Uani 1 1 d . . . . .
H32 H 0.5422 0.3555 0.4121 0.043 Uiso 1 1 calc R U . . .
C33 C 0.5579(4) 0.1918(6) 0.4081(3) 0.0441(16) Uani 1 1 d . . . . .
H33 H 0.5018 0.1744 0.4130 0.053 Uiso 1 1 calc R U . . .
C34 C 0.6145(5) 0.1081(5) 0.4015(3) 0.0437(15) Uani 1 1 d . . . . .
C35 C 0.6973(4) 0.1363(5) 0.3924(2) 0.0389(14) Uani 1 1 d . . . . .
H35 H 0.7363 0.0814 0.3869 0.047 Uiso 1 1 calc R U . . .
C36 C 0.7224(4) 0.2453(5) 0.3916(2) 0.0325(12) Uani 1 1 d . . . . .
H36 H 0.7777 0.2629 0.3851 0.039 Uiso 1 1 calc R U . . .
C37 C 0.5869(6) -0.0101(6) 0.4028(4) 0.065(2) Uani 1 1 d . . . . .
H37A H 0.5464 -0.0184 0.4268 0.098 Uiso 1 1 calc R U . . .
H37B H 0.6364 -0.0554 0.4131 0.098 Uiso 1 1 calc R U . . .
H37C H 0.5603 -0.0319 0.3695 0.098 Uiso 1 1 calc R U . . .
C38 C 0.8063(3) 0.3686(4) 0.1307(2) 0.0234(10) Uani 1 1 d . . . . .
C39 C 0.7789(3) 0.3050(4) 0.1591(2) 0.0282(11) Uani 1 1 d . . . . .
C40 C 0.7476(3) -0.0387(4) 0.2810(2) 0.0263(11) Uani 1 1 d . . . . .
C41 C 0.8327(4) -0.0050(5) 0.2936(2) 0.0332(12) Uani 1 1 d . . . . .
H41 H 0.8542 0.0520 0.2755 0.040 Uiso 1 1 calc R U . . .
C42 C 0.8858(4) -0.0562(5) 0.3330(2) 0.0337(12) Uani 1 1 d . . . . .
H42 H 0.9426 -0.0329 0.3410 0.040 Uiso 1 1 calc R U . . .
C43 C 0.8561(4) -0.1409(4) 0.3606(2) 0.0274(11) Uani 1 1 d . . . . .
C44 C 0.7706(4) -0.1724(5) 0.3491(2) 0.0299(12) Uani 1 1 d . . . . .
H44 H 0.7490 -0.2275 0.3681 0.036 Uiso 1 1 calc R U . . .
C45 C 0.7166(4) -0.1230(4) 0.3096(2) 0.0311(12) Uani 1 1 d . . . . .
H45 H 0.6596 -0.1459 0.3021 0.037 Uiso 1 1 calc R U . . .
C46 C 0.9156(4) -0.2003(5) 0.4009(2) 0.0354(13) Uani 1 1 d . . . . .
H46A H 0.9333 -0.2683 0.3872 0.053 Uiso 1 1 calc R U . . .
H46B H 0.8862 -0.2148 0.4298 0.053 Uiso 1 1 calc R U . . .
H46C H 0.9655 -0.1556 0.4113 0.053 Uiso 1 1 calc R U . . .
C47 C 0.5730(3) 0.0213(5) 0.2408(2) 0.0299(12) Uani 1 1 d . . . . .
C48 C 0.5457(4) 0.1094(5) 0.2673(2) 0.0343(13) Uani 1 1 d . . . . .
H48 H 0.5824 0.1686 0.2755 0.041 Uiso 1 1 calc R U . . .
C49 C 0.4640(4) 0.1101(5) 0.2817(3) 0.0385(14) Uani 1 1 d . . . . .
H49 H 0.4468 0.1699 0.2997 0.046 Uiso 1 1 calc R U . . .
C50 C 0.4067(4) 0.0234(5) 0.2699(2) 0.0340(13) Uani 1 1 d . . . . .
C51 C 0.4345(4) -0.0633(5) 0.2431(3) 0.0399(15) Uani 1 1 d . . . . .
H51 H 0.3974 -0.1220 0.2346 0.048 Uiso 1 1 calc R U . . .
C52 C 0.5159(4) -0.0658(5) 0.2285(3) 0.0395(14) Uani 1 1 d . . . . .
H52 H 0.5327 -0.1256 0.2103 0.047 Uiso 1 1 calc R U . . .
C53 C 0.3183(4) 0.0261(6) 0.2862(3) 0.0444(16) Uani 1 1 d . . . . .
H53A H 0.3234 0.0307 0.3227 0.067 Uiso 1 1 calc R U . . .
H53B H 0.2876 -0.0396 0.2748 0.067 Uiso 1 1 calc R U . . .
H53C H 0.2873 0.0888 0.2713 0.067 Uiso 1 1 calc R U . . .
C54 C 0.6850(3) -0.0818(4) 0.1756(2) 0.0275(11) Uani 1 1 d . . . . .
C55 C 0.6372(4) -0.0611(5) 0.1285(3) 0.0407(14) Uani 1 1 d . . . . .
H55 H 0.6028 0.0014 0.1240 0.049 Uiso 1 1 calc R U . . .
C56 C 0.6401(4) -0.1321(5) 0.0883(2) 0.0392(14) Uani 1 1 d . . . . .
H56 H 0.6061 -0.1180 0.0573 0.047 Uiso 1 1 calc R U . . .
C57 C 0.6925(4) -0.2243(5) 0.0929(2) 0.0371(13) Uani 1 1 d . . . . .
C58 C 0.7402(4) -0.2440(6) 0.1398(3) 0.0485(17) Uani 1 1 d . . . . .
H58 H 0.7757 -0.3055 0.1439 0.058 Uiso 1 1 calc R U . . .
C59 C 0.7367(4) -0.1740(5) 0.1811(3) 0.0424(15) Uani 1 1 d . . . . .
H59 H 0.7691 -0.1894 0.2125 0.051 Uiso 1 1 calc R U . . .
C60 C 0.6959(5) -0.3014(6) 0.0483(3) 0.0522(18) Uani 1 1 d . . . . .
H60A H 0.6586 -0.2745 0.0191 0.078 Uiso 1 1 calc R U . . .
H60B H 0.7539 -0.3054 0.0405 0.078 Uiso 1 1 calc R U . . .
H60C H 0.6772 -0.3732 0.0571 0.078 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 P1 2.2676(13) . ?
Au1 C16 1.999(5) . ?
Au2 P2 2.2728(14) . ?
Au2 C39 2.006(6) . ?
P1 C17 1.819(6) . ?
P1 C24 1.818(6) . ?
P1 C31 1.813(6) . ?
P2 C40 1.801(6) . ?
P2 C47 1.817(6) . ?
P2 C54 1.822(6) . ?
C1 C2 1.445(7) . ?
C1 C14 1.371(7) . ?
C1 C15 1.425(7) . ?
C2 C3 1.398(7) . ?
C2 C11 1.435(7) . ?
C3 H3 0.9300 . ?
C3 C4 1.389(7) . ?
C4 C5 1.449(7) . ?
C4 C9 1.437(7) . ?
C5 C6 1.368(8) . ?
C5 C38 1.438(7) . ?
C6 H6 0.9300 . ?
C6 C7 1.412(8) . ?
C7 H7 0.9300 . ?
C7 C8 1.360(9) . ?
C8 H8 0.9300 . ?
C8 C9 1.419(8) . ?
C9 C10 1.398(8) . ?
C10 H10 0.9300 . ?
C10 C11 1.392(7) . ?
C11 C12 1.431(7) . ?
C12 H12 0.9300 . ?
C12 C13 1.354(8) . ?
C13 H13 0.9300 . ?
C13 C14 1.417(7) . ?
C14 H14 0.9300 . ?
C15 C16 1.199(7) . ?
C17 C18 1.386(9) . ?
C17 C22 1.386(7) . ?
C18 H18 0.9300 . ?
C18 C19 1.383(10) . ?
C19 H19 0.9300 . ?
C19 C20 1.395(9) . ?
C20 C21 1.368(8) . ?
C20 C23 1.502(9) . ?
C21 H21 0.9300 . ?
C21 C22 1.383(8) . ?
C22 H22 0.9300 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 C25 1.400(8) . ?
C24 C29 1.397(8) . ?
C25 H25 0.9300 . ?
C25 C26 1.375(8) . ?
C26 H26 0.9300 . ?
C26 C27 1.387(8) . ?
C27 C28 1.389(8) . ?
C27 C30 1.500(8) . ?
C28 H28 0.9300 . ?
C28 C29 1.391(8) . ?
C29 H29 0.9300 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 C32 1.380(8) . ?
C31 C36 1.400(8) . ?
C32 H32 0.9300 . ?
C32 C33 1.382(9) . ?
C33 H33 0.9300 . ?
C33 C34 1.377(10) . ?
C34 C35 1.393(9) . ?
C34 C37 1.505(9) . ?
C35 H35 0.9300 . ?
C35 C36 1.385(8) . ?
C36 H36 0.9300 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C38 C39 1.198(8) . ?
C40 C41 1.392(8) . ?
C40 C45 1.399(7) . ?
C41 H41 0.9300 . ?
C41 C42 1.389(8) . ?
C42 H42 0.9300 . ?
C42 C43 1.380(8) . ?
C43 C44 1.386(8) . ?
C43 C46 1.501(8) . ?
C44 H44 0.9300 . ?
C44 C45 1.387(8) . ?
C45 H45 0.9300 . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C47 C48 1.380(8) . ?
C47 C52 1.397(8) . ?
C48 H48 0.9300 . ?
C48 C49 1.383(8) . ?
C49 H49 0.9300 . ?
C49 C50 1.393(8) . ?
C50 C51 1.374(9) . ?
C50 C53 1.505(8) . ?
C51 H51 0.9300 . ?
C51 C52 1.380(8) . ?
C52 H52 0.9300 . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C54 C55 1.386(8) . ?
C54 C59 1.380(8) . ?
C55 H55 0.9300 . ?
C55 C56 1.374(9) . ?
C56 H56 0.9300 . ?
C56 C57 1.387(9) . ?
C57 C58 1.378(9) . ?
C57 C60 1.514(9) . ?
C58 H58 0.9300 . ?
C58 C59 1.392(9) . ?
C59 H59 0.9300 . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?

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
C16 Au1 P1 176.12(15) . . ?
C39 Au2 P2 170.30(16) . . ?
C17 P1 Au1 110.71(17) . . ?
C17 P1 C24 104.3(3) . . ?
C24 P1 Au1 112.55(18) . . ?
C31 P1 Au1 116.95(19) . . ?
C31 P1 C17 103.7(3) . . ?
C31 P1 C24 107.5(3) . . ?
C40 P2 Au2 115.95(18) . . ?
C40 P2 C47 105.9(3) . . ?
C40 P2 C54 105.0(2) . . ?
C47 P2 Au2 116.40(18) . . ?
C47 P2 C54 106.0(3) . . ?
C54 P2 Au2 106.60(18) . . ?
C14 C1 C2 119.3(5) . . ?
C14 C1 C15 120.7(5) . . ?
C15 C1 C2 119.9(4) . . ?
C3 C2 C1 122.2(4) . . ?
C3 C2 C11 118.9(5) . . ?
C11 C2 C1 119.0(4) . . ?
C2 C3 H3 119.1 . . ?
C4 C3 C2 121.8(5) . . ?
C4 C3 H3 119.1 . . ?
C3 C4 C5 122.2(5) . . ?
C3 C4 C9 119.6(5) . . ?
C9 C4 C5 118.2(5) . . ?
C6 C5 C4 119.3(5) . . ?
C6 C5 C38 121.1(5) . . ?
C38 C5 C4 119.6(5) . . ?
C5 C6 H6 119.0 . . ?
C5 C6 C7 121.9(5) . . ?
C7 C6 H6 119.0 . . ?
C6 C7 H7 119.9 . . ?
C8 C7 C6 120.2(5) . . ?
