# Electronic Supplementary Material (ESI) for ChemComm.
# 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_Et4N[12-(Ph3PAu)CC-closo-1-CB11H11]THF
_database_code_depnum_ccdc_archive 'CCDC 1856194'
loop_
_audit_author_name
_audit_author_address
'Maik Finze'
;University of W?rzburg
Germany
;
_audit_update_record             
;
2018-07-16 deposited with the CCDC.	2019-07-10 downloaded from the CCDC.
;

#=================================================================
#DATA 1 Et4N[12-(Ph3PAu)CC-closo-1-CB11H11]THF
#=================================================================

# start Validation Reply Form
_vrf_DIFMN02_Et4N12-Ph3PAuCC-closo-1-CB11H11THF 
;
PROBLEM: The minimum difference density is < -0.1*ZMAX*1.00
RESPONSE: Due to the bad quality of the dataset restraints had to be applied to ensure a stable refinement. 
The refined structure is in full agreement to the spectroscopic data and the result of the elemental analysis.
;
_vrf_DIFMX01_Et4N12-Ph3PAuCC-closo-1-CB11H11THF 
;
PROBLEM: The maximum difference density is > 0.1*ZMAX*1.00
RESPONSE: Due to the bad quality of the dataset restraints had to be applied to ensure a stable refinement. 
The refined structure is in full agreement to the spectroscopic data and the result of the elemental analysis.
;
_vrf_PLAT097_Et4N12-Ph3PAuCC-closo-1-CB11H11THF 
;
PROBLEM: Large Reported Max.  (Positive) Residual Density      10.23 eA-3  
RESPONSE: Due to the bad quality of the dataset restraints had to be applied to ensure a stable refinement. 
The refined structure is in full agreement to the spectroscopic data and the result of the elemental analysis.
;
_vrf_PLAT098_Et4N12-Ph3PAuCC-closo-1-CB11H11THF 
;
PROBLEM: Large Reported Min.  (Negative) Residual Density      -7.98 eA-3
RESPONSE: Due to the bad quality of the dataset restraints had to be applied to ensure a stable refinement. 
The refined structure is in full agreement to the spectroscopic data and the result of the elemental analysis.
;
_vrf_PLAT201_Et4N12-Ph3PAuCC-closo-1-CB11H11THF 
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) .......          4 Report
RESPONSE: Due to the bad quality of the dataset restraints had to be applied to ensure a stable refinement. 
The refined structure is in full agreement to the spectroscopic data and the result of the elemental analysis.
;
_vrf_PLAT213_Et4N12-Ph3PAuCC-closo-1-CB11H11THF 
;
PROBLEM: Atom B24             has ADP max/min Ratio .....        4.3 prolat
RESPONSE: Due to the bad quality of the dataset restraints had to be applied to ensure a stable refinement. 
The refined structure is in full agreement to the spectroscopic data and the result of the elemental analysis.
;
_vrf_PLAT342_Et4N12-Ph3PAuCC-closo-1-CB11H11THF 
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02195 Ang.  
RESPONSE: Due to the bad quality of the dataset restraints had to be applied to ensure a stable refinement. 
The refined structure is in full agreement to the spectroscopic data and the result of the elemental analysis.
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '2(C21 H26 Au B11 P), C4 H8 O'
_chemical_formula_sum            'C46 H60 Au2 B22 O P2'
_chemical_formula_weight         1322.63

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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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/c'
_space_group_name_Hall           '-P 2ybc'

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

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

_cell_length_a                   32.353(2)
_cell_length_b                   9.0652(5)
_cell_length_c                   26.6939(16)
_cell_angle_alpha                90
_cell_angle_beta                 113.503(3)
_cell_angle_gamma                90
_cell_volume                     7179.6(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9878
_cell_measurement_theta_min      2.3945
_cell_measurement_theta_max      26.071

