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

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

data_shen13
_database_code_depnum_ccdc_archive 'CCDC 2158225'
loop_
_audit_author_name
_audit_author_address
'Khalil Abboud'
;University of Florida
United States of America
;

_audit_update_record             
;
2022-10-06 deposited with the CCDC.	2022-11-15 downloaded from the CCDC.
;
# publcif _publ_body_element loop end

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H24 Au2 N6 P2'
_chemical_formula_weight         924.42

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

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

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

_cell_length_a                   17.3378(7)
_cell_length_b                   13.2670(5)
_cell_length_c                   12.2141(4)
_cell_angle_alpha                90
_cell_angle_beta                 97.1990(10)
_cell_angle_gamma                90
_cell_volume                     2787.35(18)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9878
_cell_measurement_theta_min      2.37
_cell_measurement_theta_max      32.83

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      .

_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.203
_exptl_crystal_F_000             1736

_exptl_transmission_factor_min   0.2174
_exptl_transmission_factor_max   0.3841

_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    10.662
_shelx_estimated_absorpt_T_min   0.224
_shelx_estimated_absorpt_T_max   0.567

_exptl_absorpt_correction_type   multi-scan

_exptl_absorpt_correction_T_min  0.1812
_exptl_absorpt_correction_T_max  0.4213
_exptl_absorpt_process_details   
'Sheldrick, G. M., sadabs (2015). Acta Cryst. C71, 3-8.'


_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'micro source 3.0'
_diffrn_measurement_device_type  'D8 Venture with PHOTON III'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?

_diffrn_reflns_number            40363
_diffrn_reflns_av_unetI/netI     0.0337
_diffrn_reflns_av_R_equivalents  0.0437
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         1.939
_diffrn_reflns_theta_max         33.208
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.913
_diffrn_measured_fraction_theta_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.913
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.913
_diffrn_reflns_point_group_measured_fraction_full 0.983
_reflns_number_total             4885
_reflns_number_gt                4288
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX3 (Bruker, 2019)'
_computing_cell_refinement       'Bruker APEX3 (Bruker, 2019)'
_computing_data_reduction        'Bruker Apex3 SAINT (Bruker, 2019)'
_computing_structure_solution    'SHELXS2015, Sheldrick G. M. 2019'
_computing_structure_refinement  'SHELXL2015, Sheldrick G. M. 2019'
_computing_molecular_graphics    'XP in SHELXTL-plus, Bruker 2019'
_computing_publication_material  'SHELXL2015, Sheldrick, G. M. 2019'


_refine_special_details          
;
All H atoms were positioned geometrically ( C---H = 0.93/1.00 Å) and   
allowed to ride with Uiso(H)= 1.2/1.5Ueq(C).
Methyl ones were allowed to rotate around the corresponding C---C.

 The structure is that of and Au2 dimer with only the azide is disordered and
 refined in two positions.  The dimers are located on inversion centers.  

;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0222P)²+7.8481P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap


_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr

_refine_ls_extinction_method     none
_refine_ls_extinction_expression .
_refine_ls_number_reflns         4885
_refine_ls_number_parameters     183
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0324
_refine_ls_R_factor_gt           0.0283
_refine_ls_wR_factor_ref         0.0640
_refine_ls_wR_factor_gt          0.0621
_refine_ls_goodness_of_fit_ref   1.142
_refine_ls_restrained_S_all      1.142
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au Au 0.08086(2) 0.75261(2) 1.18729(2) 0.02228(6) Uani 1 1 d . . . . .
P1 P 0.17230(4) 0.85299(5) 1.27416(5) 0.02002(13) Uani 1 1 d . . . . .
N1 N -0.03399(15) 0.6710(2) 1.0240(2) 0.0337(5) Uani 1 1 d . . . . .
N2 N -0.00105(16) 0.6554(2) 1.1117(2) 0.0338(5) Uani 1 1 d . . . . .
N3 N -0.0685(2) 0.6794(4) 0.9381(3) 0.0672(12) Uani 1 1 d . . . . .
C1 C 0.21536(15) 0.79695(18) 1.4034(2) 0.0204(4) Uani 1 1 d . . . . .
C2 C 0.21838(16) 0.69198(19) 1.4110(2) 0.0235(5) Uani 1 1 d . . . . .
H2A H 0.196581 0.652131 1.350275 0.028 Uiso 1 1 calc R U . . .
C3 C 0.25290(15) 0.6453(2) 1.5064(2) 0.0245(5) Uani 1 1 d . . . . .
H3A H 0.254969 0.573835 1.510334 0.029 Uiso 1 1 calc R U . . .
C11 C 0.13619(15) 0.97484(18) 1.3105(2) 0.0231(5) Uani 1 1 d . . . . .
C12 C 0.0930(2) 0.9831(2) 1.3988(3) 0.0375(7) Uani 1 1 d . . . . .
H12A H 0.083748 0.925336 1.441341 0.045 Uiso 1 1 calc R U . . .
C13 C 0.0633(2) 1.0768(3) 1.4244(4) 0.0468(9) Uani 1 1 d . . . . .
H13A H 0.034443 1.082802 1.485264 0.056 Uiso 1 1 calc R U . . .
C14 C 0.07555(18) 1.1607(2) 1.3625(3) 0.0408(8) Uani 1 1 d . . . . .
H14A H 0.054381 1.223897 1.379840 0.049 Uiso 1 1 calc R U . . .
C15 C 0.11825(19) 1.1528(2) 1.2760(3) 0.0381(7) Uani 1 1 d . . . . .
H15A H 0.127346 1.211025 1.234156 0.046 Uiso 1 1 calc R U . . .
C16 C 0.14842(18) 1.0604(2) 1.2487(3) 0.0305(6) Uani 1 1 d . . . . .
H16A H 0.177392 1.055474 1.187804 0.037 Uiso 1 1 calc R U . . .
C21 C 0.25285(15) 0.88233(18) 1.1976(2) 0.0228(5) Uani 1 1 d . . . . .
C22 C 0.24820(17) 0.8590(2) 1.0858(2) 0.0271(5) Uani 1 1 d . . . . .
H22A H 0.203827 0.825213 1.049748 0.033 Uiso 1 1 calc R U . . .
C23 C 0.30927(19) 0.8858(2) 1.0271(3) 0.0328(6) Uani 1 1 d . . . . .
H23A H 0.306060 0.870202 0.950720 0.039 Uiso 1 1 calc R U . . .
C24 C 0.37391(18) 0.9344(2) 1.0784(3) 0.0339(6) Uani 1 1 d . . . . .
H24A H 0.414936 0.952493 1.037466 0.041 Uiso 1 1 calc R U . . .
C25 C 0.37926(17) 0.9570(2) 1.1901(3) 0.0331(6) Uani 1 1 d . . . . .
H25A H 0.424173 0.990081 1.225635 0.040 Uiso 1 1 calc R U . . .
C26 C 0.31905(16) 0.9314(2) 1.2500(2) 0.0278(5) Uani 1 1 d . . . . .
H26A H 0.322725 0.947203 1.326320 0.033 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
Au N2 2.051(2) . ?
Au P1 2.2341(7) . ?
Au Au 3.3594(2) 2_557 ?
P1 C11 1.809(3) . ?
P1 C21 1.818(3) . ?
P1 C1 1.818(3) . ?
N1 N3 1.146(4) . ?
N1 N2 1.168(4) . ?
C1 C2 1.396(4) . ?
C1 C3 1.397(3) 7_568 ?
C2 C3 1.387(4) . ?
C2 H2A 0.9500 . ?
C3 H3A 0.9500 . ?
C11 C12 1.393(4) . ?
C11 C16 1.394(4) . ?
C12 C13 1.396(4) . ?
C12 H12A 0.9500 . ?
C13 C14 1.377(5) . ?
C13 H13A 0.9500 . ?
C14 C15 1.368(5) . ?
C14 H14A 0.9500 . ?
C15 C16 1.390(4) . ?
C15 H15A 0.9500 . ?
C16 H16A 0.9500 . ?
C21 C22 1.392(4) . ?
C21 C26 1.403(4) . ?
C22 C23 1.397(4) . ?
C22 H22A 0.9500 . ?
C23 C24 1.374(5) . ?
C23 H23A 0.9500 . ?
C24 C25 1.389(5) . ?
C24 H24A 0.9500 . ?
C25 C26 1.390(4) . ?
C25 H25A 0.9500 . ?
C26 H26A 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Au P1 177.52(8) . . ?
N2 Au Au 68.57(8) . 2_557 ?
P1 Au Au 111.504(17) . 2_557 ?
C11 P1 C21 104.29(12) . . ?
C11 P1 C1 105.64(12) . . ?
C21 P1 C1 106.02(12) . . ?
C11 P1 Au 113.74(9) . . ?
C21 P1 Au 115.36(9) . . ?
C1 P1 Au 110.99(8) . . ?
N3 N1 N2 175.1(4) . . ?
N1 N2 Au 122.2(2) . . ?
C2 C1 C3 119.1(2) . 7_568 ?
C2 C1 P1 118.27(18) . . ?
C3 C1 P1 122.61(19) 7_568 . ?
C3 C2 C1 120.7(2) . . ?
C3 C2 H2A 119.7 . . ?
C1 C2 H2A 119.7 . . ?
C2 C3 C1 120.2(2) . 7_568 ?
C2 C3 H3A 119.9 . . ?
C1 C3 H3A 119.9 7_568 . ?
C12 C11 C16 119.3(3) . . ?
C12 C11 P1 119.8(2) . . ?
C16 C11 P1 120.9(2) . . ?
C11 C12 C13 119.5(3) . . ?
C11 C12 H12A 120.3 . . ?
C13 C12 H12A 120.3 . . ?
C14 C13 C12 120.7(3) . . ?
C14 C13 H13A 119.6 . . ?
C12 C13 H13A 119.6 . . ?
C15 C14 C13 119.9(3) . . ?
C15 C14 H14A 120.1 . . ?
C13 C14 H14A 120.1 . . ?
C14 C15 C16 120.6(3) . . ?
C14 C15 H15A 119.7 . . ?
C16 C15 H15A 119.7 . . ?
C15 C16 C11 120.0(3) . . ?
C15 C16 H16A 120.0 . . ?
C11 C16 H16A 120.0 . . ?
C22 C21 C26 119.6(2) . . ?
C22 C21 P1 120.2(2) . . ?
C26 C21 P1 120.1(2) . . ?
C21 C22 C23 119.5(3) . . ?
C21 C22 H22A 120.2 . . ?
C23 C22 H22A 120.2 . . ?
C24 C23 C22 120.8(3) . . ?
C24 C23 H23A 119.6 . . ?
C22 C23 H23A 119.6 . . ?
C23 C24 C25 120.0(3) . . ?
C23 C24 H24A 120.0 . . ?
C25 C24 H24A 120.0 . . ?
C24 C25 C26 120.1(3) . . ?
C24 C25 H25A 119.9 . . ?
C26 C25 H25A 119.9 . . ?
C25 C26 C21 119.9(3) . . ?
C25 C26 H26A 120.0 . . ?
C21 C26 H26A 120.0 . . ?