C8 C7 H7 119.9 . . ?
C7 C8 H8 119.5 . . ?
C7 C8 C9 120.9(5) . . ?
C9 C8 H8 119.5 . . ?
C8 C9 C4 119.4(5) . . ?
C10 C9 C4 118.4(5) . . ?
C10 C9 C8 122.2(5) . . ?
C9 C10 H10 118.9 . . ?
C11 C10 C9 122.1(5) . . ?
C11 C10 H10 118.9 . . ?
C10 C11 C2 119.1(5) . . ?
C10 C11 C12 122.0(5) . . ?
C12 C11 C2 118.9(5) . . ?
C11 C12 H12 119.7 . . ?
C13 C12 C11 120.6(5) . . ?
C13 C12 H12 119.7 . . ?
C12 C13 H13 119.5 . . ?
C12 C13 C14 120.9(5) . . ?
C14 C13 H13 119.5 . . ?
C1 C14 C13 121.3(5) . . ?
C1 C14 H14 119.4 . . ?
C13 C14 H14 119.4 . . ?
C16 C15 C1 177.8(6) . . ?
C15 C16 Au1 176.6(5) . . ?
C18 C17 P1 118.7(4) . . ?
C18 C17 C22 117.8(5) . . ?
C22 C17 P1 123.4(4) . . ?
C17 C18 H18 119.6 . . ?
C19 C18 C17 120.9(6) . . ?
C19 C18 H18 119.6 . . ?
C18 C19 H19 119.4 . . ?
C18 C19 C20 121.3(6) . . ?
C20 C19 H19 119.4 . . ?
C19 C20 C23 120.8(6) . . ?
C21 C20 C19 117.2(6) . . ?
C21 C20 C23 122.1(6) . . ?
C20 C21 H21 118.9 . . ?
C20 C21 C22 122.2(6) . . ?
C22 C21 H21 118.9 . . ?
C17 C22 H22 119.7 . . ?
C21 C22 C17 120.6(5) . . ?
C21 C22 H22 119.7 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C24 P1 121.2(4) . . ?
C29 C24 P1 120.5(4) . . ?
C29 C24 C25 118.2(5) . . ?
C24 C25 H25 119.7 . . ?
C26 C25 C24 120.6(5) . . ?
C26 C25 H25 119.7 . . ?
C25 C26 H26 119.0 . . ?
C25 C26 C27 121.9(5) . . ?
C27 C26 H26 119.0 . . ?
C26 C27 C28 117.6(5) . . ?
C26 C27 C30 120.2(6) . . ?
C28 C27 C30 122.2(6) . . ?
C27 C28 H28 119.2 . . ?
C27 C28 C29 121.5(5) . . ?
C29 C28 H28 119.2 . . ?
C24 C29 H29 119.9 . . ?
C28 C29 C24 120.2(5) . . ?
C28 C29 H29 119.9 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 P1 122.9(5) . . ?
C32 C31 C36 118.6(5) . . ?
C36 C31 P1 118.3(4) . . ?
C31 C32 H32 119.9 . . ?
C33 C32 C31 120.2(6) . . ?
C33 C32 H32 119.9 . . ?
C32 C33 H33 119.0 . . ?
C34 C33 C32 122.1(6) . . ?
C34 C33 H33 119.0 . . ?
C33 C34 C35 117.9(6) . . ?
C33 C34 C37 121.0(6) . . ?
C35 C34 C37 121.1(7) . . ?
C34 C35 H35 119.6 . . ?
C36 C35 C34 120.7(6) . . ?
C36 C35 H35 119.6 . . ?
C31 C36 H36 119.8 . . ?
C35 C36 C31 120.4(5) . . ?
C35 C36 H36 119.8 . . ?
C34 C37 H37A 109.5 . . ?
C34 C37 H37B 109.5 . . ?
C34 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C39 C38 C5 177.3(6) . . ?
C38 C39 Au2 169.5(5) . . ?
C41 C40 P2 119.3(4) . . ?
C41 C40 C45 118.6(5) . . ?
C45 C40 P2 121.9(4) . . ?
C40 C41 H41 119.9 . . ?
C42 C41 C40 120.1(5) . . ?
C42 C41 H41 119.9 . . ?
C41 C42 H42 119.2 . . ?
C43 C42 C41 121.5(5) . . ?
C43 C42 H42 119.2 . . ?
C42 C43 C44 118.4(5) . . ?
C42 C43 C46 120.9(5) . . ?
C44 C43 C46 120.7(5) . . ?
C43 C44 H44 119.4 . . ?
C43 C44 C45 121.1(5) . . ?
C45 C44 H44 119.4 . . ?
C40 C45 H45 119.9 . . ?
C44 C45 C40 120.3(5) . . ?
C44 C45 H45 119.9 . . ?
C43 C46 H46A 109.5 . . ?
C43 C46 H46B 109.5 . . ?
C43 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C48 C47 P2 119.0(4) . . ?
C48 C47 C52 118.4(5) . . ?
C52 C47 P2 122.5(5) . . ?
C47 C48 H48 119.8 . . ?
C47 C48 C49 120.4(5) . . ?
C49 C48 H48 119.8 . . ?
C48 C49 H49 119.2 . . ?
C48 C49 C50 121.6(6) . . ?
C50 C49 H49 119.2 . . ?
C49 C50 C53 120.6(6) . . ?
C51 C50 C49 117.3(5) . . ?
C51 C50 C53 122.1(6) . . ?
C50 C51 H51 119.0 . . ?
C50 C51 C52 122.0(6) . . ?
C52 C51 H51 119.0 . . ?
C47 C52 H52 119.9 . . ?
C51 C52 C47 120.2(6) . . ?
C51 C52 H52 119.9 . . ?
C50 C53 H53A 109.5 . . ?
C50 C53 H53B 109.5 . . ?
C50 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C55 C54 P2 118.2(4) . . ?
C59 C54 P2 122.9(5) . . ?
C59 C54 C55 118.8(6) . . ?
C54 C55 H55 119.7 . . ?
C56 C55 C54 120.5(6) . . ?
C56 C55 H55 119.7 . . ?
C55 C56 H56 119.2 . . ?
C55 C56 C57 121.6(6) . . ?
C57 C56 H56 119.2 . . ?
C56 C57 C60 121.1(6) . . ?
C58 C57 C56 117.5(6) . . ?
C58 C57 C60 121.3(6) . . ?
C57 C58 H58 119.2 . . ?
C57 C58 C59 121.6(6) . . ?
C59 C58 H58 119.2 . . ?
C54 C59 C58 120.0(6) . . ?
C54 C59 H59 120.0 . . ?
C58 C59 H59 120.0 . . ?
C57 C60 H60A 109.5 . . ?
C57 C60 H60B 109.5 . . ?
C57 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 P1 C17 C18 42.6(6) . . . . ?
Au1 P1 C17 C22 -140.1(5) . . . . ?
Au1 P1 C24 C25 -153.7(4) . . . . ?
Au1 P1 C24 C29 22.1(5) . . . . ?
Au1 P1 C31 C32 -140.7(5) . . . . ?
Au1 P1 C31 C36 44.5(5) . . . . ?
Au2 P2 C40 C41 -17.9(5) . . . . ?
Au2 P2 C40 C45 166.7(4) . . . . ?
Au2 P2 C47 C48 -44.3(5) . . . . ?
Au2 P2 C47 C52 138.6(5) . . . . ?
Au2 P2 C54 C55 -59.1(5) . . . . ?
Au2 P2 C54 C59 116.1(5) . . . . ?
P1 C17 C18 C19 179.8(7) . . . . ?
P1 C17 C22 C21 179.8(5) . . . . ?
P1 C24 C25 C26 174.2(5) . . . . ?
P1 C24 C29 C28 -174.6(4) . . . . ?
P1 C31 C32 C33 -172.1(5) . . . . ?
P1 C31 C36 C35 172.0(5) . . . . ?
P2 C40 C41 C42 -174.1(5) . . . . ?
P2 C40 C45 C44 174.5(4) . . . . ?
P2 C47 C48 C49 -176.3(5) . . . . ?
P2 C47 C52 C51 176.3(5) . . . . ?
P2 C54 C55 C56 176.5(5) . . . . ?
P2 C54 C59 C58 -175.0(6) . . . . ?
C1 C2 C3 C4 178.8(4) . . . . ?
C1 C2 C11 C10 -177.1(4) . . . . ?
C1 C2 C11 C12 1.5(7) . . . . ?
C2 C1 C14 C13 2.0(8) . . . . ?
C2 C3 C4 C5 178.1(5) . . . . ?
C2 C3 C4 C9 -0.7(7) . . . . ?
C2 C11 C12 C13 1.9(8) . . . . ?
C3 C2 C11 C10 4.4(7) . . . . ?
C3 C2 C11 C12 -177.0(4) . . . . ?
C3 C4 C5 C6 176.8(5) . . . . ?
C3 C4 C5 C38 -5.2(7) . . . . ?
C3 C4 C9 C8 -177.4(5) . . . . ?
C3 C4 C9 C10 2.6(7) . . . . ?
C4 C5 C6 C7 2.0(8) . . . . ?
C4 C9 C10 C11 -0.9(8) . . . . ?
C5 C4 C9 C8 3.7(7) . . . . ?
C5 C4 C9 C10 -176.3(5) . . . . ?
C5 C6 C7 C8 1.2(9) . . . . ?
C6 C7 C8 C9 -1.9(9) . . . . ?
C7 C8 C9 C4 -0.6(8) . . . . ?
C7 C8 C9 C10 179.4(5) . . . . ?
C8 C9 C10 C11 179.1(5) . . . . ?
C9 C4 C5 C6 -4.3(7) . . . . ?
C9 C4 C5 C38 173.7(5) . . . . ?
C9 C10 C11 C2 -2.6(8) . . . . ?
C9 C10 C11 C12 178.9(5) . . . . ?
C10 C11 C12 C13 -179.5(5) . . . . ?
C11 C2 C3 C4 -2.8(7) . . . . ?
C11 C12 C13 C14 -3.5(8) . . . . ?
C12 C13 C14 C1 1.5(8) . . . . ?
C14 C1 C2 C3 175.0(5) . . . . ?
C14 C1 C2 C11 -3.4(7) . . . . ?
C15 C1 C2 C3 -8.1(7) . . . . ?
C15 C1 C2 C11 173.5(4) . . . . ?
C15 C1 C14 C13 -174.9(5) . . . . ?
C17 P1 C24 C25 -33.6(5) . . . . ?
C17 P1 C24 C29 142.2(5) . . . . ?
C17 P1 C31 C32 97.1(5) . . . . ?
C17 P1 C31 C36 -77.7(5) . . . . ?
C17 C18 C19 C20 -0.4(13) . . . . ?
C18 C17 C22 C21 -2.8(10) . . . . ?
C18 C19 C20 C21 -0.9(12) . . . . ?
C18 C19 C20 C23 180.0(8) . . . . ?
C19 C20 C21 C22 0.4(10) . . . . ?
C20 C21 C22 C17 1.5(10) . . . . ?
C22 C17 C18 C19 2.3(11) . . . . ?
C23 C20 C21 C22 179.5(6) . . . . ?
C24 P1 C17 C18 -78.7(6) . . . . ?
C24 P1 C17 C22 98.6(5) . . . . ?
C24 P1 C31 C32 -13.0(6) . . . . ?
C24 P1 C31 C36 172.2(4) . . . . ?
C24 C25 C26 C27 -0.2(9) . . . . ?
C25 C24 C29 C28 1.4(8) . . . . ?
C25 C26 C27 C28 2.4(9) . . . . ?
C25 C26 C27 C30 -178.2(6) . . . . ?
C26 C27 C28 C29 -2.7(8) . . . . ?
C27 C28 C29 C24 0.9(8) . . . . ?
C29 C24 C25 C26 -1.7(9) . . . . ?
C30 C27 C28 C29 177.9(5) . . . . ?
C31 P1 C17 C18 168.8(6) . . . . ?
C31 P1 C17 C22 -13.9(6) . . . . ?
C31 P1 C24 C25 76.1(5) . . . . ?
C31 P1 C24 C29 -108.1(5) . . . . ?
C31 C32 C33 C34 -0.1(11) . . . . ?
C32 C31 C36 C35 -3.0(9) . . . . ?
C32 C33 C34 C35 -2.1(11) . . . . ?
C32 C33 C34 C37 179.2(7) . . . . ?
C33 C34 C35 C36 1.8(10) . . . . ?
C34 C35 C36 C31 0.8(10) . . . . ?
C36 C31 C32 C33 2.7(9) . . . . ?
C37 C34 C35 C36 -179.6(7) . . . . ?
C38 C5 C6 C7 -176.0(5) . . . . ?
C40 P2 C47 C48 86.2(5) . . . . ?
C40 P2 C47 C52 -90.9(6) . . . . ?
C40 P2 C54 C55 177.4(5) . . . . ?
C40 P2 C54 C59 -7.4(6) . . . . ?
C40 C41 C42 C43 -0.1(9) . . . . ?
C41 C40 C45 C44 -0.9(8) . . . . ?
C41 C42 C43 C44 -1.8(9) . . . . ?
C41 C42 C43 C46 176.0(6) . . . . ?
C42 C43 C44 C45 2.3(8) . . . . ?
C43 C44 C45 C40 -0.9(9) . . . . ?
C45 C40 C41 C42 1.4(9) . . . . ?
C46 C43 C44 C45 -175.6(5) . . . . ?
C47 P2 C40 C41 -148.7(5) . . . . ?
C47 P2 C40 C45 35.9(5) . . . . ?
C47 P2 C54 C55 65.5(5) . . . . ?
C47 P2 C54 C59 -119.3(5) . . . . ?
C47 C48 C49 C50 -0.4(10) . . . . ?
C48 C47 C52 C51 -0.7(10) . . . . ?
C48 C49 C50 C51 -0.2(10) . . . . ?
C48 C49 C50 C53 179.8(6) . . . . ?
C49 C50 C51 C52 0.4(10) . . . . ?
C50 C51 C52 C47 0.1(10) . . . . ?
C52 C47 C48 C49 0.9(9) . . . . ?
C53 C50 C51 C52 -179.7(6) . . . . ?
C54 P2 C40 C41 99.4(5) . . . . ?
C54 P2 C40 C45 -76.0(5) . . . . ?
C54 P2 C47 C48 -162.6(5) . . . . ?
C54 P2 C47 C52 20.3(6) . . . . ?
C54 C55 C56 C57 -2.0(10) . . . . ?
C55 C54 C59 C58 0.2(10) . . . . ?
C55 C56 C57 C58 1.6(10) . . . . ?
C55 C56 C57 C60 -179.4(7) . . . . ?
C56 C57 C58 C59 -0.3(11) . . . . ?
C57 C58 C59 C54 -0.6(12) . . . . ?
C59 C54 C55 C56 1.1(10) . . . . ?
C60 C57 C58 C59 -179.3(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.144
####################################################################### 
# 
# 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_compound_5
_database_code_depnum_ccdc_archive 'CCDC 1878773'
loop_
_audit_author_name
_audit_author_address
'Hans-Georg Stammler'
;University of Bielefeld, Department of Chemistry, Inorganic and Structural Chemistry, Germany
Germany
;
_audit_update_record             
;
2018-11-13 deposited with the CCDC.	2019-02-19 downloaded from the CCDC.
;

_vrf_PLAT971_compound_5          
;
PROBLEM: Check Calcd Resid. Dens.  0.82A   From Au2             3.56 eA-3
RESPONSE: Only a very small needle-shaped crystal could be obtained,  so the 
high resid. dens. in this gold containing structure is not really surprising.
;
_vrf_PLAT972_compound_5          
;
PROBLEM: Check Calcd Resid. Dens.  0.82A   From Au1            -5.05 eA-3
RESPONSE: Only a very small needle-shaped crystal could be obtained,  so the 
high resid. dens. in this gold containing structure is not really surprising.
;
_vrf_PLAT973_compound_5          
;
PROBLEM: Check Calcd Positive Resid. Density on       Au2       2.11 eA-3
RESPONSE: Only a very small needle-shaped crystal could be obtained,  so the 
high resid. dens. in this gold containing structure is not really surprising.
;
_vrf_PLAT342_compound_5          
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02568 Ang.
RESPONSE: Only a very small needle-shaped crystal could be obtained,  so the low 
bond precision on C-C bonds in this gold containing structure is not 
really surprising.
;
_vrf_PLAT971_compound_5_2        
;
PROBLEM: Check Calcd Resid. Dens.  0.99A   From Au1             2.66 eA-3
RESPONSE: Only a very small needle-shaped crystal could be obtained,  so the 
high resid. dens. in this gold containing structure is not really surprising.
;
_vrf_PLAT972_compound_5_2        
;
PROBLEM: Check Calcd Resid. Dens.  1.07A   From Au1            -3.27 eA-3
RESPONSE: Only a very small needle-shaped crystal could be obtained,  so the 
high resid. dens. in this gold containing structure is not really surprising.
;


_audit_creation_date             2018-01-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C84 H124 Au4 P4'
_chemical_formula_sum            'C84 H124 Au4 P4'
_chemical_formula_weight         2045.57
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C48 H99 Au2'
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'
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      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                   11.2609(13)
_cell_length_b                   14.3119(17)
_cell_length_c                   14.3796(12)
_cell_angle_alpha                117.469(11)
_cell_angle_beta                 97.066(10)
_cell_angle_gamma                96.219(10)
_cell_volume                     2004.4(4)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    3196
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      71.7930
_cell_measurement_theta_min      3.5040
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    14.506
_exptl_absorpt_correction_T_max  0.908
_exptl_absorpt_correction_T_min  0.786
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.695
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1004
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
1 -5 -4 0.0088
-1 5 4 0.0088
1 0 0 0.0213
-1 0 0 0.0213
0 -1 1 0.0082
0 1 -1 0.0082

_exptl_crystal_size_max          0.044
_exptl_crystal_size_mid          0.018
_exptl_crystal_size_min          0.016
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
1.0121 -5.0042 -4.0510 0.1004 -0.2738 -0.8955
-1.0121 5.0042 4.0510 -0.1004 0.2738 0.8955
1.0017 -0.0017 -0.0044 -0.0432 0.1293 -0.0338
-1.0017 0.0017 0.0044 0.0432 -0.1293 0.0338
0.0079 -0.9995 0.9961 0.1187 0.0396 -0.0081
-0.0079 0.9995 -0.9961 -0.1187 -0.0396 0.0081

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0758
_diffrn_reflns_av_unetI/netI     0.1191
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13679
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.104
_diffrn_reflns_theta_min         3.533
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3114
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -91.00 -15.00   1.00   27.61    --  -42.08 -57.00  90.00   76
  2  ω   -118.00  -5.00   1.00   27.61    --  -42.08 -19.00 150.00  113
  3  ω    -51.00  29.00   1.00   27.61    --  -42.08  38.00 -30.00   80
  4  ω     84.00 125.00   1.00   27.61    --   42.08-178.00 -30.00   41
  5  ω     58.00 123.00   1.00   27.61    --   42.08 178.00 120.00   65
  6  ω     72.00 114.00   1.00   90.00    --  108.91 -45.00  90.00   42
  7  ω     85.00 178.00   1.00   90.00    --  108.91  30.00 -90.00   93
  8  ω     45.00 134.00   1.00   90.00    --  108.91 -61.00-180.00   89
  9  ω     28.00 103.00   1.00   90.00    --  108.91 -94.00 150.00   75
 10  ω     53.00 121.00   1.00   90.00    --  108.91-125.00  30.00   68
 11  ω     94.00 173.00   1.00   90.00    --  108.91 125.00-180.00   79
 12  ω    106.00 131.00   1.00   90.00    --  108.91 125.00  60.00   25
 13  ω    150.00 175.00   1.00   90.00    --  108.91 125.00  60.00   25
 14  ω     78.00 154.00   1.00   90.00    --  108.91  77.00   0.00   76
 15  ω     93.00 120.00   1.00   90.00    --  108.91-125.00-120.00   27
 16  ω     86.00 163.00   1.00   90.00    --  108.91  61.00 150.00   77
 17  ω     94.00 142.00   1.00   90.00    --  108.91 125.00  90.00   48
 18  ω    109.00 178.00   1.00   90.00    --  108.91 125.00-150.00   69
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0430372000
_diffrn_orient_matrix_UB_12      -0.0692502000
_diffrn_orient_matrix_UB_13      0.0500057000
_diffrn_orient_matrix_UB_21      0.1293987000
_diffrn_orient_matrix_UB_22      0.0273346000
_diffrn_orient_matrix_UB_23      0.0661521000
_diffrn_orient_matrix_UB_31      -0.0331592000
_diffrn_orient_matrix_UB_32      0.0985478000
_diffrn_orient_matrix_UB_33      0.0910319000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5119
_reflns_number_total             7736
_reflns_odcompleteness_completeness 97.59
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     72.20
_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 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         3.634
_refine_diff_density_min         -4.846
_refine_diff_density_rms         0.239
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     421
_refine_ls_number_reflns         7736
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1002
_refine_ls_R_factor_gt           0.0648
_refine_ls_restrained_S_all      1.014
_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)+(0.0746P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1588
_refine_ls_wR_factor_ref         0.1823
_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
2.a Secondary CH2 refined with riding coordinates:
 C19(H19A,H19B), C20(H20A,H20B), C21(H21A,H21B), C23(H23A,H23B), C24(H24A,
 H24B), C25(H25A,H25B), C27(H27A,H27B), C28(H28A,H28B), C29(H29A,H29B),
 C31(H31A,H31B), C32(H32A,H32B), C33(H33A,H33B), C35(H35A,H35B), C36(H36A,H36B),
  C37(H37A,H37B), C39(H39A,H39B), C40(H40A,H40B), C41(H41A,H41B)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C6(H6), C7(H7), C8(H8), C10(H10), C12(H12), C13(H13), C14(H14)
2.c Idealised Me refined as rotating group:
 C22(H22A,H22B,H22C), C26(H26A,H26B,H26C), C30(H30A,H30B,H30C), C34(H34A,H34B,
 H34C), C38(H38A,H38B,H38C), C42(H42A,H42B,H42C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.66519(4) 0.38533(5) 0.44094(5) 0.03170(16) Uani 1 1 d . . . . .
Au2 Au 0.63672(4) 0.36102(5) 0.21705(5) 0.03644(18) Uani 1 1 d . . . . .
P1 P 0.7992(3) 0.2731(3) 0.1845(3) 0.0345(7) Uani 1 1 d . . . . .
P2 P 0.4748(3) 0.4499(3) 0.2358(3) 0.0393(8) Uani 1 1 d . . . . .
C1 C 0.9188(12) 0.7000(12) 0.5228(11) 0.035(3) Uani 1 1 d . . . . .
C2 C 0.8770(11) 0.8030(11) 0.5585(10) 0.032(3) Uani 1 1 d . . . . .
C3 C 0.7561(11) 0.8112(11) 0.5739(10) 0.031(3) Uani 1 1 d . . . . .
H3 H 0.703293 0.752441 0.566371 0.038 Uiso 1 1 calc R . . . .
C4 C 0.7159(11) 0.9093(12) 0.6007(11) 0.036(3) Uani 1 1 d . . . . .
C5 C 0.5907(12) 0.9165(12) 0.6094(11) 0.035(3) Uani 1 1 d . . . . .
C6 C 0.5527(13) 1.0124(13) 0.6282(13) 0.045(4) Uani 1 1 d . . . . .
H6 H 0.471743 1.017800 0.632372 0.054 Uiso 1 1 calc R . . . .
C7 C 0.6349(13) 1.1012(12) 0.6409(15) 0.050(4) Uani 1 1 d . . . . .
H7 H 0.606769 1.163365 0.651347 0.060 Uiso 1 1 calc R . . . .
C8 C 0.7556(13) 1.0972(12) 0.6382(14) 0.046(4) Uani 1 1 d . . . . .