_refine_diff_density_max         1.052
_refine_diff_density_min         -1.812
_refine_diff_density_rms         0.262





_publcif_funding_html            
;
;
####################################################################### 
# 
# 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_shen14
_database_code_depnum_ccdc_archive 'CCDC 2158226'
loop_
_audit_author_name
_audit_author_address
'Khalil Abboud'
;University of Florida
United States of America
;
# end Validation Reply Form
_audit_update_record             
;
2022-10-06 deposited with the CCDC.	2022-11-15 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT201_shen14              
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) ....... 44 Report

RESPONSE: Partial disordered atoms are refined with isotropic displacement
parameers
;
_vrf_PLAT973_shen14              
;
PROBLEM: Check Calcd Positive Resid. Density on Au3 2.27 eA-3
RESPONSE: This electron density peaks has no chemical significance.
;
_vrf_PLAT220_shen14              
;
PROBLEM: NonSolvent Resd 1 C Ueq(max)/Ueq(min) Range 7.3 Ratio 
RESPONSE: This electron density peaks has no chemical significance.
;
_vrf_PLAT934_shen14              
;
PROBLEM: Number of (Iobs-Icalc)/Sigma(W) > 10 Outliers .. 7 Check
RESPONSE: The best model is used for the final refinement.
;
# publcif _publ_body_element loop end

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C105 H76 Au4 Cl4 N4 O0.25 P4'
_chemical_formula_weight         2451.24

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   17.554(2)
_cell_length_b                   33.635(5)
_cell_length_c                   18.811(3)
_cell_angle_alpha                90
_cell_angle_beta                 94.532(2)
_cell_angle_gamma                90
_cell_volume                     11072(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9955
_cell_measurement_theta_min      2.16
_cell_measurement_theta_max      24.18

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow

_exptl_crystal_density_meas      .

_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.471
_exptl_crystal_F_000             4720
_exptl_transmission_factor_min   0.2702
_exptl_transmission_factor_max   0.4296
_exptl_crystal_size_max          0.469
_exptl_crystal_size_mid          0.317
_exptl_crystal_size_min          0.174
_exptl_absorpt_coefficient_mu    5.480
_shelx_estimated_absorpt_T_min   0.183
_shelx_estimated_absorpt_T_max   0.449

_exptl_absorpt_correction_type   multi-scan

_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?

_exptl_absorpt_process_details   
'Sheldrick, G. M., sadabs (2015). Acta Cryst. C71, 3-8.'

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'micro source 3.0'
_diffrn_measurement_device_type  'D8 Venture with PHOTON III'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?

_diffrn_reflns_number            70789
_diffrn_reflns_av_unetI/netI     0.0985
_diffrn_reflns_av_R_equivalents  0.0886
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -42
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         1.949
_diffrn_reflns_theta_max         26.547
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             22883
_reflns_number_gt                13770
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX3 (Bruker, 2014)'
_computing_cell_refinement       'Bruker APEX3 (Bruker, 2014)'
_computing_data_reduction        'Bruker Apex3 SAINT (Bruker, 2014)'
_computing_structure_solution    'SHELXS2015, Sheldrick G. M. 2015'
_computing_structure_refinement  'SHELXL2015, Sheldrick G. M. 2015'
_computing_molecular_graphics    'XP in SHELXTL-plus, Bruker 2014'
_computing_publication_material  'SHELXL2015, Sheldrick, G. M. 2015'

_refine_special_details          
;
All H atoms were positioned geometrically ( C---H = 0.93/1.00 Å) and   
allowed to ride with Uiso(H)= 1.2/1.5Ueq(C).
Methyl ones were allowed to rotate around the corresponding C---C. 

The crystal started deteriorating toward the end of data collection. We
 identified where the deterioration started and integrated up to that frame;
 ignoring all frames after the crystal started deteriorating. The redundancy
 was still over four.  The asymmetric unit consists of the Au4 complex and seven
 dichloromethane solvent molecules.  The dichloromethane molecules were
 disordered and could not be modeled properly, thus program SQUEEZE, a part of
 the PLATON (Spek A.L. 2015) package of crystallographic software, was used to
 calculate the solvent disorder area and remove its contribution to the overall
 intensity data.  The molecules exhibit significant disorder in six of the
 twelve phenyl ring.  Each phenyl ring disorder was refined in two parts with
 their site occupation factors adding up 10 one.  These disorders and the
 solvent disorder contribute significantly to the overall R-values.  The SQEEZE
 parameters are as follows:  Total potential solvent accessible void is 3189A3,
 and the electron count voids/cell is 1181 electrons. 