H8 H 0.809695 1.157988 0.651771 0.055 Uiso 1 1 calc R . . . .
C9 C 0.7975(13) 1.0010(13) 0.6147(12) 0.041(3) Uani 1 1 d . . . . .
C10 C 0.9204(12) 0.9918(12) 0.6049(12) 0.039(3) Uani 1 1 d . . . . .
H10 H 0.975354 1.051744 0.617717 0.047 Uiso 1 1 calc R . . . .
C11 C 0.9605(12) 0.8955(12) 0.5768(12) 0.038(3) Uani 1 1 d . . . . .
C12 C 1.0811(12) 0.8854(12) 0.5579(12) 0.040(3) Uani 1 1 d . . . . .
H12 H 1.135224 0.945160 0.568966 0.048 Uiso 1 1 calc R . . . .
C13 C 1.1180(12) 0.7890(13) 0.5237(13) 0.044(4) Uani 1 1 d . . . . .
H13 H 1.196274 0.782635 0.510239 0.053 Uiso 1 1 calc R . . . .
C14 C 1.0357(11) 0.6985(12) 0.5089(11) 0.036(3) Uani 1 1 d . . . . .
H14 H 1.063694 0.634337 0.488543 0.043 Uiso 1 1 calc R . . . .
C15 C 0.8373(9) 0.6047(10) 0.5001(10) 0.027(3) Uani 1 1 d . . . . .
C16 C 0.7716(10) 0.5245(10) 0.4770(10) 0.029(3) Uani 1 1 d . . . . .
C17 C 0.5062(11) 0.8275(12) 0.5960(11) 0.037(3) Uani 1 1 d . . . . .
C18 C 0.4386(11) 0.7496(10) 0.5855(10) 0.028(3) Uani 1 1 d . . . . .
C19 C 0.9437(12) 0.3548(11) 0.2695(11) 0.037(3) Uani 1 1 d . . . . .
H19A H 0.931107 0.393699 0.342211 0.044 Uiso 1 1 calc R . . . .
H19B H 0.999609 0.307419 0.268437 0.044 Uiso 1 1 calc R . . . .
C20 C 1.0047(11) 0.4358(12) 0.2397(13) 0.042(3) Uani 1 1 d . . . . .
H20A H 1.079784 0.475298 0.291404 0.051 Uiso 1 1 calc R . . . .
H20B H 1.026396 0.396274 0.170525 0.051 Uiso 1 1 calc R . . . .
C21 C 0.9297(13) 0.5160(13) 0.2349(13) 0.045(4) Uani 1 1 d . . . . .
H21A H 0.858503 0.477695 0.178078 0.054 Uiso 1 1 calc R . . . .
H21B H 0.901445 0.551572 0.301676 0.054 Uiso 1 1 calc R . . . .
C22 C 0.9987(16) 0.5994(15) 0.2158(16) 0.058(5) Uani 1 1 d . . . . .
H22A H 1.020120 0.565483 0.146682 0.087 Uiso 1 1 calc GR . . . .
H22B H 1.071378 0.635386 0.269794 0.087 Uiso 1 1 calc GR . . . .
H22C H 0.948618 0.650502 0.218780 0.087 Uiso 1 1 calc GR . . . .
C23 C 0.8247(12) 0.2218(13) 0.0478(11) 0.041(3) Uani 1 1 d . . . . .
H23A H 0.750258 0.175365 -0.001014 0.049 Uiso 1 1 calc R . . . .
H23B H 0.841124 0.281795 0.034068 0.049 Uiso 1 1 calc R . . . .
C24 C 0.9300(12) 0.1589(14) 0.0226(14) 0.058(5) Uani 1 1 d . . . . .
H24A H 0.910784 0.095101 0.029745 0.070 Uiso 1 1 calc R . . . .
H24B H 1.003650 0.202921 0.074401 0.070 Uiso 1 1 calc R . . . .
C25 C 0.9544(15) 0.1249(18) -0.0941(14) 0.063(5) Uani 1 1 d . . . . .
H25A H 1.000377 0.067309 -0.114609 0.076 Uiso 1 1 calc R . . . .
H25B H 0.876995 0.097878 -0.143994 0.076 Uiso 1 1 calc R . . . .
C26 C 1.018(2) 0.210(2) -0.101(2) 0.086(7) Uani 1 1 d . . . . .
H26A H 1.035689 0.184389 -0.171673 0.129 Uiso 1 1 calc GR . . . .
H26B H 1.093398 0.239129 -0.049603 0.129 Uiso 1 1 calc GR . . . .
H26C H 0.970058 0.264497 -0.087122 0.129 Uiso 1 1 calc GR . . . .
C27 C 0.7799(12) 0.1606(11) 0.2096(12) 0.039(3) Uani 1 1 d . . . . .
H27A H 0.847515 0.123614 0.190488 0.046 Uiso 1 1 calc R . . . .
H27B H 0.784178 0.187737 0.285638 0.046 Uiso 1 1 calc R . . . .
C28 C 0.6613(13) 0.0794(11) 0.1498(12) 0.039(3) Uani 1 1 d . . . . .
H28A H 0.593293 0.115192 0.171238 0.047 Uiso 1 1 calc R . . . .
H28B H 0.655016 0.053910 0.073798 0.047 Uiso 1 1 calc R . . . .
C29 C 0.6512(14) -0.0161(15) 0.1697(15) 0.055(4) Uani 1 1 d . . . . .
H29A H 0.660202 0.009224 0.245893 0.066 Uiso 1 1 calc R . . . .
H29B H 0.717115 -0.053864 0.145577 0.066 Uiso 1 1 calc R . . . .
C30 C 0.5298(16) -0.0938(14) 0.1123(15) 0.061(5) Uani 1 1 d . . . . .
H30A H 0.522162 -0.121925 0.036574 0.091 Uiso 1 1 calc GR . . . .
H30B H 0.464132 -0.056776 0.135517 0.091 Uiso 1 1 calc GR . . . .
H30C H 0.526765 -0.151708 0.128918 0.091 Uiso 1 1 calc GR . . . .
C31 C 0.5245(14) 0.5922(15) 0.3202(15) 0.055(4) Uani 1 1 d . . . . .
H31A H 0.457003 0.628084 0.316966 0.066 Uiso 1 1 calc R . . . .
H31B H 0.548647 0.607220 0.393605 0.066 Uiso 1 1 calc R . . . .
C32 C 0.6356(12) 0.6391(11) 0.2861(13) 0.043(3) Uani 1 1 d . . . . .
H32A H 0.711267 0.636891 0.324748 0.051 Uiso 1 1 calc R . . . .
H32B H 0.632536 0.593808 0.210437 0.051 Uiso 1 1 calc R . . . .
C33 C 0.6354(14) 0.7537(13) 0.3079(14) 0.049(4) Uani 1 1 d . . . . .
H33A H 0.565162 0.755009 0.262402 0.059 Uiso 1 1 calc R . . . .
H33B H 0.628886 0.797842 0.381664 0.059 Uiso 1 1 calc R . . . .
C34 C 0.7509(16) 0.7997(16) 0.2870(18) 0.067(5) Uani 1 1 d . . . . .
H34A H 0.755800 0.757796 0.213253 0.100 Uiso 1 1 calc GR . . . .
H34B H 0.820525 0.797997 0.331563 0.100 Uiso 1 1 calc GR . . . .
H34C H 0.749359 0.872474 0.302892 0.100 Uiso 1 1 calc GR . . . .
C35 C 0.3580(12) 0.4150(13) 0.2969(12) 0.042(3) Uani 1 1 d . . . . .
H35A H 0.397276 0.416967 0.361840 0.051 Uiso 1 1 calc R . . . .
H35B H 0.307259 0.469200 0.317060 0.051 Uiso 1 1 calc R . . . .
C36 C 0.2753(13) 0.3041(14) 0.2255(14) 0.048(4) Uani 1 1 d . . . . .
H36A H 0.217273 0.293043 0.265662 0.058 Uiso 1 1 calc R . . . .
H36B H 0.229420 0.305121 0.164393 0.058 Uiso 1 1 calc R . . . .
C37 C 0.3402(13) 0.2091(13) 0.1847(13) 0.048(4) Uani 1 1 d . . . . .
H37A H 0.390172 0.213732 0.136079 0.057 Uiso 1 1 calc R . . . .
H37B H 0.393335 0.211153 0.244326 0.057 Uiso 1 1 calc R . . . .
C38 C 0.2502(14) 0.1054(13) 0.1280(15) 0.057(5) Uani 1 1 d . . . . .
H38A H 0.208588 0.096973 0.061379 0.085 Uiso 1 1 calc GR . . . .
H38B H 0.192108 0.106039 0.171745 0.085 Uiso 1 1 calc GR . . . .
H38C H 0.292271 0.046958 0.114510 0.085 Uiso 1 1 calc GR . . . .
C39 C 0.3976(13) 0.4363(16) 0.1072(13) 0.052(4) Uani 1 1 d . . . . .
H39A H 0.455278 0.468946 0.080922 0.062 Uiso 1 1 calc R . . . .
H39B H 0.374743 0.360702 0.055564 0.062 Uiso 1 1 calc R . . . .
C40 C 0.2839(15) 0.4869(17) 0.1132(15) 0.058(5) Uani 1 1 d . . . . .
H40A H 0.213720 0.435606 0.104070 0.069 Uiso 1 1 calc R . . . .
H40B H 0.293542 0.548888 0.183176 0.069 Uiso 1 1 calc R . . . .
C41 C 0.2619(14) 0.5207(16) 0.0288(15) 0.058(5) Uani 1 1 d . . . . .
H41A H 0.178329 0.531298 0.021104 0.070 Uiso 1 1 calc R . . . .
H41B H 0.270556 0.462590 -0.038759 0.070 Uiso 1 1 calc R . . . .
C42 C 0.3463(15) 0.6231(16) 0.0504(15) 0.065(5) Uani 1 1 d . . . . .
H42A H 0.336576 0.630773 -0.012865 0.097 Uiso 1 1 calc GR . . . .
H42B H 0.429331 0.618475 0.069656 0.097 Uiso 1 1 calc GR . . . .
H42C H 0.325863 0.684011 0.107803 0.097 Uiso 1 1 calc GR . . . .


_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 3.0459(9) . ?
Au1 C16 2.013(13) . ?
Au1 C18 1.990(13) 2_666 ?
Au2 P1 2.306(3) . ?
Au2 P2 2.307(3) . ?
P1 C19 1.813(14) . ?
P1 C23 1.828(14) . ?
P1 C27 1.801(15) . ?
P2 C31 1.800(19) . ?
P2 C35 1.816(15) . ?
P2 C39 1.857(15) . ?
C1 C2 1.47(2) . ?
C1 C14 1.357(18) . ?
C1 C15 1.432(18) . ?
C2 C3 1.414(17) . ?
C2 C11 1.43(2) . ?
C3 H3 0.9300 . ?
C3 C4 1.42(2) . ?
C4 C5 1.441(17) . ?
C4 C9 1.43(2) . ?
C5 C6 1.40(2) . ?
C5 C17 1.425(19) . ?
C6 H6 0.9300 . ?
C6 C7 1.41(2) . ?
C7 H7 0.9300 . ?
C7 C8 1.37(2) . ?
C8 H8 0.9300 . ?
C8 C9 1.41(2) . ?
C9 C10 1.422(18) . ?
C10 H10 0.9300 . ?
C10 C11 1.39(2) . ?
C11 C12 1.427(18) . ?
C12 H12 0.9300 . ?
C12 C13 1.37(2) . ?
C13 H13 0.9300 . ?
C13 C14 1.42(2) . ?
C14 H14 0.9300 . ?
C15 C16 1.175(17) . ?
C17 C18 1.216(19) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C19 C20 1.54(2) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 C21 1.52(2) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 C22 1.50(2) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 C24 1.544(19) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 C25 1.59(2) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 C26 1.40(3) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C27 C28 1.527(18) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C28 C29 1.52(2) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C29 C30 1.53(2) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C31 C32 1.59(2) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C32 C33 1.52(2) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C33 C34 1.52(2) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C35 C36 1.54(2) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C36 C37 1.52(2) . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C37 C38 1.50(2) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C39 C40 1.53(2) . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C40 C41 1.50(3) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C41 C42 1.53(3) . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?

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
C16 Au1 Au2 81.5(4) . . ?
C18 Au1 Au2 101.8(3) 2_666 . ?
C18 Au1 C16 176.6(5) 2_666 . ?
P1 Au2 Au1 91.18(9) . . ?
P1 Au2 P2 174.88(13) . . ?
P2 Au2 Au1 93.84(10) . . ?
C19 P1 Au2 114.1(5) . . ?
C19 P1 C23 105.3(7) . . ?
C23 P1 Au2 114.0(5) . . ?
C27 P1 Au2 111.4(4) . . ?
C27 P1 C19 104.4(7) . . ?
C27 P1 C23 107.0(7) . . ?
C31 P2 Au2 111.3(5) . . ?
C31 P2 C35 103.7(7) . . ?
C31 P2 C39 104.2(9) . . ?
C35 P2 Au2 116.5(5) . . ?
C35 P2 C39 107.4(7) . . ?
C39 P2 Au2 112.6(5) . . ?
C14 C1 C2 117.4(13) . . ?
C14 C1 C15 121.6(13) . . ?
C15 C1 C2 121.0(11) . . ?
C3 C2 C1 120.9(12) . . ?
C3 C2 C11 120.1(12) . . ?
C11 C2 C1 119.0(12) . . ?
C2 C3 H3 120.2 . . ?
C2 C3 C4 119.7(13) . . ?
C4 C3 H3 120.2 . . ?
C3 C4 C5 120.2(13) . . ?
C3 C4 C9 120.5(12) . . ?
C9 C4 C5 119.2(13) . . ?
C6 C5 C4 118.3(14) . . ?
C6 C5 C17 120.4(12) . . ?
C17 C5 C4 121.2(13) . . ?
C5 C6 H6 119.4 . . ?
C5 C6 C7 121.2(13) . . ?
C7 C6 H6 119.4 . . ?
C6 C7 H7 119.5 . . ?
C8 C7 C6 121.1(14) . . ?
C8 C7 H7 119.5 . . ?
C7 C8 H8 120.0 . . ?
C7 C8 C9 119.9(14) . . ?
C9 C8 H8 120.0 . . ?
C8 C9 C4 120.1(13) . . ?
C8 C9 C10 121.7(14) . . ?
C10 C9 C4 118.3(14) . . ?
C9 C10 H10 119.1 . . ?
C11 C10 C9 121.7(14) . . ?
C11 C10 H10 119.1 . . ?
C10 C11 C2 119.5(12) . . ?
C10 C11 C12 120.8(14) . . ?
C12 C11 C2 119.5(13) . . ?
C11 C12 H12 119.6 . . ?
C13 C12 C11 120.7(14) . . ?
C13 C12 H12 119.6 . . ?
C12 C13 H13 120.3 . . ?
C12 C13 C14 119.4(12) . . ?
C14 C13 H13 120.3 . . ?
C1 C14 C13 123.9(13) . . ?
C1 C14 H14 118.0 . . ?
C13 C14 H14 118.0 . . ?
C16 C15 C1 177.0(14) . . ?
C15 C16 Au1 177.3(11) . . ?
C18 C17 C5 177.0(15) . . ?
C17 C18 Au1 175.3(12) . 2_666 ?
P1 C19 H19A 108.3 . . ?
P1 C19 H19B 108.3 . . ?
H19A C19 H19B 107.4 . . ?
C20 C19 P1 116.0(10) . . ?
C20 C19 H19A 108.3 . . ?
C20 C19 H19B 108.3 . . ?
C19 C20 H20A 108.3 . . ?
C19 C20 H20B 108.3 . . ?
H20A C20 H20B 107.4 . . ?
C21 C20 C19 116.1(12) . . ?
C21 C20 H20A 108.3 . . ?
C21 C20 H20B 108.3 . . ?
C20 C21 H21A 108.9 . . ?
C20 C21 H21B 108.9 . . ?
H21A C21 H21B 107.7 . . ?
C22 C21 C20 113.4(13) . . ?
C22 C21 H21A 108.9 . . ?
C22 C21 H21B 108.9 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
P1 C23 H23A 108.5 . . ?
P1 C23 H23B 108.5 . . ?
H23A C23 H23B 107.5 . . ?
C24 C23 P1 115.1(11) . . ?
C24 C23 H23A 108.5 . . ?
C24 C23 H23B 108.5 . . ?
C23 C24 H24A 109.1 . . ?
C23 C24 H24B 109.1 . . ?
C23 C24 C25 112.5(16) . . ?
H24A C24 H24B 107.8 . . ?
C25 C24 H24A 109.1 . . ?
C25 C24 H24B 109.1 . . ?
C24 C25 H25A 109.1 . . ?
C24 C25 H25B 109.1 . . ?
H25A C25 H25B 107.8 . . ?
C26 C25 C24 112.5(19) . . ?
C26 C25 H25A 109.1 . . ?
C26 C25 H25B 109.1 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
P1 C27 H27A 108.4 . . ?
P1 C27 H27B 108.4 . . ?
H27A C27 H27B 107.5 . . ?
C28 C27 P1 115.5(11) . . ?
C28 C27 H27A 108.4 . . ?
C28 C27 H27B 108.4 . . ?
C27 C28 H28A 108.8 . . ?
C27 C28 H28B 108.8 . . ?
H28A C28 H28B 107.7 . . ?
C29 C28 C27 113.7(13) . . ?
C29 C28 H28A 108.8 . . ?
C29 C28 H28B 108.8 . . ?
C28 C29 H29A 109.1 . . ?
C28 C29 H29B 109.1 . . ?
C28 C29 C30 112.6(15) . . ?
H29A C29 H29B 107.8 . . ?
C30 C29 H29A 109.1 . . ?
C30 C29 H29B 109.1 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
P2 C31 H31A 109.1 . . ?
P2 C31 H31B 109.1 . . ?
H31A C31 H31B 107.9 . . ?
C32 C31 P2 112.3(11) . . ?
C32 C31 H31A 109.1 . . ?
C32 C31 H31B 109.1 . . ?
C31 C32 H32A 109.0 . . ?
C31 C32 H32B 109.0 . . ?
H32A C32 H32B 107.8 . . ?
C33 C32 C31 113.1(13) . . ?
C33 C32 H32A 109.0 . . ?
C33 C32 H32B 109.0 . . ?
C32 C33 H33A 109.4 . . ?
C32 C33 H33B 109.4 . . ?
H33A C33 H33B 108.0 . . ?
C34 C33 C32 111.2(13) . . ?
C34 C33 H33A 109.4 . . ?
C34 C33 H33B 109.4 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
P2 C35 H35A 108.5 . . ?
P2 C35 H35B 108.5 . . ?
H35A C35 H35B 107.5 . . ?
C36 C35 P2 114.9(10) . . ?
C36 C35 H35A 108.5 . . ?
C36 C35 H35B 108.5 . . ?
C35 C36 H36A 108.3 . . ?
C35 C36 H36B 108.3 . . ?
H36A C36 H36B 107.4 . . ?
C37 C36 C35 115.8(12) . . ?
C37 C36 H36A 108.3 . . ?
C37 C36 H36B 108.3 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 108.1 . . ?
C38 C37 C36 110.8(12) . . ?
C38 C37 H37A 109.5 . . ?
C38 C37 H37B 109.5 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
P2 C39 H39A 108.5 . . ?
P2 C39 H39B 108.5 . . ?
H39A C39 H39B 107.5 . . ?
C40 C39 P2 115.0(12) . . ?
C40 C39 H39A 108.5 . . ?
C40 C39 H39B 108.5 . . ?
C39 C40 H40A 109.3 . . ?
C39 C40 H40B 109.3 . . ?
H40A C40 H40B 108.0 . . ?
C41 C40 C39 111.7(14) . . ?
C41 C40 H40A 109.3 . . ?
C41 C40 H40B 109.3 . . ?
C40 C41 H41A 108.4 . . ?
C40 C41 H41B 108.4 . . ?
C40 C41 C42 115.4(16) . . ?
H41A C41 H41B 107.5 . . ?
C42 C41 H41A 108.4 . . ?
C42 C41 H41B 108.4 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au2 P1 C19 C20 -77.4(10) . . . . ?
Au2 P1 C23 C24 -177.9(10) . . . . ?
Au2 P1 C27 C28 54.6(11) . . . . ?
Au2 P2 C31 C32 49.5(13) . . . . ?
Au2 P2 C35 C36 -72.8(12) . . . . ?
Au2 P2 C39 C40 175.8(12) . . . . ?
P1 C19 C20 C21 56.9(16) . . . . ?
P1 C23 C24 C25 -175.3(12) . . . . ?
P1 C27 C28 C29 177.6(11) . . . . ?
P2 C31 C32 C33 148.1(12) . . . . ?
P2 C35 C36 C37 57.4(18) . . . . ?
P2 C39 C40 C41 152.6(14) . . . . ?
C1 C2 C3 C4 -175.4(13) . . . . ?
C1 C2 C11 C10 176.5(13) . . . . ?
C1 C2 C11 C12 1(2) . . . . ?
C2 C1 C14 C13 -2(2) . . . . ?
C2 C3 C4 C5 175.7(13) . . . . ?
C2 C3 C4 C9 -1(2) . . . . ?
C2 C11 C12 C13 -1(2) . . . . ?
C3 C2 C11 C10 -3(2) . . . . ?
C3 C2 C11 C12 -178.1(13) . . . . ?
C3 C4 C5 C6 -175.3(14) . . . . ?
C3 C4 C5 C17 3(2) . . . . ?
C3 C4 C9 C8 178.0(14) . . . . ?
C3 C4 C9 C10 -2(2) . . . . ?
C4 C5 C6 C7 -1(2) . . . . ?
C4 C9 C10 C11 4(2) . . . . ?
C5 C4 C9 C8 1(2) . . . . ?
C5 C4 C9 C10 -179.5(13) . . . . ?
C5 C6 C7 C8 -2(3) . . . . ?
C6 C7 C8 C9 5(3) . . . . ?
C7 C8 C9 C4 -4(3) . . . . ?
C7 C8 C9 C10 176.3(16) . . . . ?
C8 C9 C10 C11 -176.9(15) . . . . ?
C9 C4 C5 C6 2(2) . . . . ?
C9 C4 C5 C17 180.0(13) . . . . ?
C9 C10 C11 C2 -1(2) . . . . ?
C9 C10 C11 C12 174.2(14) . . . . ?
C10 C11 C12 C13 -175.9(15) . . . . ?
C11 C2 C3 C4 4(2) . . . . ?
C11 C12 C13 C14 -1(2) . . . . ?
C12 C13 C14 C1 3(2) . . . . ?
C14 C1 C2 C3 179.4(13) . . . . ?
C14 C1 C2 C11 0(2) . . . . ?
C15 C1 C2 C3 2(2) . . . . ?
C15 C1 C2 C11 -177.9(12) . . . . ?
C15 C1 C14 C13 175.9(13) . . . . ?
C17 C5 C6 C7 -179.6(15) . . . . ?
C19 P1 C23 C24 56.4(14) . . . . ?
C19 P1 C27 C28 178.1(10) . . . . ?
C19 C20 C21 C22 174.5(14) . . . . ?
C23 P1 C19 C20 48.3(12) . . . . ?
C23 P1 C27 C28 -70.6(11) . . . . ?
C23 C24 C25 C26 78(2) . . . . ?
C27 P1 C19 C20 160.8(10) . . . . ?
C27 P1 C23 C24 -54.3(13) . . . . ?
C27 C28 C29 C30 177.8(13) . . . . ?
C31 P2 C35 C36 164.4(11) . . . . ?
C31 P2 C39 C40 -63.4(15) . . . . ?
C31 C32 C33 C34 173.0(16) . . . . ?