;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap

_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         22883
_refine_ls_number_parameters     668
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.1588
_refine_ls_R_factor_gt           0.0979
_refine_ls_wR_factor_ref         0.2689
_refine_ls_wR_factor_gt          0.2472
_refine_ls_goodness_of_fit_ref   1.476
_refine_ls_restrained_S_all      1.476
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 1.07676(3) 0.74094(2) 0.25601(3) 0.04184(17) Uani 1 1 d . . . . .
Au2 Au 0.29961(3) 0.53854(2) 0.02391(3) 0.04764(19) Uani 1 1 d . . . . .
Au3 Au 0.48191(4) 0.67480(2) 0.73420(3) 0.0533(2) Uani 1 1 d . . . . .
Au4 Au 0.40557(5) 0.96347(2) 0.14079(5) 0.0829(3) Uani 1 1 d . . . . .
P1 P 1.20507(19) 0.74851(11) 0.26666(19) 0.0372(9) Uani 1 1 d . . . . .
P2 P 0.2261(2) 0.48948(13) -0.0273(2) 0.0502(10) Uani 1 1 d . . . . .
P3 P 0.4593(2) 0.65525(13) 0.8460(2) 0.0481(10) Uani 1 1 d D . . . .
P4 P 0.3553(4) 1.02391(16) 0.1139(3) 0.0908(19) Uani 1 1 d D . . . .
C1 C 0.5708(7) 0.7220(5) 0.2804(7) 0.044(4) Uani 1 1 d . . . . .
C2 C 0.6594(7) 0.7193(4) 0.2679(7) 0.040(3) Uani 1 1 d . . . . .
C3 C 0.7073(8) 0.7502(4) 0.3011(9) 0.052(4) Uani 1 1 d . . . . .
H3A H 0.685608 0.771114 0.326687 0.063 Uiso 1 1 calc R U . . .
C4 C 0.7829(8) 0.7487(5) 0.2953(9) 0.055(4) Uani 1 1 d . . . . .
H4A H 0.813916 0.768928 0.317906 0.066 Uiso 1 1 calc R U . . .
C5 C 0.8182(8) 0.7194(4) 0.2582(8) 0.045(4) Uani 1 1 d . . . . .
C6 C 0.7712(8) 0.6903(5) 0.2257(9) 0.056(4) Uani 1 1 d . . . . .
H6A H 0.793683 0.669806 0.199631 0.067 Uiso 1 1 calc R U . . .
C7 C 0.6937(8) 0.6903(5) 0.2299(9) 0.051(4) Uani 1 1 d . . . . .
H7A H 0.663344 0.670081 0.206362 0.061 Uiso 1 1 calc R U . . .
C8 C 0.8979(8) 0.7215(5) 0.2522(8) 0.049(4) Uani 1 1 d . . . . .
C9 C 0.9665(8) 0.7286(4) 0.2483(7) 0.043(3) Uiso 1 1 d . . . . .
C10 C 1.2478(5) 0.7043(2) 0.3107(4) 0.035(3) Uani 1 1 d G . . . .
C11 C 1.2941(5) 0.6784(3) 0.2758(4) 0.049(4) Uani 1 1 d G . . . .
H11A H 1.305210 0.683704 0.228117 0.059 Uiso 1 1 calc R U . . .
C12 C 1.3241(5) 0.6448(3) 0.3107(6) 0.059(4) Uani 1 1 d G . . . .
H12A H 1.355703 0.627105 0.286848 0.070 Uiso 1 1 calc R U . . .
C13 C 1.3078(6) 0.6370(3) 0.3805(6) 0.058(4) Uani 1 1 d G . . . .
H13A H 1.328256 0.614042 0.404305 0.070 Uiso 1 1 calc R U . . .
C14 C 1.2615(6) 0.6629(3) 0.4153(4) 0.068(5) Uani 1 1 d G . . . .
H14A H 1.250314 0.657579 0.463033 0.081 Uiso 1 1 calc R U . . .
C15 C 1.2315(5) 0.6965(3) 0.3805(4) 0.044(4) Uani 1 1 d G . . . .
H15A H 1.199821 0.714178 0.404304 0.052 Uiso 1 1 calc R U . . .
C16 C 1.2411(11) 0.7884(4) 0.3235(9) 0.049(3) Uiso 0.75 1 d G . P A 1
C17 C 1.3104(11) 0.7852(4) 0.3643(11) 0.049(3) Uiso 0.75 1 d G . P A 1
H17A H 1.337917 0.760864 0.365279 0.058 Uiso 0.75 1 calc R U P A 1
C18 C 1.3393(8) 0.8176(5) 0.4036(9) 0.049(3) Uiso 0.75 1 d G . P A 1
H18A H 1.386705 0.815369 0.431457 0.058 Uiso 0.75 1 calc R U P A 1
C19 C 1.2990(8) 0.8532(4) 0.4022(7) 0.049(3) Uiso 0.75 1 d G . P A 1
H19A H 1.318828 0.875293 0.429021 0.058 Uiso 0.75 1 calc R U P A 1
C20 C 1.2297(7) 0.8564(4) 0.3614(8) 0.049(3) Uiso 0.75 1 d G . P A 1
H20A H 1.202162 0.880713 0.360408 0.058 Uiso 0.75 1 calc R U P A 1
C21 C 1.2007(7) 0.8240(4) 0.3221(7) 0.049(3) Uiso 0.75 1 d G . P A 1
H21A H 1.153373 0.826209 0.294229 0.058 Uiso 0.75 1 calc R U P A 1
C16' C 1.245(3) 0.7939(10) 0.317(2) 0.037(7) Uiso 0.25 1 d G . P A 2
C17' C 1.306(3) 0.7908(10) 0.368(3) 0.037(7) Uiso 0.25 1 d G . P A 2
H17B H 1.327229 0.765488 0.380859 0.045 Uiso 0.25 1 calc R U P A 2
C18' C 1.337(2) 0.8248(13) 0.401(2) 0.037(7) Uiso 0.25 1 d G . P A 2
H18B H 1.378866 0.822747 0.436481 0.045 Uiso 0.25 1 calc R U P A 2
C19' C 1.307(2) 0.8619(11) 0.3832(19) 0.037(7) Uiso 0.25 1 d G . P A 2
H19B H 1.327480 0.885183 0.405747 0.045 Uiso 0.25 1 calc R U P A 2
C20' C 1.245(2) 0.8650(9) 0.332(2) 0.037(7) Uiso 0.25 1 d G . P A 2
H20B H 1.224457 0.890360 0.319390 0.045 Uiso 0.25 1 calc R U P A 2
C21' C 1.215(2) 0.8310(12) 0.2988(18) 0.037(7) Uiso 0.25 1 d G . P A 2
H21B H 1.172819 0.833102 0.263767 0.045 Uiso 0.25 1 calc R U P A 2
C22 C 1.2488(5) 0.7543(3) 0.1825(4) 0.034(3) Uani 1 1 d G . . . .
C23 C 1.3156(5) 0.7758(3) 0.1764(4) 0.046(4) Uani 1 1 d G . . . .
H23A H 1.340569 0.788166 0.217247 0.055 Uiso 1 1 calc R U . . .
C24 C 1.3459(4) 0.7791(3) 0.1106(5) 0.057(4) Uani 1 1 d G . . . .
H24A H 1.391499 0.793823 0.106432 0.068 Uiso 1 1 calc R U . . .
C25 C 1.3093(5) 0.7610(3) 0.0509(4) 0.053(4) Uani 1 1 d G . . . .
H25A H 1.329999 0.763277 0.005890 0.063 Uiso 1 1 calc R U . . .
C26 C 1.2425(5) 0.7395(3) 0.0570(4) 0.051(4) Uani 1 1 d G . . . .
H26A H 1.217568 0.727073 0.016163 0.062 Uiso 1 1 calc R U . . .
C27 C 1.2123(4) 0.7361(3) 0.1228(5) 0.054(4) Uani 1 1 d G . . . .
H27A H 1.166637 0.721415 0.126977 0.064 Uiso 1 1 calc R U . . .
C28 C 0.5271(7) 0.6910(4) 0.2332(6) 0.025(3) Uiso 1 1 d . . . . .
C29 C 0.5349(7) 0.6515(5) 0.2516(6) 0.040(4) Uani 1 1 d . . . . .
H29A H 0.569173 0.643778 0.290717 0.048 Uiso 1 1 calc R U . . .
C30 C 0.4914(7) 0.6225(4) 0.2119(7) 0.037(3) Uani 1 1 d . . . . .
H30A H 0.496674 0.595270 0.224958 0.044 Uiso 1 1 calc R U . . .
C31 C 0.4412(7) 0.6331(4) 0.1541(7) 0.034(3) Uani 1 1 d . . . . .
C32 C 0.4325(7) 0.6731(4) 0.1370(7) 0.038(3) Uani 1 1 d . . . . .
H32A H 0.397432 0.681508 0.098985 0.045 Uiso 1 1 calc R U . . .
C33 C 0.4772(7) 0.7005(4) 0.1777(8) 0.040(3) Uani 1 1 d . . . . .
H33A H 0.471912 0.727839 0.165369 0.048 Uiso 1 1 calc R U . . .
C34 C 0.3984(8) 0.6033(4) 0.1123(7) 0.036(3) Uani 1 1 d . . . . .
C35 C 0.3652(8) 0.5802(5) 0.0763(8) 0.045(4) Uani 1 1 d . . . . .
C36 C 0.2821(5) 0.4465(2) -0.0513(6) 0.046(4) Uani 1 1 d G . . . .
C37 C 0.3568(5) 0.4528(2) -0.0685(6) 0.061(5) Uani 1 1 d G . . . .
H37A H 0.377553 0.478877 -0.066966 0.073 Uiso 1 1 calc R U . . .
C38 C 0.4010(4) 0.4209(3) -0.0879(7) 0.071(5) Uani 1 1 d G . . . .
H38A H 0.451979 0.425165 -0.099648 0.085 Uiso 1 1 calc R U . . .
C39 C 0.3706(5) 0.3827(2) -0.0901(7) 0.069(5) Uani 1 1 d G . . . .
H39A H 0.400785 0.360894 -0.103365 0.083 Uiso 1 1 calc R U . . .
C40 C 0.2959(5) 0.3764(2) -0.0729(6) 0.057(4) Uani 1 1 d G . . . .
H40A H 0.275164 0.350336 -0.074401 0.068 Uiso 1 1 calc R U . . .
C41 C 0.2517(4) 0.4083(3) -0.0535(6) 0.053(4) Uani 1 1 d G . . . .
H41A H 0.200737 0.404047 -0.041719 0.064 Uiso 1 1 calc R U . . .
C42 C 0.1683(11) 0.5013(6) -0.1047(8) 0.072(3) Uiso 0.7 1 d G . P B 1
C43 C 0.1621(12) 0.5407(5) -0.1270(10) 0.072(3) Uiso 0.7 1 d G . P B 1
H43A H 0.188042 0.561036 -0.099777 0.087 Uiso 0.7 1 calc R U P B 1
C44 C 0.1179(12) 0.5502(4) -0.1893(11) 0.072(3) Uiso 0.7 1 d G . P B 1
H44A H 0.113644 0.577101 -0.204553 0.087 Uiso 0.7 1 calc R U P B 1
C45 C 0.0799(10) 0.5204(5) -0.2292(8) 0.072(3) Uiso 0.7 1 d G . P B 1
H45A H 0.049735 0.526946 -0.271690 0.087 Uiso 0.7 1 calc R U P B 1
C46 C 0.0862(10) 0.4811(5) -0.2068(9) 0.072(3) Uiso 0.7 1 d G . P B 1
H46A H 0.060224 0.460725 -0.234053 0.087 Uiso 0.7 1 calc R U P B 1
C47 C 0.1304(11) 0.4715(4) -0.1446(9) 0.072(3) Uiso 0.7 1 d G . P B 1
H47A H 0.134622 0.444659 -0.129277 0.087 Uiso 0.7 1 calc R U P B 1
C42' C 0.177(2) 0.5069(13) -0.1186(16) 0.063(7) Uiso 0.3 1 d G . P B 2
C43' C 0.150(3) 0.5458(12) -0.1221(19) 0.063(7) Uiso 0.3 1 d G . P B 2
H43B H 0.157983 0.562741 -0.081698 0.076 Uiso 0.3 1 calc R U P B 2
C44' C 0.112(3) 0.5600(9) -0.185(2) 0.063(7) Uiso 0.3 1 d G . P B 2
H44B H 0.093943 0.586562 -0.186970 0.076 Uiso 0.3 1 calc R U P B 2
C45' C 0.101(2) 0.5352(11) -0.2437(18) 0.063(7) Uiso 0.3 1 d G . P B 2
H45B H 0.074939 0.544893 -0.286401 0.076 Uiso 0.3 1 calc R U P B 2
C46' C 0.128(2) 0.4963(10) -0.2402(17) 0.063(7) Uiso 0.3 1 d G . P B 2
H46B H 0.119974 0.479402 -0.280561 0.076 Uiso 0.3 1 calc R U P B 2
C47' C 0.166(2) 0.4822(9) -0.178(2) 0.063(7) Uiso 0.3 1 d G . P B 2
H47B H 0.184015 0.455580 -0.175290 0.076 Uiso 0.3 1 calc R U P B 2
C48 C 0.1643(8) 0.4710(4) 0.0381(7) 0.059(2) Uiso 0.75 1 d DG . P B -1
C49 C 0.1952(6) 0.4660(4) 0.1078(8) 0.059(2) Uiso 0.75 1 d G . P B -1
H49A H 0.246941 0.472976 0.120430 0.071 Uiso 0.75 1 calc R U P B -1
C50 C 0.1504(8) 0.4508(5) 0.1592(6) 0.059(2) Uiso 0.75 1 d G . P B -1
H50A H 0.171527 0.447391 0.206843 0.071 Uiso 0.75 1 calc R U P B -1
C51 C 0.0747(8) 0.4406(4) 0.1407(7) 0.059(2) Uiso 0.75 1 d G . P B -1
H51A H 0.044066 0.430179 0.175820 0.071 Uiso 0.75 1 calc R U P B -1
C52 C 0.0438(6) 0.4455(4) 0.0710(7) 0.059(2) Uiso 0.75 1 d G . P B -1
H52A H -0.007982 0.438551 0.058382 0.071 Uiso 0.75 1 calc R U P B -1
C53 C 0.0886(8) 0.4607(4) 0.0196(6) 0.059(2) Uiso 0.75 1 d G . P B -1
H53A H 0.067430 0.464136 -0.028033 0.071 Uiso 0.75 1 calc R U P B -1
C48' C 0.163(3) 0.4715(5) 0.027(3) 0.098(12) Uiso 0.25 1 d DG . P B -2
C49' C 0.174(3) 0.4620(15) 0.099(4) 0.098(12) Uiso 0.25 1 d G . P B -2
H49B H 0.224607 0.460828 0.121746 0.118 Uiso 0.25 1 calc R U P B -2
C50' C 0.112(4) 0.4541(19) 0.138(3) 0.098(12) Uiso 0.25 1 d G . P B -2
H50B H 0.119777 0.447581 0.187521 0.118 Uiso 0.25 1 calc R U P B -2
C51' C 0.038(3) 0.4558(17) 0.105(3) 0.098(12) Uiso 0.25 1 d G . P B -2
H51B H -0.004259 0.450385 0.132170 0.118 Uiso 0.25 1 calc R U P B -2
C52' C 0.027(3) 0.4653(18) 0.034(3) 0.098(12) Uiso 0.25 1 d G . P B -2
H52B H -0.023467 0.466437 0.011045 0.118 Uiso 0.25 1 calc R U P B -2
C53' C 0.089(4) 0.4732(14) -0.006(3) 0.098(12) Uiso 0.25 1 d G . P B -2
H53B H 0.081362 0.479684 -0.054731 0.118 Uiso 0.25 1 calc R U P B -2
C54 C 0.5595(7) 0.7120(4) 0.3602(7) 0.030(3) Uani 1 1 d . . . . .
C55 C 0.6160(8) 0.7065(5) 0.4110(8) 0.051(4) Uani 1 1 d . . . . .
H55A H 0.667590 0.708299 0.399316 0.062 Uiso 1 1 calc R U . . .
C56 C 0.6008(9) 0.6985(5) 0.4790(8) 0.051(4) Uani 1 1 d . . . . .
H56A H 0.641989 0.693546 0.513682 0.062 Uiso 1 1 calc R U . . .
C57 C 0.5260(8) 0.6974(4) 0.4993(6) 0.039(3) Uani 1 1 d . . . . .
C58 C 0.4647(8) 0.7023(4) 0.4470(8) 0.045(4) Uani 1 1 d . . . . .
H58A H 0.412949 0.701359 0.458394 0.054 Uiso 1 1 calc R U . . .
C59 C 0.4843(7) 0.7088(4) 0.3778(8) 0.041(3) Uani 1 1 d . . . . .
H59A H 0.444437 0.711079 0.340839 0.049 Uiso 1 1 calc R U . . .
C60 C 0.5108(9) 0.6906(5) 0.5709(9) 0.057(4) Uani 1 1 d . . . . .
C61 C 0.4973(11) 0.6859(5) 0.6332(8) 0.061(5) Uani 1 1 d . . . . .
C62 C 0.5054(10) 0.6896(5) 0.9108(8) 0.077(3) Uiso 0.85 1 d DG . P C 1
C63 C 0.5742(10) 0.6792(3) 0.9477(9) 0.077(3) Uiso 0.85 1 d G . P C 1
H63A H 0.594777 0.653374 0.942220 0.093 Uiso 0.85 1 calc R U P C 1
C64 C 0.6128(7) 0.7066(4) 0.9927(8) 0.077(3) Uiso 0.85 1 d G . P C 1
H64A H 0.659834 0.699428 1.017941 0.093 Uiso 0.85 1 calc R U P C 1
C65 C 0.5826(9) 0.7444(4) 1.0008(8) 0.077(3) Uiso 0.85 1 d G . P C 1
H65A H 0.609055 0.763056 1.031503 0.093 Uiso 0.85 1 calc R U P C 1
C66 C 0.5138(9) 0.7548(4) 0.9638(9) 0.077(3) Uiso 0.85 1 d G . P C 1
H66A H 0.493220 0.780630 0.969344 0.093 Uiso 0.85 1 calc R U P C 1
C67 C 0.4752(8) 0.7274(5) 0.9189(8) 0.077(3) Uiso 0.85 1 d G . P C 1
H67A H 0.428162 0.734576 0.893622 0.093 Uiso 0.85 1 calc R U P C 1
C62' C 0.503(3) 0.6883(12) 0.914(2) 0.022(8) Uiso 0.15 1 d DG . P C 2
C63' C 0.556(3) 0.6802(8) 0.972(2) 0.022(8) Uiso 0.15 1 d G . P C 2
H63B H 0.571024 0.653623 0.982037 0.027 Uiso 0.15 1 calc R U P C 2
C64' C 0.586(3) 0.7112(12) 1.014(2) 0.022(8) Uiso 0.15 1 d G . P C 2
H64B H 0.621822 0.705692 1.053405 0.027 Uiso 0.15 1 calc R U P C 2
C65' C 0.564(3) 0.7501(10) 0.999(2) 0.022(8) Uiso 0.15 1 d G . P C 2
H65B H 0.584464 0.771271 1.027914 0.027 Uiso 0.15 1 calc R U P C 2
C66' C 0.511(3) 0.7582(10) 0.941(3) 0.022(8) Uiso 0.15 1 d G . P C 2
H66B H 0.496309 0.784781 0.931054 0.027 Uiso 0.15 1 calc R U P C 2
C67' C 0.481(3) 0.7272(14) 0.899(2) 0.022(8) Uiso 0.15 1 d G . P C 2
H67B H 0.445510 0.732712 0.859684 0.027 Uiso 0.15 1 calc R U P C 2
C68 C 0.4958(5) 0.6061(2) 0.8648(5) 0.045(4) Uani 1 1 d G . . . .
C69 C 0.5454(5) 0.5895(3) 0.8189(4) 0.049(4) Uani 1 1 d G . . . .
H69A H 0.560838 0.604429 0.779724 0.059 Uiso 1 1 calc R U . . .
C70 C 0.5723(6) 0.5510(3) 0.8304(6) 0.064(5) Uani 1 1 d G . . . .
H70A H 0.606207 0.539603 0.799106 0.077 Uiso 1 1 calc R U . . .
C71 C 0.5497(7) 0.5291(2) 0.8878(7) 0.076(6) Uani 1 1 d G . . . .
H71A H 0.568088 0.502738 0.895648 0.091 Uiso 1 1 calc R U . . .
C72 C 0.5001(7) 0.5457(3) 0.9336(6) 0.076(6) Uani 1 1 d G . . . .
H72A H 0.484598 0.530699 0.972811 0.091 Uiso 1 1 calc R U . . .