C35 P2 C31 C32 175.5(12) . . . . ?
C35 P2 C39 C40 46.3(16) . . . . ?
C35 C36 C37 C38 173.0(15) . . . . ?
C39 P2 C31 C32 -72.1(13) . . . . ?
C39 P2 C35 C36 54.5(13) . . . . ?
C39 C40 C41 C42 -75(2) . . . . ?

_olex2_date_sample_data_collection 2018-01-16
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.765
_oxdiff_exptl_absorpt_empirical_full_min 0.622
####################################################################### 
# 
# 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_compound4
_database_code_depnum_ccdc_archive 'CCDC 1878772'
loop_
_audit_author_name
_audit_author_address
'Hans-Georg Stammler'
;University of Bielefeld, Department of Chemistry, Inorganic and Structural Chemistry, Germany
Germany
;
_audit_update_record             
;
2018-11-13 deposited with the CCDC.	2019-02-19 downloaded from the CCDC.
;




_audit_creation_date             2016-04-19
_audit_creation_method           
;
Olex2 1.2-ac21
(compiled 2015.09.16 svn.r134, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C78 H58 Au4 P2, C7 H8'
_chemical_formula_sum            'C85 H66 Au4 P2'
_chemical_formula_weight         1937.18
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C85 H66 Au4 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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      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                   14.2534(3)
_cell_length_b                   13.3100(2)
_cell_length_c                   18.9631(4)
_cell_angle_alpha                90
_cell_angle_beta                 111.149(2)
_cell_angle_gamma                90
_cell_volume                     3355.24(13)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    26595
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      30.0460
_cell_measurement_theta_min      2.7120
_exptl_absorpt_coefficient_mu    8.812
_exptl_absorpt_correction_T_max  0.841
_exptl_absorpt_correction_T_min  0.507
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.917
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       fragment
_exptl_crystal_F_000             1844
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-2 0 0 0.0104
-4 9 11 0.0328
4 -9 -11 0.0328
2 0 0 0.0104
4 -11 11 0.0187
0 11 -4 0.0451

_exptl_crystal_size_max          0.112
_exptl_crystal_size_mid          0.069
_exptl_crystal_size_min          0.021
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-2.1674 -0.0030 -0.0166 -0.1142 -0.0099 -0.0174
-4.3792 8.6765 10.8488 0.0186 0.0094 -0.6198
4.3792 -8.6765 -10.8488 -0.0186 -0.0094 0.6198
2.1674 0.0030 0.0166 0.1142 0.0099 0.0174
4.3040 -10.8496 10.9146 0.2980 0.7130 0.2320
0.0077 10.8550 -4.3523 0.0312 -0.4987 -0.3395

_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0479
_diffrn_reflns_av_unetI/netI     0.0275
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            77564
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.080
_diffrn_reflns_theta_min         2.700
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3114
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.9877
_diffrn_measured_fraction_theta_max 0.9668
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -72.00 -24.00   1.00  128.00    --  -17.08 126.00-137.57   48
  2  ω    -75.00 -27.00   1.00  128.00    --  -17.08 131.00 -27.90   48
  3  ω    -50.00  60.00   1.00  128.00    --  -17.08  19.00-120.00  110
  4  ω    -91.00 -39.00   1.00  128.00    --  -17.08 154.00 114.28   52
  5  ω      9.00  86.00   1.00  128.00    --   17.39  57.00   0.00   77
  6  ω    -50.00  38.00   1.00  128.00    --   17.39 -37.00 -30.00   88
  7  ω     62.00  89.00   1.00  128.00    --   17.39  37.00 150.00   27
  8  ω     42.00  90.00   1.00  128.00    --   17.39 178.00   0.00   48
  9  ω    -50.00  43.00   1.00  128.00    --   17.39 -57.00  90.00   93
 10  ω     -8.00  86.00   1.00  128.00    --   17.39  57.00 120.00   94
 11  ω    -12.00  89.00   1.00  128.00    --   17.39  77.00-120.00  101
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0525356000
_diffrn_orient_matrix_UB_12      0.0091090000
_diffrn_orient_matrix_UB_13      0.0156403000
_diffrn_orient_matrix_UB_21      0.0043761000
_diffrn_orient_matrix_UB_22      -0.0339891000
_diffrn_orient_matrix_UB_23      0.0298155000
_diffrn_orient_matrix_UB_31      0.0082633000
_diffrn_orient_matrix_UB_32      -0.0400204000
_diffrn_orient_matrix_UB_33      -0.0217872000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8202
_reflns_number_total             9849
_reflns_odcompleteness_completeness 99.85
_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 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  
;
SHELXL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.917
_refine_diff_density_min         -0.933
_refine_diff_density_rms         0.139
_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     443
_refine_ls_number_reflns         9849
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0392
_refine_ls_R_factor_gt           0.0267
_refine_ls_restrained_S_all      1.026
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0271P)²+6.4550P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0570
_refine_ls_wR_factor_ref         0.0617
_refine_special_details          
;
 Disorder of C(19)-C(25) over two sites (85:15)
 Disorder of toluene on an inversion center.
;
_atom_sites_solution_hydrogens   geom
_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 0.53204(2) 0.49633(2) 0.38678(2) 0.01994(4) Uani 1 1 d . . . . .
Au2 Au 0.62698(2) 0.36137(2) 0.50931(2) 0.02465(4) Uani 1 1 d . . . . .
P1 P 0.76617(7) 0.38099(7) 0.61348(5) 0.02471(19) Uani 1 1 d . . . . .
C1 C 0.4353(3) 0.1634(2) 0.38518(18) 0.0199(6) Uani 1 1 d . . . . .
C2 C 0.4089(3) 0.1158(2) 0.44375(18) 0.0192(6) Uani 1 1 d . . . . .
C3 C 0.4154(3) 0.1658(2) 0.51006(18) 0.0191(6) Uani 1 1 d . . . . .
H3 H 0.4358 0.2342 0.5165 0.023 Uiso 1 1 calc R U . . .
C4 C 0.3926(2) 0.1177(2) 0.56683(18) 0.0181(6) Uani 1 1 d . . . . .
C5 C 0.3961(3) 0.1711(3) 0.63442(18) 0.0204(6) Uani 1 1 d . . . . .
C6 C 0.3769(3) 0.1195(3) 0.69087(19) 0.0235(7) Uani 1 1 d . . . . .
H6 H 0.3792 0.1540 0.7353 0.028 Uiso 1 1 calc R U . . .
C7 C 0.3535(3) 0.0152(3) 0.6831(2) 0.0258(7) Uani 1 1 d . . . . .
H7 H 0.3425 -0.0194 0.7232 0.031 Uiso 1 1 calc R U . . .
C8 C 0.3467(3) -0.0360(3) 0.6195(2) 0.0257(7) Uani 1 1 d . . . . .
H8 H 0.3300 -0.1054 0.6154 0.031 Uiso 1 1 calc R U . . .
C9 C 0.3644(3) 0.0134(3) 0.5590(2) 0.0215(7) Uani 1 1 d . . . . .
C10 C 0.3561(3) -0.0359(3) 0.4918(2) 0.0236(7) Uani 1 1 d . . . . .
H10 H 0.3367 -0.1046 0.4859 0.028 Uiso 1 1 calc R U . . .
C11 C 0.3756(3) 0.0129(2) 0.43287(19) 0.0210(7) Uani 1 1 d . . . . .
C12 C 0.3656(3) -0.0361(3) 0.3635(2) 0.0262(7) Uani 1 1 d . . . . .
H12 H 0.3426 -0.1036 0.3554 0.031 Uiso 1 1 calc R U . . .
C13 C 0.3884(3) 0.0125(3) 0.3089(2) 0.0253(7) Uani 1 1 d . . . . .
H13 H 0.3794 -0.0209 0.2626 0.030 Uiso 1 1 calc R U . . .
C14 C 0.4255(3) 0.1123(3) 0.31985(19) 0.0237(7) Uani 1 1 d . . . . .
H14 H 0.4437 0.1442 0.2818 0.028 Uiso 1 1 calc R U . . .
C15 C 0.4736(3) 0.2645(3) 0.39599(17) 0.0208(7) Uani 1 1 d . . . . .
C16 C 0.5026(3) 0.3513(3) 0.40287(19) 0.0238(7) Uani 1 1 d . . . . .
C17 C 0.4187(2) 0.2758(3) 0.63823(17) 0.0195(6) Uani 1 1 d . . . . .
C18 C 0.4373(3) 0.3635(3) 0.63104(18) 0.0217(7) Uani 1 1 d . . . . .
C19A C 0.8788(3) 0.3544(3) 0.5928(2) 0.0286(11) Uani 0.853(15) 1 d G . P A 1
C20A C 0.8968(3) 0.2572(4) 0.5742(3) 0.0346(12) Uani 0.853(15) 1 d G . P A 1
H20A H 0.8515 0.2047 0.5738 0.042 Uiso 0.853(15) 1 calc R U P A 1
C21A C 0.9810(3) 0.2368(4) 0.5560(3) 0.0471(16) Uani 0.853(15) 1 d G . P A 1
H21A H 0.9933 0.1703 0.5433 0.057 Uiso 0.853(15) 1 calc R U P A 1
C22A C 1.0474(3) 0.3136(5) 0.5566(3) 0.053(2) Uani 0.853(15) 1 d G . P A 1
C23A C 1.0294(4) 0.4109(4) 0.5753(5) 0.057(2) Uani 0.853(15) 1 d G . P A 1
H23A H 1.0747 0.4634 0.5757 0.068 Uiso 0.853(15) 1 calc R U P A 1
C24A C 0.9451(3) 0.4313(3) 0.5934(4) 0.0425(15) Uani 0.853(15) 1 d G . P A 1
H24A H 0.9329 0.4978 0.6062 0.051 Uiso 0.853(15) 1 calc R U P A 1
C25A C 1.1409(6) 0.2908(10) 0.5384(6) 0.085(4) Uani 0.853(15) 1 d . . P A 1
H25A H 1.1420 0.2193 0.5265 0.128 Uiso 0.853(15) 1 calc R U P A 1
H25B H 1.1398 0.3310 0.4948 0.128 Uiso 0.853(15) 1 calc R U P A 1
H25C H 1.2011 0.3075 0.5822 0.128 Uiso 0.853(15) 1 calc R U P A 1
C19B C 0.8880(17) 0.371(2) 0.5998(16) 0.0286(11) Uani 0.147(15) 1 d G . P A 2
C20B C 0.900(2) 0.287(3) 0.5604(15) 0.0346(12) Uani 0.147(15) 1 d G . P A 2
H20B H 0.8475 0.2394 0.5419 0.042 Uiso 0.147(15) 1 calc R U P A 2
C21B C 0.990(2) 0.273(3) 0.5481(16) 0.0471(16) Uani 0.147(15) 1 d G . P A 2
H21B H 0.9981 0.2156 0.5212 0.057 Uiso 0.147(15) 1 calc R U P A 2
C22B C 1.067(2) 0.343(3) 0.5751(19) 0.053(2) Uani 0.147(15) 1 d G . P A 2
C23B C 1.055(2) 0.427(2) 0.614(2) 0.057(2) Uani 0.147(15) 1 d G . P A 2
H23B H 1.1075 0.4747 0.6330 0.068 Uiso 0.147(15) 1 calc R U P A 2
C24B C 0.965(2) 0.4410(19) 0.627(2) 0.0425(15) Uani 0.147(15) 1 d G . P A 2
H24B H 0.9568 0.4984 0.6537 0.051 Uiso 0.147(15) 1 calc R U P A 2
C25B C 1.174(4) 0.329(7) 0.562(4) 0.085(4) Uani 0.147(15) 1 d . . P A 2
H25D H 1.2184 0.3857 0.5853 0.128 Uiso 0.147(15) 1 calc R U P A 2
H25E H 1.2060 0.2662 0.5859 0.128 Uiso 0.147(15) 1 calc R U P A 2
H25F H 1.1615 0.3270 0.5080 0.128 Uiso 0.147(15) 1 calc R U P A 2
C26 C 0.7818(3) 0.5086(3) 0.6489(2) 0.0306(8) Uani 1 1 d . . . . .