C73 C 0.4731(6) 0.5842(3) 0.9221(5) 0.060(4) Uani 1 1 d G . . . .
H73A H 0.439227 0.595525 0.953431 0.072 Uiso 1 1 calc R U . . .
C74 C 0.3572(5) 0.6522(3) 0.8618(5) 0.052(4) Uani 1 1 d G . . . .
C75 C 0.3327(6) 0.6545(3) 0.9302(4) 0.068(5) Uani 1 1 d G . . . .
H75A H 0.368975 0.657616 0.970076 0.082 Uiso 1 1 calc R U . . .
C76 C 0.2552(7) 0.6524(4) 0.9402(5) 0.071(5) Uani 1 1 d G . . . .
H76A H 0.238505 0.653989 0.986934 0.085 Uiso 1 1 calc R U . . .
C77 C 0.2022(5) 0.6478(3) 0.8819(7) 0.070(5) Uani 1 1 d G . . . .
H77A H 0.149269 0.646370 0.888719 0.084 Uiso 1 1 calc R U . . .
C78 C 0.2267(5) 0.6455(3) 0.8135(6) 0.064(5) Uani 1 1 d G . . . .
H78A H 0.190503 0.642377 0.773645 0.077 Uiso 1 1 calc R U . . .
C79 C 0.3042(6) 0.6476(3) 0.8035(4) 0.053(4) Uani 1 1 d G . . . .
H79A H 0.320973 0.646004 0.756786 0.064 Uiso 1 1 calc R U . . .
C80 C 0.5494(7) 0.7645(4) 0.2593(7) 0.033(3) Uani 1 1 d . . . . .
C81 C 0.5655(7) 0.7806(4) 0.1939(7) 0.039(3) Uani 1 1 d . . . . .
H81A H 0.592385 0.764541 0.162797 0.047 Uiso 1 1 calc R U . . .
C82 C 0.5458(8) 0.8170(4) 0.1723(8) 0.045(4) Uani 1 1 d . . . . .
H82A H 0.560437 0.826678 0.127922 0.054 Uiso 1 1 calc R U . . .
C83 C 0.5036(8) 0.8410(4) 0.2150(9) 0.049(4) Uani 1 1 d . . . . .
C84 C 0.4879(8) 0.8271(4) 0.2816(8) 0.041(3) Uani 1 1 d . . . . .
H84A H 0.461593 0.843671 0.312402 0.049 Uiso 1 1 calc R U . . .
C85 C 0.5105(7) 0.7888(4) 0.3040(8) 0.039(3) Uani 1 1 d . . . . .
H85A H 0.499252 0.779495 0.349692 0.046 Uiso 1 1 calc R U . . .
C86 C 0.4734(8) 0.8798(4) 0.1871(9) 0.047(4) Uani 1 1 d . . . . .
C87 C 0.4465(11) 0.9091(5) 0.1695(12) 0.076(6) Uani 1 1 d . . . . .
C88 C 0.4232(14) 1.0647(8) 0.1326(14) 0.104(5) Uiso 0.6 1 d G . P D 1
C89 C 0.5012(16) 1.0590(6) 0.1292(13) 0.104(5) Uiso 0.6 1 d G . P D 1
H89A H 0.519643 1.035185 0.109609 0.125 Uiso 0.6 1 calc R U P D 1
C90 C 0.5523(11) 1.0883(8) 0.1543(14) 0.104(5) Uiso 0.6 1 d G . P D 1
H90A H 0.605700 1.084477 0.151971 0.125 Uiso 0.6 1 calc R U P D 1
C91 C 0.5254(15) 1.1232(7) 0.1830(13) 0.104(5) Uiso 0.6 1 d G . P D 1
H91A H 0.560335 1.143230 0.200171 0.125 Uiso 0.6 1 calc R U P D 1
C92 C 0.4473(17) 1.1288(7) 0.1864(15) 0.104(5) Uiso 0.6 1 d G . P D 1
H92A H 0.428913 1.152692 0.206009 0.125 Uiso 0.6 1 calc R U P D 1
C93 C 0.3962(12) 1.0996(9) 0.1613(16) 0.104(5) Uiso 0.6 1 d G . P D 1
H93A H 0.342855 1.103400 0.163647 0.125 Uiso 0.6 1 calc R U P D 1
C88' C 0.401(2) 1.0636(14) 0.174(2) 0.118(9) Uiso 0.4 1 d G . P D 2
C89' C 0.461(3) 1.0535(10) 0.223(2) 0.118(9) Uiso 0.4 1 d G . P D 2
H89B H 0.471693 1.026383 0.233315 0.142 Uiso 0.4 1 calc R U P D 2
C90' C 0.505(2) 1.0832(14) 0.257(2) 0.118(9) Uiso 0.4 1 d G . P D 2
H90B H 0.546232 1.076355 0.290600 0.142 Uiso 0.4 1 calc R U P D 2
C91' C 0.489(2) 1.1229(12) 0.242(2) 0.118(9) Uiso 0.4 1 d G . P D 2
H91B H 0.519602 1.143228 0.264904 0.142 Uiso 0.4 1 calc R U P D 2
C92' C 0.429(3) 1.1330(11) 0.192(3) 0.118(9) Uiso 0.4 1 d G . P D 2
H92B H 0.418434 1.160129 0.181924 0.142 Uiso 0.4 1 calc R U P D 2
C93' C 0.385(2) 1.1033(16) 0.158(2) 0.118(9) Uiso 0.4 1 d G . P D 2
H93B H 0.343895 1.110157 0.124639 0.142 Uiso 0.4 1 calc R U P D 2
C94 C 0.3419(17) 1.0345(9) 0.0172(12) 0.125(6) Uiso 0.65 1 d G . P D 1
C95 C 0.3359(16) 1.0034(7) -0.0316(16) 0.125(6) Uiso 0.65 1 d G . P D 1
H95A H 0.335097 0.976671 -0.015176 0.151 Uiso 0.65 1 calc R U P D 1
C96 C 0.3310(15) 1.0113(8) -0.1043(15) 0.125(6) Uiso 0.65 1 d G . P D 1
H96A H 0.326907 0.990060 -0.137608 0.151 Uiso 0.65 1 calc R U P D 1
C97 C 0.3322(15) 1.0504(9) -0.1283(12) 0.125(6) Uiso 0.65 1 d G . P D 1
H97A H 0.328851 1.055830 -0.177974 0.151 Uiso 0.65 1 calc R U P D 1
C98 C 0.3382(15) 1.0815(7) -0.0795(16) 0.125(6) Uiso 0.65 1 d G . P D 1
H98A H 0.338986 1.108212 -0.095909 0.151 Uiso 0.65 1 calc R U P D 1
C99 C 0.3431(16) 1.0736(8) -0.0068(15) 0.125(6) Uiso 0.65 1 d G . P D 1
H99A H 0.347176 1.094824 0.026524 0.151 Uiso 0.65 1 calc R U P D 1
C94' C 0.351(4) 1.0370(18) 0.019(3) 0.160(15) Uiso 0.35 1 d G . P D 2
C95' C 0.411(3) 1.0299(17) -0.023(4) 0.160(15) Uiso 0.35 1 d G . P D 2
H95B H 0.452778 1.013605 -0.005028 0.192 Uiso 0.35 1 calc R U P D 2
C96' C 0.411(3) 1.047(2) -0.090(4) 0.160(15) Uiso 0.35 1 d G . P D 2
H96B H 0.452565 1.041959 -0.118635 0.192 Uiso 0.35 1 calc R U P D 2
C97' C 0.351(4) 1.0707(18) -0.116(3) 0.160(15) Uiso 0.35 1 d G . P D 2
H97B H 0.350499 1.082188 -0.162004 0.192 Uiso 0.35 1 calc R U P D 2
C98' C 0.290(3) 1.0777(17) -0.074(4) 0.160(15) Uiso 0.35 1 d G . P D 2
H98B H 0.248643 1.094063 -0.091765 0.192 Uiso 0.35 1 calc R U P D 2
C99' C 0.290(3) 1.061(2) -0.007(4) 0.160(15) Uiso 0.35 1 d G . P D 2
H99B H 0.248854 1.065710 0.021843 0.192 Uiso 0.35 1 calc R U P D 2
C100 C 0.2687(8) 1.0295(9) 0.1525(10) 0.096(4) Uiso 0.8 1 d DG . P D 1
C101 C 0.2003(11) 1.0275(8) 0.1100(8) 0.096(4) Uiso 0.8 1 d G . P D 1
H10A H 0.200930 1.023795 0.059953 0.115 Uiso 0.8 1 calc R U P D 1
C102 C 0.1311(8) 1.0309(7) 0.1406(10) 0.096(4) Uiso 0.8 1 d G . P D 1
H10B H 0.084434 1.029513 0.111570 0.115 Uiso 0.8 1 calc R U P D 1
C103 C 0.1303(8) 1.0363(7) 0.2138(11) 0.096(4) Uiso 0.8 1 d G . P D 1
H10C H 0.082989 1.038630 0.234775 0.115 Uiso 0.8 1 calc R U P D 1
C104 C 0.1986(11) 1.0383(7) 0.2563(8) 0.096(4) Uiso 0.8 1 d G . P D 1
H10D H 0.198039 1.042027 0.306364 0.115 Uiso 0.8 1 calc R U P D 1
C105 C 0.2678(8) 1.0349(8) 0.2257(10) 0.096(4) Uiso 0.8 1 d G . P D 1
H10E H 0.314536 1.036309 0.254747 0.115 Uiso 0.8 1 calc R U P D 1
C110 C 0.2615(8) 1.029(3) 0.1373(15) 0.075(13) Uiso 0.2 1 d DG . P D 2
C111 C 0.2009(7) 1.026(3) 0.085(2) 0.075(13) Uiso 0.2 1 d DG . P D 2
H11B H 0.210606 1.022023 0.036890 0.090 Uiso 0.2 1 calc R U P D 2
C112 C 0.1261(7) 1.029(2) 0.104(3) 0.075(13) Uiso 0.2 1 d G . P D 2
H11C H 0.084748 1.026666 0.068808 0.090 Uiso 0.2 1 calc R U P D 2
C113 C 0.1120(14) 1.035(2) 0.175(3) 0.075(13) Uiso 0.2 1 d G . P D 2
H11D H 0.060866 1.036449 0.188183 0.090 Uiso 0.2 1 calc R U P D 2
C114 C 0.173(2) 1.038(2) 0.227(3) 0.075(13) Uiso 0.2 1 d G . P D 2
H11E H 0.162842 1.041590 0.275640 0.090 Uiso 0.2 1 calc R U P D 2
C115 C 0.2473(17) 1.035(3) 0.2082(17) 0.075(13) Uiso 0.2 1 d DG . P D 2
H11F H 0.288701 1.036948 0.243723 0.090 Uiso 0.2 1 calc R U P D 2


_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 C9 1.973(14) . ?
Au1 P1 2.260(3) . ?
Au1 Au3 3.2963(10) 4_675 ?
Au2 C35 2.020(16) . ?
Au2 P2 2.263(4) . ?
Au3 C61 1.976(15) . ?
Au3 P3 2.268(4) . ?
Au4 C87 2.023(16) . ?
Au4 P4 2.257(5) . ?
P1 C16 1.799(12) . ?
P1 C22 1.823(7) . ?
P1 C10 1.834(8) . ?
P1 C16' 1.90(3) . ?
P2 C48' 1.68(4) . ?
P2 C42 1.752(14) . ?
P2 C48 1.813(10) . ?
P2 C36 1.825(7) . ?
P2 C42' 1.95(3) . ?
P3 C68 1.798(8) . ?
P3 C62' 1.823(10) . ?
P3 C62 1.823(10) . ?
P3 C74 1.843(9) . ?
P4 C100 1.747(13) . ?
P4 C110 1.747(13) . ?
P4 C88 1.83(2) . ?
P4 C94' 1.83(5) . ?
P4 C94 1.85(2) . ?
P4 C88' 1.88(4) . ?
C1 C80 1.52(2) . ?
C1 C28 1.534(19) . ?
C1 C54 1.567(17) . ?
C1 C2 1.594(17) . ?
C2 C7 1.377(19) . ?
C2 C3 1.45(2) . ?
C3 C4 1.341(19) . ?
C3 H3A 0.9500 . ?
C4 C5 1.38(2) . ?
C4 H4A 0.9500 . ?
C5 C6 1.39(2) . ?
C5 C8 1.416(18) . ?
C6 C7 1.370(19) . ?
C6 H6A 0.9500 . ?
C7 H7A 0.9500 . ?
C8 C9 1.236(19) . ?
C10 C11 1.3900 . ?
C10 C15 1.3900 . ?
C11 C12 1.3900 . ?
C11 H11A 0.9500 . ?
C12 C13 1.3900 . ?
C12 H12A 0.9500 . ?
C13 C14 1.3900 . ?
C13 H13A 0.9500 . ?
C14 C15 1.3900 . ?
C14 H14A 0.9500 . ?
C15 H15A 0.9500 . ?
C16 C17 1.3900 . ?
C16 C21 1.3900 . ?
C17 C18 1.3900 . ?
C17 H17A 0.9500 . ?
C18 C19 1.3900 . ?
C18 H18A 0.9500 . ?
C19 C20 1.3900 . ?
C19 H19A 0.9500 . ?
C20 C21 1.3900 . ?
C20 H20A 0.9500 . ?
C21 H21A 0.9500 . ?
C16' C17' 1.3900 . ?
C16' C21' 1.3900 . ?
C17' C18' 1.3900 . ?
C17' H17B 0.9500 . ?
C18' C19' 1.3900 . ?
C18' H18B 0.9500 . ?
C19' C20' 1.3900 . ?
C19' H19B 0.9500 . ?
C20' C21' 1.3900 . ?
C20' H20B 0.9500 . ?
C21' H21B 0.9500 . ?
C22 C23 1.3900 . ?
C22 C27 1.3900 . ?
C23 C24 1.3900 . ?
C23 H23A 0.9500 . ?
C24 C25 1.3900 . ?
C24 H24A 0.9500 . ?
C25 C26 1.3900 . ?
C25 H25A 0.9500 . ?
C26 C27 1.3900 . ?
C26 H26A 0.9500 . ?
C27 H27A 0.9500 . ?
C28 C33 1.346(18) . ?
C28 C29 1.378(19) . ?
C29 C30 1.415(19) . ?
C29 H29A 0.9500 . ?
C30 C31 1.391(18) . ?
C30 H30A 0.9500 . ?
C31 C32 1.389(19) . ?
C31 C34 1.447(19) . ?
C32 C33 1.400(19) . ?
C32 H32A 0.9500 . ?
C33 H33A 0.9500 . ?
C34 C35 1.157(18) . ?
C36 C37 1.3900 . ?
C36 C41 1.3900 . ?
C37 C38 1.3900 . ?
C37 H37A 0.9500 . ?
C38 C39 1.3900 . ?
C38 H38A 0.9500 . ?
C39 C40 1.3900 . ?
C39 H39A 0.9500 . ?
C40 C41 1.3900 . ?
C40 H40A 0.9500 . ?
C41 H41A 0.9500 . ?
C42 C43 1.3900 . ?
C42 C47 1.3900 . ?
C43 C44 1.3900 . ?
C43 H43A 0.9500 . ?
C44 C45 1.3900 . ?
C44 H44A 0.9500 . ?
C45 C46 1.3900 . ?
C45 H45A 0.9500 . ?
C46 C47 1.3900 . ?
C46 H46A 0.9500 . ?
C47 H47A 0.9500 . ?
C42' C43' 1.3900 . ?
C42' C47' 1.3900 . ?
C43' C44' 1.3900 . ?
C43' H43B 0.9500 . ?
C44' C45' 1.3900 . ?
C44' H44B 0.9500 . ?
C45' C46' 1.3900 . ?
C45' H45B 0.9500 . ?
C46' C47' 1.3900 . ?
C46' H46B 0.9500 . ?
C47' H47B 0.9500 . ?
C48 C49 1.3900 . ?
C48 C53 1.3900 . ?
C49 C50 1.3900 . ?
C49 H49A 0.9500 . ?
C50 C51 1.3900 . ?
C50 H50A 0.9500 . ?
C51 C52 1.3900 . ?
C51 H51A 0.9500 . ?
C52 C53 1.3900 . ?
C52 H52A 0.9500 . ?
C53 H53A 0.9500 . ?
C48' C49' 1.3900 . ?
C48' C53' 1.3900 . ?
C49' C50' 1.3900 . ?
C49' H49B 0.9500 . ?
C50' C51' 1.3900 . ?
C50' H50B 0.9500 . ?
C51' C52' 1.3900 . ?
C51' H51B 0.9500 . ?
C52' C53' 1.3900 . ?
C52' H52B 0.9500 . ?
C53' H53B 0.9500 . ?
C54 C55 1.335(19) . ?
C54 C59 1.391(16) . ?
C55 C56 1.35(2) . ?
C55 H55A 0.9500 . ?
C56 C57 1.40(2) . ?
C56 H56A 0.9500 . ?
C57 C58 1.411(19) . ?
C57 C60 1.41(2) . ?
C58 C59 1.388(19) . ?
C58 H58A 0.9500 . ?
C59 H59A 0.9500 . ?
C60 C61 1.22(2) . ?
C62 C63 1.3900 . ?
C62 C67 1.3900 . ?
C63 C64 1.3900 . ?
C63 H63A 0.9500 . ?
C64 C65 1.3900 . ?
C64 H64A 0.9500 . ?
C65 C66 1.3900 . ?
C65 H65A 0.9500 . ?
C66 C67 1.3900 . ?
C66 H66A 0.9500 . ?
C67 H67A 0.9500 . ?
C62' C63' 1.3900 . ?
C62' C67' 1.3900 . ?
C63' C64' 1.3900 . ?
C63' H63B 0.9500 . ?
C64' C65' 1.3900 . ?
C64' H64B 0.9500 . ?
C65' C66' 1.3900 . ?
C65' H65B 0.9500 . ?
C66' C67' 1.3900 . ?
C66' H66B 0.9500 . ?
C67' H67B 0.9500 . ?
C68 C69 1.3900 . ?
C68 C73 1.3900 . ?
C69 C70 1.3900 . ?
C69 H69A 0.9500 . ?
C70 C71 1.3900 . ?
C70 H70A 0.9500 . ?
C71 C72 1.3900 . ?
C71 H71A 0.9500 . ?
C72 C73 1.3900 . ?
C72 H72A 0.9500 . ?
C73 H73A 0.9500 . ?
C74 C75 1.3900 . ?
C74 C79 1.3900 . ?
C75 C76 1.3900 . ?
C75 H75A 0.9500 . ?
C76 C77 1.3900 . ?
C76 H76A 0.9500 . ?
C77 C78 1.3900 . ?
C77 H77A 0.9500 . ?
C78 C79 1.3900 . ?
C78 H78A 0.9500 . ?
C79 H79A 0.9500 . ?
C80 C85 1.391(17) . ?
C80 C81 1.393(18) . ?
C81 C82 1.327(19) . ?
C81 H81A 0.9500 . ?
C82 C83 1.39(2) . ?
C82 H82A 0.9500 . ?
C83 C84 1.38(2) . ?
C83 C86 1.49(2) . ?
C84 C85 1.403(19) . ?
C84 H84A 0.9500 . ?
C85 H85A 0.9500 . ?
C86 C87 1.13(2) . ?
C88 C89 1.3900 . ?
C88 C93 1.3900 . ?
C89 C90 1.3900 . ?
C89 H89A 0.9500 . ?
C90 C91 1.3900 . ?
C90 H90A 0.9500 . ?
C91 C92 1.3900 . ?
C91 H91A 0.9500 . ?
C92 C93 1.3900 . ?
C92 H92A 0.9500 . ?
C93 H93A 0.9500 . ?
C88' C89' 1.3900 . ?
C88' C93' 1.3900 . ?
C89' C90' 1.3900 . ?
C89' H89B 0.9500 . ?
C90' C91' 1.3900 . ?
C90' H90B 0.9500 . ?
C91' C92' 1.3900 . ?
C91' H91B 0.9500 . ?
C92' C93' 1.3900 . ?
C92' H92B 0.9500 . ?
C93' H93B 0.9500 . ?
C94 C95 1.3900 . ?
C94 C99 1.3900 . ?
C95 C96 1.3900 . ?
C95 H95A 0.9500 . ?
C96 C97 1.3900 . ?
C96 H96A 0.9500 . ?
C97 C98 1.3900 . ?
C97 H97A 0.9500 . ?
C98 C99 1.3900 . ?
C98 H98A 0.9500 . ?
C99 H99A 0.9500 . ?
C94' C95' 1.3900 . ?
C94' C99' 1.3900 . ?
C95' C96' 1.3900 . ?
C95' H95B 0.9500 . ?
C96' C97' 1.3900 . ?
C96' H96B 0.9500 . ?
C97' C98' 1.3900 . ?
C97' H97B 0.9500 . ?
C98' C99' 1.3900 . ?
C98' H98B 0.9500 . ?
C99' H99B 0.9500 . ?
C100 C101 1.3900 . ?
C100 C105 1.3900 . ?
C101 C102 1.3900 . ?
C101 H10A 0.9500 . ?
C102 C103 1.3900 . ?
C102 H10B 0.9500 . ?
C103 C104 1.3900 . ?
C103 H10C 0.9500 . ?
C104 C105 1.3900 . ?
C104 H10D 0.9500 . ?
C105 H10E 0.9500 . ?
C110 C111 1.3900 . ?
C110 C115 1.3900 . ?
C111 C112 1.3900 . ?
C111 H11B 0.9500 . ?
C112 C113 1.3900 . ?
C112 H11C 0.9500 . ?
C113 C114 1.3900 . ?
C113 H11D 0.9500 . ?
C114 C115 1.3900 . ?
C114 H11E 0.9500 . ?
C115 H11F 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C9 Au1 P1 174.2(4) . . ?
C9 Au1 Au3 71.9(4) . 4_675 ?
P1 Au1 Au3 113.84(10) . 4_675 ?
C35 Au2 P2 175.9(4) . . ?
C61 Au3 P3 173.5(5) . . ?
C61 Au3 Au1 81.5(5) . 4_576 ?
P3 Au3 Au1 104.92(11) . 4_576 ?
C87 Au4 P4 176.7(6) . . ?