C27 C 0.8333(4) 0.5297(4) 0.7248(3) 0.0458(11) Uani 1 1 d . . . . .
H27 H 0.8560 0.4760 0.7599 0.055 Uiso 1 1 calc R U . . .
C28 C 0.8519(4) 0.6274(4) 0.7500(3) 0.0477(12) Uani 1 1 d . . . . .
H28 H 0.8873 0.6400 0.8022 0.057 Uiso 1 1 calc R U . . .
C29 C 0.8201(3) 0.7072(3) 0.7008(3) 0.0394(10) Uani 1 1 d . . . . .
C30 C 0.7698(3) 0.6860(3) 0.6249(3) 0.0373(9) Uani 1 1 d . . . . .
H30 H 0.7490 0.7399 0.5899 0.045 Uiso 1 1 calc R U . . .
C31 C 0.7491(3) 0.5887(3) 0.5990(2) 0.0322(8) Uani 1 1 d . . . . .
H31 H 0.7125 0.5764 0.5469 0.039 Uiso 1 1 calc R U . . .
C32 C 0.8378(4) 0.8144(4) 0.7284(3) 0.0570(14) Uani 1 1 d . . . . .
H32A H 0.7956 0.8296 0.7579 0.085 Uiso 1 1 calc R U . . .
H32B H 0.8206 0.8599 0.6849 0.085 Uiso 1 1 calc R U . . .
H32C H 0.9088 0.8233 0.7602 0.085 Uiso 1 1 calc R U . . .
C33 C 0.7746(3) 0.3022(3) 0.69355(19) 0.0232(7) Uani 1 1 d . . . . .
C34 C 0.8633(3) 0.2563(3) 0.7395(2) 0.0351(9) Uani 1 1 d . . . . .
H34 H 0.9227 0.2628 0.7282 0.042 Uiso 1 1 calc R U . . .
C35 C 0.8648(3) 0.2011(4) 0.8019(2) 0.0400(10) Uani 1 1 d . . . . .
H35 H 0.9255 0.1697 0.8329 0.048 Uiso 1 1 calc R U . . .
C36 C 0.7788(3) 0.1908(3) 0.8200(2) 0.0298(8) Uani 1 1 d . . . . .
C37 C 0.6910(3) 0.2367(3) 0.7734(2) 0.0251(7) Uani 1 1 d . . . . .
H37 H 0.6316 0.2305 0.7848 0.030 Uiso 1 1 calc R U . . .
C38 C 0.6882(3) 0.2912(3) 0.71090(19) 0.0218(7) Uani 1 1 d . . . . .
H38 H 0.6271 0.3214 0.6795 0.026 Uiso 1 1 calc R U . . .
C39 C 0.7805(4) 0.1315(4) 0.8878(3) 0.0479(12) Uani 1 1 d . . . . .
H39A H 0.7535 0.0641 0.8718 0.072 Uiso 1 1 calc R U . . .
H39B H 0.7393 0.1656 0.9122 0.072 Uiso 1 1 calc R U . . .
H39C H 0.8499 0.1261 0.9237 0.072 Uiso 1 1 calc R U . . .
C41 C -0.0225(13) -0.0162(14) 0.5487(9) 0.059(5) Uani 0.5 1 d . . P B -1
C42 C -0.1008(11) 0.0132(12) 0.4826(8) 0.052(3) Uani 0.5 1 d . . P B -1
H42 H -0.1686 0.0044 0.4787 0.062 Uiso 0.5 1 calc R U P B -1
C43 C -0.0803(10) 0.0550(13) 0.4226(7) 0.058(4) Uani 0.5 1 d . . P B -1
H43 H -0.1332 0.0778 0.3786 0.070 Uiso 0.5 1 calc R U P B -1
C44 C 0.0186(12) 0.0625(15) 0.4284(9) 0.062(5) Uani 0.5 1 d . . P B -1
H44 H 0.0338 0.0863 0.3865 0.074 Uiso 0.5 1 calc R U P B -1
C45 C 0.0957(10) 0.0360(13) 0.4940(9) 0.060(4) Uani 0.5 1 d . . P B -1
H45 H 0.1636 0.0456 0.4983 0.072 Uiso 0.5 1 calc R U P B -1
C46 C 0.0745(11) -0.0043(13) 0.5533(8) 0.062(4) Uani 0.5 1 d . . P B -1
H46 H 0.1280 -0.0240 0.5980 0.074 Uiso 0.5 1 calc R U P B -1
C47 C -0.0498(11) -0.0596(13) 0.6138(6) 0.078(4) Uani 0.5 1 d . . P B -1
H47A H -0.0296 -0.0123 0.6562 0.116 Uiso 0.5 1 calc R U P B -1
H47B H -0.0146 -0.1236 0.6302 0.116 Uiso 0.5 1 calc R U P B -1
H47C H -0.1226 -0.0708 0.5966 0.116 Uiso 0.5 1 calc R U 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 Au2 2.86147(19) . ?
Au1 C16 2.021(4) . ?
Au1 C18 1.973(3) 3_666 ?
Au2 P1 2.2537(10) . ?
Au2 C16 2.157(3) . ?
P1 C19A 1.819(3) . ?
P1 C19B 1.85(2) . ?
P1 C26 1.810(4) . ?
P1 C33 1.814(3) . ?
C1 C2 1.442(4) . ?
C1 C14 1.375(5) . ?
C1 C15 1.439(5) . ?
C2 C3 1.396(4) . ?
C2 C11 1.440(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.388(4) . ?
C4 C5 1.450(5) . ?
C4 C9 1.439(5) . ?
C5 C6 1.380(5) . ?
C5 C17 1.426(5) . ?
C6 H6 0.9500 . ?
C6 C7 1.423(5) . ?
C7 H7 0.9500 . ?
C7 C8 1.358(5) . ?
C8 H8 0.9500 . ?
C8 C9 1.421(5) . ?
C9 C10 1.400(5) . ?
C10 H10 0.9500 . ?
C10 C11 1.404(5) . ?
C11 C12 1.429(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.355(5) . ?
C13 H13 0.9500 . ?
C13 C14 1.417(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.218(5) . ?
C17 C18 1.215(5) . ?
C18 Au1 1.973(3) 3_666 ?
C19A C20A 1.3900 . ?
C19A C24A 1.3900 . ?
C20A H20A 0.9500 . ?
C20A C21A 1.3900 . ?
C21A H21A 0.9500 . ?
C21A C22A 1.3900 . ?
C22A C23A 1.3900 . ?
C22A C25A 1.524(9) . ?
C23A H23A 0.9500 . ?
C23A C24A 1.3900 . ?
C24A H24A 0.9500 . ?
C25A H25A 0.9800 . ?
C25A H25B 0.9800 . ?
C25A H25C 0.9800 . ?
C19B C20B 1.3900 . ?
C19B C24B 1.3900 . ?
C20B H20B 0.9500 . ?
C20B C21B 1.3900 . ?
C21B H21B 0.9500 . ?
C21B C22B 1.3900 . ?
C22B C23B 1.3900 . ?
C22B C25B 1.64(6) . ?
C23B H23B 0.9500 . ?
C23B C24B 1.3900 . ?
C24B H24B 0.9500 . ?
C25B H25D 0.9800 . ?
C25B H25E 0.9800 . ?
C25B H25F 0.9800 . ?
C26 C27 1.389(6) . ?
C26 C31 1.389(5) . ?
C27 H27 0.9500 . ?
C27 C28 1.377(7) . ?
C28 H28 0.9500 . ?
C28 C29 1.378(7) . ?
C29 C30 1.385(6) . ?
C29 C32 1.509(6) . ?
C30 H30 0.9500 . ?
C30 C31 1.379(6) . ?
C31 H31 0.9500 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.391(5) . ?
C33 C38 1.391(5) . ?
C34 H34 0.9500 . ?
C34 C35 1.387(5) . ?
C35 H35 0.9500 . ?
C35 C36 1.392(6) . ?
C36 C37 1.387(5) . ?
C36 C39 1.502(5) . ?
C37 H37 0.9500 . ?
C37 C38 1.378(5) . ?
C38 H38 0.9500 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C41 C42 1.400(18) . ?
C41 C46 1.36(2) . ?
C41 C47 1.536(19) . ?
C42 H42 0.9500 . ?
C42 C43 1.390(19) . ?
C43 H43 0.9500 . ?
C43 C44 1.38(2) . ?
C44 H44 0.9500 . ?
C44 C45 1.38(2) . ?
C45 H45 0.9500 . ?
C45 C46 1.38(2) . ?
C46 H46 0.9500 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?

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
C16 Au1 Au2 48.80(10) . . ?
C18 Au1 Au2 131.59(10) 3_666 . ?
C18 Au1 C16 178.30(14) 3_666 . ?
P1 Au2 Au1 130.38(3) . . ?
C16 Au2 Au1 44.83(9) . . ?
C16 Au2 P1 173.64(10) . . ?
C19A P1 Au2 110.81(14) . . ?
C19B P1 Au2 116.3(9) . . ?
C26 P1 Au2 112.65(13) . . ?
C26 P1 C19A 105.2(2) . . ?
C26 P1 C19B 97.0(10) . . ?
C26 P1 C33 105.69(17) . . ?
C33 P1 Au2 115.98(12) . . ?
C33 P1 C19A 105.71(18) . . ?
C33 P1 C19B 107.1(8) . . ?
C14 C1 C2 120.4(3) . . ?
C14 C1 C15 120.0(3) . . ?
C15 C1 C2 119.5(3) . . ?
C3 C2 C1 122.2(3) . . ?
C3 C2 C11 119.6(3) . . ?
C11 C2 C1 118.2(3) . . ?
C2 C3 H3 119.3 . . ?
C4 C3 C2 121.4(3) . . ?
C4 C3 H3 119.3 . . ?
C3 C4 C5 121.1(3) . . ?
C3 C4 C9 120.0(3) . . ?
C9 C4 C5 118.9(3) . . ?
C6 C5 C4 119.3(3) . . ?
C6 C5 C17 123.4(3) . . ?
C17 C5 C4 117.3(3) . . ?
C5 C6 H6 119.7 . . ?
C5 C6 C7 120.6(3) . . ?
C7 C6 H6 119.7 . . ?
C6 C7 H7 119.3 . . ?
C8 C7 C6 121.4(3) . . ?
C8 C7 H7 119.3 . . ?
C7 C8 H8 119.7 . . ?
C7 C8 C9 120.6(3) . . ?
C9 C8 H8 119.7 . . ?
C8 C9 C4 119.1(3) . . ?
C10 C9 C4 118.4(3) . . ?
C10 C9 C8 122.5(3) . . ?
C9 C10 H10 118.9 . . ?
C9 C10 C11 122.2(3) . . ?
C11 C10 H10 118.9 . . ?
C10 C11 C2 118.4(3) . . ?
C10 C11 C12 122.7(3) . . ?
C12 C11 C2 118.9(3) . . ?
C11 C12 H12 119.5 . . ?
C13 C12 C11 120.9(3) . . ?
C13 C12 H12 119.5 . . ?
C12 C13 H13 119.5 . . ?
C12 C13 C14 121.0(3) . . ?
C14 C13 H13 119.5 . . ?
C1 C14 C13 120.4(3) . . ?
C1 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C16 C15 C1 177.4(4) . . ?
Au1 C16 Au2 86.37(13) . . ?
C15 C16 Au1 166.0(3) . . ?
C15 C16 Au2 106.9(3) . . ?
C18 C17 C5 170.8(3) . . ?
C17 C18 Au1 176.5(3) . 3_666 ?
C20A C19A P1 119.6(2) . . ?
C20A C19A C24A 120.0 . . ?
C24A C19A P1 120.4(2) . . ?
C19A C20A H20A 120.0 . . ?
C19A C20A C21A 120.0 . . ?
C21A C20A H20A 120.0 . . ?
C20A C21A H21A 120.0 . . ?