C16 P1 C22 106.6(7) . . ?
C16 P1 C10 103.0(6) . . ?
C22 P1 C10 107.0(4) . . ?
C22 P1 C16' 100.5(15) . . ?
C10 P1 C16' 107.7(14) . . ?
C16 P1 Au1 115.9(6) . . ?
C22 P1 Au1 114.9(3) . . ?
C10 P1 Au1 108.5(3) . . ?
C16' P1 Au1 117.5(15) . . ?
C42 P2 C48 107.7(9) . . ?
C48' P2 C36 105.1(11) . . ?
C42 P2 C36 105.3(8) . . ?
C48 P2 C36 105.0(6) . . ?
C48' P2 C42' 112(3) . . ?
C36 P2 C42' 103.3(13) . . ?
C48' P2 Au2 112.5(16) . . ?
C42 P2 Au2 117.4(7) . . ?
C48 P2 Au2 108.3(5) . . ?
C36 P2 Au2 112.4(4) . . ?
C42' P2 Au2 110.7(13) . . ?
C68 P3 C62' 107.3(17) . . ?
C68 P3 C62 108.7(7) . . ?
C68 P3 C74 104.6(5) . . ?
C62' P3 C74 106.6(18) . . ?
C62 P3 C74 108.2(7) . . ?
C68 P3 Au3 111.3(3) . . ?
C62' P3 Au3 112.3(16) . . ?
C62 P3 Au3 109.6(6) . . ?
C74 P3 Au3 114.2(4) . . ?
C100 P4 C88 114.4(14) . . ?
C110 P4 C94' 105(3) . . ?
C100 P4 C94 109.9(12) . . ?
C88 P4 C94 94.4(13) . . ?
C110 P4 C88' 98(3) . . ?
C94' P4 C88' 113(2) . . ?
C100 P4 Au4 110.0(10) . . ?
C110 P4 Au4 113(3) . . ?
C88 P4 Au4 113.2(10) . . ?
C94' P4 Au4 115(2) . . ?
C94 P4 Au4 114.2(10) . . ?
C88' P4 Au4 111.4(17) . . ?
C80 C1 C28 112.7(11) . . ?
C80 C1 C54 113.8(11) . . ?
C28 C1 C54 108.3(11) . . ?
C80 C1 C2 103.8(11) . . ?
C28 C1 C2 109.0(11) . . ?
C54 C1 C2 109.1(10) . . ?
C7 C2 C3 118.0(12) . . ?
C7 C2 C1 126.1(13) . . ?
C3 C2 C1 115.9(12) . . ?
C4 C3 C2 119.0(13) . . ?
C4 C3 H3A 120.5 . . ?
C2 C3 H3A 120.5 . . ?
C3 C4 C5 123.5(14) . . ?
C3 C4 H4A 118.2 . . ?
C5 C4 H4A 118.2 . . ?
C4 C5 C6 116.8(13) . . ?
C4 C5 C8 119.3(14) . . ?
C6 C5 C8 123.7(13) . . ?
C7 C6 C5 122.2(14) . . ?
C7 C6 H6A 118.9 . . ?
C5 C6 H6A 118.9 . . ?
C6 C7 C2 120.4(14) . . ?
C6 C7 H7A 119.8 . . ?
C2 C7 H7A 119.8 . . ?
C9 C8 C5 171.7(17) . . ?
C8 C9 Au1 172.3(13) . . ?
C11 C10 C15 120.0 . . ?
C11 C10 P1 121.9(5) . . ?
C15 C10 P1 118.1(5) . . ?
C12 C11 C10 120.0 . . ?
C12 C11 H11A 120.0 . . ?
C10 C11 H11A 120.0 . . ?
C11 C12 C13 120.0 . . ?
C11 C12 H12A 120.0 . . ?
C13 C12 H12A 120.0 . . ?
C12 C13 C14 120.0 . . ?
C12 C13 H13A 120.0 . . ?
C14 C13 H13A 120.0 . . ?
C15 C14 C13 120.0 . . ?
C15 C14 H14A 120.0 . . ?
C13 C14 H14A 120.0 . . ?
C14 C15 C10 120.0 . . ?
C14 C15 H15A 120.0 . . ?
C10 C15 H15A 120.0 . . ?
C17 C16 C21 120.0 . . ?
C17 C16 P1 121.4(10) . . ?
C21 C16 P1 118.5(10) . . ?
C16 C17 C18 120.0 . . ?
C16 C17 H17A 120.0 . . ?
C18 C17 H17A 120.0 . . ?
C19 C18 C17 120.0 . . ?
C19 C18 H18A 120.0 . . ?
C17 C18 H18A 120.0 . . ?
C18 C19 C20 120.0 . . ?
C18 C19 H19A 120.0 . . ?
C20 C19 H19A 120.0 . . ?
C19 C20 C21 120.0 . . ?
C19 C20 H20A 120.0 . . ?
C21 C20 H20A 120.0 . . ?
C20 C21 C16 120.0 . . ?
C20 C21 H21A 120.0 . . ?
C16 C21 H21A 120.0 . . ?
C17' C16' C21' 120.0 . . ?
C17' C16' P1 121(2) . . ?
C21' C16' P1 118(2) . . ?
C18' C17' C16' 120.0 . . ?
C18' C17' H17B 120.0 . . ?
C16' C17' H17B 120.0 . . ?
C19' C18' C17' 120.0 . . ?
C19' C18' H18B 120.0 . . ?
C17' C18' H18B 120.0 . . ?
C18' C19' C20' 120.0 . . ?
C18' C19' H19B 120.0 . . ?
C20' C19' H19B 120.0 . . ?
C19' C20' C21' 120.0 . . ?
C19' C20' H20B 120.0 . . ?
C21' C20' H20B 120.0 . . ?
C20' C21' C16' 120.0 . . ?
C20' C21' H21B 120.0 . . ?
C16' C21' H21B 120.0 . . ?
C23 C22 C27 120.0 . . ?
C23 C22 P1 122.9(5) . . ?
C27 C22 P1 117.1(5) . . ?
C22 C23 C24 120.0 . . ?
C22 C23 H23A 120.0 . . ?
C24 C23 H23A 120.0 . . ?
C23 C24 C25 120.0 . . ?
C23 C24 H24A 120.0 . . ?
C25 C24 H24A 120.0 . . ?
C26 C25 C24 120.0 . . ?
C26 C25 H25A 120.0 . . ?
C24 C25 H25A 120.0 . . ?
C25 C26 C27 120.0 . . ?
C25 C26 H26A 120.0 . . ?
C27 C26 H26A 120.0 . . ?
C26 C27 C22 120.0 . . ?
C26 C27 H27A 120.0 . . ?
C22 C27 H27A 120.0 . . ?
C33 C28 C29 118.0(12) . . ?
C33 C28 C1 123.5(12) . . ?
C29 C28 C1 118.3(11) . . ?
C28 C29 C30 119.7(12) . . ?
C28 C29 H29A 120.2 . . ?
C30 C29 H29A 120.2 . . ?
C31 C30 C29 121.2(13) . . ?
C31 C30 H30A 119.4 . . ?
C29 C30 H30A 119.4 . . ?
C32 C31 C30 118.7(12) . . ?
C32 C31 C34 120.2(12) . . ?
C30 C31 C34 121.1(13) . . ?
C31 C32 C33 117.8(13) . . ?
C31 C32 H32A 121.1 . . ?
C33 C32 H32A 121.1 . . ?
C28 C33 C32 124.7(13) . . ?
C28 C33 H33A 117.7 . . ?
C32 C33 H33A 117.7 . . ?
C35 C34 C31 177.1(15) . . ?
C34 C35 Au2 172.9(12) . . ?
C37 C36 C41 120.0 . . ?
C37 C36 P2 118.3(5) . . ?
C41 C36 P2 121.7(5) . . ?
C38 C37 C36 120.0 . . ?
C38 C37 H37A 120.0 . . ?
C36 C37 H37A 120.0 . . ?
C37 C38 C39 120.0 . . ?
C37 C38 H38A 120.0 . . ?
C39 C38 H38A 120.0 . . ?
C40 C39 C38 120.0 . . ?
C40 C39 H39A 120.0 . . ?
C38 C39 H39A 120.0 . . ?
C39 C40 C41 120.0 . . ?
C39 C40 H40A 120.0 . . ?
C41 C40 H40A 120.0 . . ?
C40 C41 C36 120.0 . . ?
C40 C41 H41A 120.0 . . ?
C36 C41 H41A 120.0 . . ?
C43 C42 C47 120.0 . . ?
C43 C42 P2 119.6(12) . . ?
C47 C42 P2 120.4(12) . . ?
C44 C43 C42 120.0 . . ?
C44 C43 H43A 120.0 . . ?
C42 C43 H43A 120.0 . . ?
C45 C44 C43 120.0 . . ?
C45 C44 H44A 120.0 . . ?
C43 C44 H44A 120.0 . . ?
C44 C45 C46 120.0 . . ?
C44 C45 H45A 120.0 . . ?
C46 C45 H45A 120.0 . . ?
C47 C46 C45 120.0 . . ?
C47 C46 H46A 120.0 . . ?
C45 C46 H46A 120.0 . . ?
C46 C47 C42 120.0 . . ?
C46 C47 H47A 120.0 . . ?
C42 C47 H47A 120.0 . . ?
C43' C42' C47' 120.0 . . ?
C43' C42' P2 117(2) . . ?
C47' C42' P2 123(2) . . ?
C42' C43' C44' 120.0 . . ?
C42' C43' H43B 120.0 . . ?
C44' C43' H43B 120.0 . . ?
C43' C44' C45' 120.0 . . ?
C43' C44' H44B 120.0 . . ?
C45' C44' H44B 120.0 . . ?
C46' C45' C44' 120.0 . . ?
C46' C45' H45B 120.0 . . ?
C44' C45' H45B 120.0 . . ?
C47' C46' C45' 120.0 . . ?
C47' C46' H46B 120.0 . . ?
C45' C46' H46B 120.0 . . ?
C46' C47' C42' 120.0 . . ?
C46' C47' H47B 120.0 . . ?
C42' C47' H47B 120.0 . . ?
C49 C48 C53 120.0 . . ?
C49 C48 P2 118.2(9) . . ?
C53 C48 P2 121.8(9) . . ?
C50 C49 C48 120.0 . . ?
C50 C49 H49A 120.0 . . ?
C48 C49 H49A 120.0 . . ?
C49 C50 C51 120.0 . . ?
C49 C50 H50A 120.0 . . ?
C51 C50 H50A 120.0 . . ?
C50 C51 C52 120.0 . . ?
C50 C51 H51A 120.0 . . ?
C52 C51 H51A 120.0 . . ?
C53 C52 C51 120.0 . . ?
C53 C52 H52A 120.0 . . ?
C51 C52 H52A 120.0 . . ?
C52 C53 C48 120.0 . . ?
C52 C53 H53A 120.0 . . ?
C48 C53 H53A 120.0 . . ?
C49' C48' C53' 120.0 . . ?
C49' C48' P2 129(4) . . ?
C53' C48' P2 110(4) . . ?
C50' C49' C48' 120.0 . . ?
C50' C49' H49B 120.0 . . ?
C48' C49' H49B 120.0 . . ?
C49' C50' C51' 120.0 . . ?
C49' C50' H50B 120.0 . . ?
C51' C50' H50B 120.0 . . ?