C20A C21A C22A 120.0 . . ?
C22A C21A H21A 120.0 . . ?
C21A C22A C25A 120.0(5) . . ?
C23A C22A C21A 120.0 . . ?
C23A C22A C25A 120.0(5) . . ?
C22A C23A H23A 120.0 . . ?
C24A C23A C22A 120.0 . . ?
C24A C23A H23A 120.0 . . ?
C19A C24A H24A 120.0 . . ?
C23A C24A C19A 120.0 . . ?
C23A C24A H24A 120.0 . . ?
C22A C25A H25A 109.5 . . ?
C22A C25A H25B 109.5 . . ?
C22A C25A H25C 109.5 . . ?
H25A C25A H25B 109.5 . . ?
H25A C25A H25C 109.5 . . ?
H25B C25A H25C 109.5 . . ?
C20B C19B P1 116.0(16) . . ?
C20B C19B C24B 120.0 . . ?
C24B C19B P1 124.0(16) . . ?
C19B C20B H20B 120.0 . . ?
C21B C20B C19B 120.0 . . ?
C21B C20B H20B 120.0 . . ?
C20B C21B H21B 120.0 . . ?
C20B C21B C22B 120.0 . . ?
C22B C21B H21B 120.0 . . ?
C21B C22B C23B 120.0 . . ?
C21B C22B C25B 122(4) . . ?
C23B C22B C25B 118(4) . . ?
C22B C23B H23B 120.0 . . ?
C22B C23B C24B 120.0 . . ?
C24B C23B H23B 120.0 . . ?
C19B C24B H24B 120.0 . . ?
C23B C24B C19B 120.0 . . ?
C23B C24B H24B 120.0 . . ?
C22B C25B H25D 109.5 . . ?
C22B C25B H25E 109.5 . . ?
C22B C25B H25F 109.5 . . ?
H25D C25B H25E 109.5 . . ?
H25D C25B H25F 109.5 . . ?
H25E C25B H25F 109.5 . . ?
C27 C26 P1 121.5(3) . . ?
C31 C26 P1 120.1(3) . . ?
C31 C26 C27 118.2(4) . . ?
C26 C27 H27 119.5 . . ?
C28 C27 C26 120.9(4) . . ?
C28 C27 H27 119.5 . . ?
C27 C28 H28 119.4 . . ?
C27 C28 C29 121.2(4) . . ?
C29 C28 H28 119.4 . . ?
C28 C29 C30 117.8(4) . . ?
C28 C29 C32 121.4(4) . . ?
C30 C29 C32 120.8(4) . . ?
C29 C30 H30 119.1 . . ?
C31 C30 C29 121.8(4) . . ?
C31 C30 H30 119.1 . . ?
C26 C31 H31 120.0 . . ?
C30 C31 C26 120.1(4) . . ?
C30 C31 H31 120.0 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 P1 123.3(3) . . ?
C34 C33 C38 119.2(3) . . ?
C38 C33 P1 117.5(3) . . ?
C33 C34 H34 120.1 . . ?
C35 C34 C33 119.8(4) . . ?
C35 C34 H34 120.1 . . ?
C34 C35 H35 119.4 . . ?
C34 C35 C36 121.2(4) . . ?
C36 C35 H35 119.4 . . ?
C35 C36 C39 121.2(4) . . ?
C37 C36 C35 118.2(3) . . ?
C37 C36 C39 120.6(4) . . ?
C36 C37 H37 119.4 . . ?
C38 C37 C36 121.2(3) . . ?
C38 C37 H37 119.4 . . ?
C33 C38 H38 119.8 . . ?
C37 C38 C33 120.4(3) . . ?
C37 C38 H38 119.8 . . ?
C36 C39 H39A 109.5 . . ?
C36 C39 H39B 109.5 . . ?
C36 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C42 C41 C47 118.3(14) . . ?
C46 C41 C42 119.2(15) . . ?
C46 C41 C47 122.5(13) . . ?
C41 C42 H42 119.7 . . ?
C43 C42 C41 120.6(14) . . ?
C43 C42 H42 119.7 . . ?
C42 C43 H43 120.8 . . ?
C44 C43 C42 118.4(14) . . ?
C44 C43 H43 120.8 . . ?
C43 C44 H44 119.5 . . ?
C45 C44 C43 120.9(15) . . ?
C45 C44 H44 119.5 . . ?
C44 C45 H45 120.0 . . ?
C46 C45 C44 120.0(14) . . ?
C46 C45 H45 120.0 . . ?
C41 C46 C45 120.7(13) . . ?
C41 C46 H46 119.7 . . ?
C45 C46 H46 119.7 . . ?
C41 C47 H47A 109.5 . . ?
C41 C47 H47B 109.5 . . ?
C41 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au2 P1 C19A C20A -66.7(3) . . . . ?
Au2 P1 C19A C24A 111.3(3) . . . . ?
Au2 P1 C19B C20B -50.2(17) . . . . ?
Au2 P1 C19B C24B 130.5(15) . . . . ?
Au2 P1 C26 C27 152.8(4) . . . . ?
Au2 P1 C26 C31 -32.5(4) . . . . ?
Au2 P1 C33 C34 139.5(3) . . . . ?
Au2 P1 C33 C38 -43.2(3) . . . . ?
P1 C19A C20A C21A 178.0(3) . . . . ?
P1 C19A C24A C23A -178.0(3) . . . . ?
P1 C19B C20B C21B -179.4(19) . . . . ?
P1 C19B C24B C23B 179(2) . . . . ?
P1 C26 C27 C28 174.5(4) . . . . ?
P1 C26 C31 C30 -173.6(3) . . . . ?
P1 C33 C34 C35 176.8(3) . . . . ?
P1 C33 C38 C37 -176.5(3) . . . . ?
C1 C2 C3 C4 -178.0(3) . . . . ?
C1 C2 C11 C10 175.9(3) . . . . ?
C1 C2 C11 C12 -2.9(5) . . . . ?
C2 C1 C14 C13 0.6(5) . . . . ?
C2 C3 C4 C5 -177.9(3) . . . . ?
C2 C3 C4 C9 1.8(5) . . . . ?
C2 C11 C12 C13 1.0(5) . . . . ?
C3 C2 C11 C10 -3.6(5) . . . . ?
C3 C2 C11 C12 177.5(3) . . . . ?
C3 C4 C5 C6 -177.4(3) . . . . ?
C3 C4 C5 C17 3.2(5) . . . . ?
C3 C4 C9 C8 176.5(3) . . . . ?
C3 C4 C9 C10 -3.0(5) . . . . ?
C4 C5 C6 C7 -0.1(5) . . . . ?
C4 C9 C10 C11 0.8(5) . . . . ?
C5 C4 C9 C8 -3.8(5) . . . . ?
C5 C4 C9 C10 176.7(3) . . . . ?
C5 C6 C7 C8 -1.9(6) . . . . ?
C6 C7 C8 C9 1.0(6) . . . . ?
C7 C8 C9 C4 1.9(5) . . . . ?
C7 C8 C9 C10 -178.7(4) . . . . ?
C8 C9 C10 C11 -178.7(3) . . . . ?
C9 C4 C5 C6 2.9(5) . . . . ?
C9 C4 C5 C17 -176.5(3) . . . . ?
C9 C10 C11 C2 2.5(5) . . . . ?
C9 C10 C11 C12 -178.7(3) . . . . ?
C10 C11 C12 C13 -177.8(4) . . . . ?
C11 C2 C3 C4 1.5(5) . . . . ?
C11 C12 C13 C14 1.8(6) . . . . ?
C12 C13 C14 C1 -2.6(6) . . . . ?
C14 C1 C2 C3 -178.3(3) . . . . ?
C14 C1 C2 C11 2.1(5) . . . . ?
C15 C1 C2 C3 2.6(5) . . . . ?
C15 C1 C2 C11 -176.9(3) . . . . ?
C15 C1 C14 C13 179.6(3) . . . . ?
C17 C5 C6 C7 179.2(3) . . . . ?
C19A P1 C19B C20B 0(5) . . . . ?
C19A P1 C19B C24B -179(100) . . . . ?
C19A P1 C26 C27 -86.4(4) . . . . ?
C19A P1 C26 C31 88.4(4) . . . . ?
C19A P1 C33 C34 16.3(4) . . . . ?
C19A P1 C33 C38 -166.4(3) . . . . ?
C19A C20A C21A C22A 0.0 . . . . ?
C20A C19A C24A C23A 0.0 . . . . ?
C20A C21A C22A C23A 0.0 . . . . ?
C20A C21A C22A C25A 178.7(5) . . . . ?
C21A C22A C23A C24A 0.0 . . . . ?
C22A C23A C24A C19A 0.0 . . . . ?
C24A C19A C20A C21A 0.0 . . . . ?
C25A C22A C23A C24A -178.7(5) . . . . ?
C19B P1 C19A C20A 161(6) . . . . ?
C19B P1 C19A C24A -21(6) . . . . ?
C19B P1 C26 C27 -84.9(9) . . . . ?
C19B P1 C26 C31 89.9(9) . . . . ?
C19B P1 C33 C34 7.8(11) . . . . ?
C19B P1 C33 C38 -174.9(11) . . . . ?
C19B C20B C21B C22B 0.0 . . . . ?
C20B C19B C24B C23B 0.0 . . . . ?
C20B C21B C22B C23B 0.0 . . . . ?
C20B C21B C22B C25B 180(4) . . . . ?
C21B C22B C23B C24B 0.0 . . . . ?
C22B C23B C24B C19B 0.0 . . . . ?
C24B C19B C20B C21B 0.0 . . . . ?
C25B C22B C23B C24B -180(3) . . . . ?
C26 P1 C19A C20A 171.3(3) . . . . ?
C26 P1 C19A C24A -10.7(4) . . . . ?
C26 P1 C19B C20B -169.7(15) . . . . ?
C26 P1 C19B C24B 10.9(18) . . . . ?
C26 P1 C33 C34 -94.9(4) . . . . ?
C26 P1 C33 C38 82.4(3) . . . . ?
C26 C27 C28 C29 0.0(8) . . . . ?
C27 C26 C31 C30 1.3(6) . . . . ?
C27 C28 C29 C30 -0.7(8) . . . . ?
C27 C28 C29 C32 178.3(5) . . . . ?
C28 C29 C30 C31 1.8(7) . . . . ?
C29 C30 C31 C26 -2.1(6) . . . . ?
C31 C26 C27 C28 -0.3(7) . . . . ?
C32 C29 C30 C31 -177.2(4) . . . . ?
C33 P1 C19A C20A 59.8(3) . . . . ?
C33 P1 C19A C24A -122.2(3) . . . . ?
C33 P1 C19B C20B 81.4(16) . . . . ?
C33 P1 C19B C24B -97.9(18) . . . . ?
C33 P1 C26 C27 25.2(4) . . . . ?
C33 P1 C26 C31 -160.1(3) . . . . ?
C33 C34 C35 C36 -0.3(7) . . . . ?
C34 C33 C38 C37 0.9(5) . . . . ?
C34 C35 C36 C37 0.5(7) . . . . ?
C34 C35 C36 C39 -179.6(5) . . . . ?
C35 C36 C37 C38 0.0(6) . . . . ?
C36 C37 C38 C33 -0.7(5) . . . . ?
C38 C33 C34 C35 -0.4(6) . . . . ?
C39 C36 C37 C38 -179.9(4) . . . . ?
C41 C42 C43 C44 3(2) . . . . ?
C42 C41 C46 C45 0(3) . . . . ?
C42 C43 C44 C45 -5(3) . . . . ?
C43 C44 C45 C46 4(3) . . . . ?
C44 C45 C46 C41 -2(3) . . . . ?
C46 C41 C42 C43 -1(3) . . . . ?
C47 C41 C42 C43 178.6(15) . . . . ?
C47 C41 C46 C45 -179.2(15) . . . . ?

_olex2_date_sample_data_collection 2016-04-16
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.714
_oxdiff_exptl_absorpt_empirical_full_min 0.700
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_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.
;
_shelxl_version_number           2014-3