C52' C51' C50' 120.0 . . ?
C52' C51' H51B 120.0 . . ?
C50' C51' H51B 120.0 . . ?
C51' C52' C53' 120.0 . . ?
C51' C52' H52B 120.0 . . ?
C53' C52' H52B 120.0 . . ?
C52' C53' C48' 120.0 . . ?
C52' C53' H53B 120.0 . . ?
C48' C53' H53B 120.0 . . ?
C55 C54 C59 119.0(12) . . ?
C55 C54 C1 124.9(11) . . ?
C59 C54 C1 116.1(11) . . ?
C54 C55 C56 120.8(13) . . ?
C54 C55 H55A 119.6 . . ?
C56 C55 H55A 119.6 . . ?
C55 C56 C57 121.6(14) . . ?
C55 C56 H56A 119.2 . . ?
C57 C56 H56A 119.2 . . ?
C56 C57 C58 119.2(11) . . ?
C56 C57 C60 121.2(13) . . ?
C58 C57 C60 119.5(13) . . ?
C59 C58 C57 116.1(12) . . ?
C59 C58 H58A 121.9 . . ?
C57 C58 H58A 121.9 . . ?
C58 C59 C54 123.1(13) . . ?
C58 C59 H59A 118.5 . . ?
C54 C59 H59A 118.5 . . ?
C61 C60 C57 178.1(19) . . ?
C60 C61 Au3 175.3(16) . . ?
C63 C62 C67 120.0 . . ?
C63 C62 P3 119.7(11) . . ?
C67 C62 P3 120.1(11) . . ?
C64 C63 C62 120.0 . . ?
C64 C63 H63A 120.0 . . ?
C62 C63 H63A 120.0 . . ?
C63 C64 C65 120.0 . . ?
C63 C64 H64A 120.0 . . ?
C65 C64 H64A 120.0 . . ?
C66 C65 C64 120.0 . . ?
C66 C65 H65A 120.0 . . ?
C64 C65 H65A 120.0 . . ?
C67 C66 C65 120.0 . . ?
C67 C66 H66A 120.0 . . ?
C65 C66 H66A 120.0 . . ?
C66 C67 C62 120.0 . . ?
C66 C67 H67A 120.0 . . ?
C62 C67 H67A 120.0 . . ?
C63' C62' C67' 120.0 . . ?
C63' C62' P3 130(3) . . ?
C67' C62' P3 109(3) . . ?
C62' C63' C64' 120.0 . . ?
C62' C63' H63B 120.0 . . ?
C64' C63' H63B 120.0 . . ?
C65' C64' C63' 120.0 . . ?
C65' C64' H64B 120.0 . . ?
C63' C64' H64B 120.0 . . ?
C64' C65' C66' 120.0 . . ?
C64' C65' H65B 120.0 . . ?
C66' C65' H65B 120.0 . . ?
C67' C66' C65' 120.0 . . ?
C67' C66' H66B 120.0 . . ?
C65' C66' H66B 120.0 . . ?
C66' C67' C62' 120.0 . . ?
C66' C67' H67B 120.0 . . ?
C62' C67' H67B 120.0 . . ?
C69 C68 C73 120.0 . . ?
C69 C68 P3 118.6(6) . . ?
C73 C68 P3 121.4(6) . . ?
C68 C69 C70 120.0 . . ?
C68 C69 H69A 120.0 . . ?
C70 C69 H69A 120.0 . . ?
C69 C70 C71 120.0 . . ?
C69 C70 H70A 120.0 . . ?
C71 C70 H70A 120.0 . . ?
C72 C71 C70 120.0 . . ?
C72 C71 H71A 120.0 . . ?
C70 C71 H71A 120.0 . . ?
C73 C72 C71 120.0 . . ?
C73 C72 H72A 120.0 . . ?
C71 C72 H72A 120.0 . . ?
C72 C73 C68 120.0 . . ?
C72 C73 H73A 120.0 . . ?
C68 C73 H73A 120.0 . . ?
C75 C74 C79 120.0 . . ?
C75 C74 P3 121.5(6) . . ?
C79 C74 P3 118.5(6) . . ?
C74 C75 C76 120.0 . . ?
C74 C75 H75A 120.0 . . ?
C76 C75 H75A 120.0 . . ?
C77 C76 C75 120.0 . . ?
C77 C76 H76A 120.0 . . ?
C75 C76 H76A 120.0 . . ?
C76 C77 C78 120.0 . . ?
C76 C77 H77A 120.0 . . ?
C78 C77 H77A 120.0 . . ?
C79 C78 C77 120.0 . . ?
C79 C78 H78A 120.0 . . ?
C77 C78 H78A 120.0 . . ?
C78 C79 C74 120.0 . . ?
C78 C79 H79A 120.0 . . ?
C74 C79 H79A 120.0 . . ?
C85 C80 C81 116.6(12) . . ?
C85 C80 C1 121.1(12) . . ?
C81 C80 C1 122.2(11) . . ?
C82 C81 C80 124.3(13) . . ?
C82 C81 H81A 117.8 . . ?
C80 C81 H81A 117.8 . . ?
C81 C82 C83 119.7(14) . . ?
C81 C82 H82A 120.2 . . ?
C83 C82 H82A 120.2 . . ?
C84 C83 C82 118.6(14) . . ?
C84 C83 C86 121.7(14) . . ?
C82 C83 C86 119.7(14) . . ?
C83 C84 C85 120.7(13) . . ?
C83 C84 H84A 119.6 . . ?
C85 C84 H84A 119.6 . . ?
C80 C85 C84 119.9(13) . . ?
C80 C85 H85A 120.0 . . ?
C84 C85 H85A 120.0 . . ?
C87 C86 C83 174.8(19) . . ?
C86 C87 Au4 175.7(18) . . ?
C89 C88 C93 120.0 . . ?
C89 C88 P4 121.2(18) . . ?
C93 C88 P4 118.1(17) . . ?
C90 C89 C88 120.0 . . ?
C90 C89 H89A 120.0 . . ?
C88 C89 H89A 120.0 . . ?
C89 C90 C91 120.0 . . ?
C89 C90 H90A 120.0 . . ?
C91 C90 H90A 120.0 . . ?
C90 C91 C92 120.0 . . ?
C90 C91 H91A 120.0 . . ?
C92 C91 H91A 120.0 . . ?
C91 C92 C93 120.0 . . ?
C91 C92 H92A 120.0 . . ?
C93 C92 H92A 120.0 . . ?
C92 C93 C88 120.0 . . ?
C92 C93 H93A 120.0 . . ?
C88 C93 H93A 120.0 . . ?
C89' C88' C93' 120.0 . . ?
C89' C88' P4 119(3) . . ?
C93' C88' P4 119(3) . . ?
C90' C89' C88' 120.0 . . ?
C90' C89' H89B 120.0 . . ?
C88' C89' H89B 120.0 . . ?
C89' C90' C91' 120.0 . . ?
C89' C90' H90B 120.0 . . ?
C91' C90' H90B 120.0 . . ?
C90' C91' C92' 120.0 . . ?
C90' C91' H91B 120.0 . . ?
C92' C91' H91B 120.0 . . ?
C93' C92' C91' 120.0 . . ?
C93' C92' H92B 120.0 . . ?
C91' C92' H92B 120.0 . . ?
C92' C93' C88' 120.0 . . ?
C92' C93' H93B 120.0 . . ?
C88' C93' H93B 120.0 . . ?
C95 C94 C99 120.0 . . ?
C95 C94 P4 120.1(18) . . ?
C99 C94 P4 119.8(18) . . ?
C96 C95 C94 120.0 . . ?
C96 C95 H95A 120.0 . . ?
C94 C95 H95A 120.0 . . ?
C97 C96 C95 120.0 . . ?
C97 C96 H96A 120.0 . . ?
C95 C96 H96A 120.0 . . ?
C96 C97 C98 120.0 . . ?
C96 C97 H97A 120.0 . . ?
C98 C97 H97A 120.0 . . ?
C97 C98 C99 120.0 . . ?
C97 C98 H98A 120.0 . . ?
C99 C98 H98A 120.0 . . ?
C98 C99 C94 120.0 . . ?
C98 C99 H99A 120.0 . . ?
C94 C99 H99A 120.0 . . ?
C95' C94' C99' 120.0 . . ?
C95' C94' P4 122(5) . . ?
C99' C94' P4 117(5) . . ?
C94' C95' C96' 120.0 . . ?
C94' C95' H95B 120.0 . . ?
C96' C95' H95B 120.0 . . ?
C97' C96' C95' 120.0 . . ?
C97' C96' H96B 120.0 . . ?
C95' C96' H96B 120.0 . . ?
C96' C97' C98' 120.0 . . ?
C96' C97' H97B 120.0 . . ?
C98' C97' H97B 120.0 . . ?
C97' C98' C99' 120.0 . . ?
C97' C98' H98B 120.0 . . ?
C99' C98' H98B 120.0 . . ?
C98' C99' C94' 120.0 . . ?
C98' C99' H99B 120.0 . . ?
C94' C99' H99B 120.0 . . ?
C101 C100 C105 120.0 . . ?
C101 C100 P4 119.7(12) . . ?
C105 C100 P4 120.3(12) . . ?
C100 C101 C102 120.0 . . ?
C100 C101 H10A 120.0 . . ?
C102 C101 H10A 120.0 . . ?
C101 C102 C103 120.0 . . ?
C101 C102 H10B 120.0 . . ?
C103 C102 H10B 120.0 . . ?
C104 C103 C102 120.0 . . ?
C104 C103 H10C 120.0 . . ?
C102 C103 H10C 120.0 . . ?
C105 C104 C103 120.0 . . ?
C105 C104 H10D 120.0 . . ?
C103 C104 H10D 120.0 . . ?
C104 C105 C100 120.0 . . ?
C104 C105 H10E 120.0 . . ?
C100 C105 H10E 120.0 . . ?
C111 C110 C115 120.00(6) . . ?
C111 C110 P4 119.98(16) . . ?
C115 C110 P4 119.98(11) . . ?
C110 C111 C112 120.0 . . ?
C110 C111 H11B 120.0 . . ?
C112 C111 H11B 120.0 . . ?
C113 C112 C111 120.0 . . ?
C113 C112 H11C 120.0 . . ?
C111 C112 H11C 120.0 . . ?
C114 C113 C112 120.00(6) . . ?
C114 C113 H11D 120.0 . . ?
C112 C113 H11D 120.0 . . ?
C113 C114 C115 120.0 . . ?
C113 C114 H11E 120.0 . . ?
C115 C114 H11E 120.0 . . ?
C114 C115 C110 120.0 . . ?
C114 C115 H11F 120.0 . . ?
C110 C115 H11F 120.0 . . ?

_refine_diff_density_max         4.541
_refine_diff_density_min         -1.921
_refine_diff_density_rms         0.254






_publcif_funding_html            
;
;