_exptl_crystal_description       needle
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.224
_exptl_crystal_F_000             2568
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.04
_exptl_absorpt_coefficient_mu    4.154
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6158
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   'SadAbs 2014/5 (Bruker AXS)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_source                   'rotating-anode (Nonius FR-591)'
_diffrn_measurement_device_type  'Bruker X8-APEX II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            58236
_diffrn_reflns_av_unetI/netI     0.0416
_diffrn_reflns_av_R_equivalents  0.0428
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         1.526
_diffrn_reflns_theta_max         26.860
_diffrn_reflns_theta_full        26.000
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             15298
_reflns_number_gt                13643
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'APEX2 ver. 2014.9 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. V8.34A (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. V8.34A (Bruker AXS)'
_computing_structure_solution    'SHELXT (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'ShelXLe (Huebschle et all, 2011)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_refine_special_details          
;
Refinement of F² against ALL reflections. The weighted R-factor wR and 
goodness of fit S are based on F², conventional R-factors R are based on F, 
with F set to zero for negative F². The threshold expression of F² > 
2sigma(F²) is used only for calculating R-factors(gt) etc. and is not 
relevant to the choice of reflections for refinement. R-factors based on F² 
are statistically about twice as large as those based on F, and R-factors 
based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0130P)²+3.9263P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15298
_refine_ls_number_parameters     566
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.1004
_refine_ls_R_factor_gt           0.0929
_refine_ls_wR_factor_ref         0.1949
_refine_ls_wR_factor_gt          0.1936
_refine_ls_goodness_of_fit_ref   3.810
_refine_ls_restrained_S_all      3.810
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.19145(2) 0.57860(5) 0.08763(2) 0.01562(13) Uani 1 1 d . . . . .
C1 C 0.4542(4) 0.7736(14) 0.2204(6) 0.025(3) Uani 1 1 d . . . . .
H1 H 0.4904 0.7984 0.2391 0.030 Uiso 1 1 calc R U . . .
O1 O 0.2503(3) 0.1825(11) 0.1973(4) 0.042(3) Uani 1 1 d . . . . .
C31 C 0.4172(4) 0.3675(12) 0.5129(4) 0.012(2) Uani 1 1 d . . . . .
B31 B 0.1319(5) 0.1560(18) 0.2755(7) 0.030(4) Uani 1 1 d . . . . .
H31 H 0.1539 0.0991 0.2590 0.035 Uiso 1 1 calc R U . . .
B2 B 0.4173(4) 0.9173(16) 0.1972(6) 0.0218(11) Uani 1 1 d . . . . .
H2 H 0.4271 1.0342 0.2003 0.026 Uiso 1 1 calc R U . . .
C2 C 0.2960(4) 0.6506(13) 0.1351(5) 0.017(3) Uani 1 1 d . . . . .
Au2 Au 0.31107(2) 0.39778(5) 0.40791(2) 0.01252(13) Uani 1 1 d . . . . .
P2 P 0.38697(10) 0.4392(3) 0.44390(12) 0.0125(6) Uani 1 1 d . . . . .
B3 B 0.4268(4) 0.7957(16) 0.1514(6) 0.0218(11) Uani 1 1 d . . . . .
H3 H 0.4428 0.8346 0.1244 0.026 Uiso 1 1 calc R U . . .
C3 C 0.2578(4) 0.6140(12) 0.1161(5) 0.018(3) Uani 1 1 d . . . . .
P1 P 0.11505(10) 0.5542(3) 0.05417(13) 0.0155(6) Uani 1 1 d . . . . .
B4 B 0.4378(4) 0.6151(16) 0.1834(6) 0.0218(11) Uani 1 1 d . . . . .
H4 H 0.4609 0.5351 0.1772 0.026 Uiso 1 1 calc R U . . .
C4 C 0.0943(4) 0.3624(14) 0.0429(5) 0.019(3) Uani 1 1 d . . . . .
C27 C 0.4122(4) 0.3043(14) 0.3133(5) 0.025(3) Uani 1 1 d . . . . .
H27 H 0.3980 0.3133 0.2755 0.030 Uiso 1 1 calc R U . . .
B27 B 0.1167(5) 0.344(2) 0.2593(6) 0.030(4) Uani 1 1 d . . . . .
H27A H 0.1285 0.4093 0.2328 0.036 Uiso 1 1 calc R U . . .
C37 C 0.4025(4) 0.6332(13) 0.4503(5) 0.0180(18) Uani 1 1 d . . . . .
C5 C 0.0811(4) 0.2956(15) -0.0084(5) 0.026(3) Uani 1 1 d . . . . .
H5 H 0.0808 0.3495 -0.0381 0.031 Uiso 1 1 calc R U . . .
B5 B 0.4352(5) 0.6330(15) 0.2467(6) 0.020(3) Uiso 1 1 d . . . . .
H5A H 0.4567 0.5678 0.2823 0.024 Uiso 1 1 calc R U . . .
C6 C 0.0685(5) 0.1498(14) -0.0145(6) 0.033(3) Uani 1 1 d . . . . .
H6 H 0.0605 0.1044 -0.0483 0.039 Uiso 1 1 calc R U . . .
B6 B 0.4212(4) 0.8180(16) 0.2543(6) 0.0218(11) Uani 1 1 d . . . . .
H6A H 0.4335 0.8730 0.2943 0.026 Uiso 1 1 calc R U . . .
C38 C 0.4231(4) 0.6972(13) 0.4193(5) 0.0180(18) Uani 1 1 d . . . . .
H38 H 0.4273 0.6421 0.3923 0.022 Uiso 1 1 calc R U . . .
B7 B 0.3668(4) 0.8525(16) 0.2045(6) 0.0218(11) Uani 1 1 d . . . . .
H7 H 0.3430 0.9273 0.2119 0.026 Uiso 1 1 calc R U . . .
C7 C 0.0676(4) 0.0718(14) 0.0281(6) 0.031(3) Uani 1 1 d . . . . .
H7A H 0.0578 -0.0257 0.0228 0.037 Uiso 1 1 calc R U . . .
C41 C 0.4091(5) 0.8647(14) 0.4985(6) 0.030(3) Uani 1 1 d . . . . .
H41 H 0.4041 0.9204 0.5248 0.036 Uiso 1 1 calc R U . . .
B8 B 0.3713(4) 0.8424(16) 0.1398(6) 0.0218(11) Uani 1 1 d . . . . .
H8 H 0.3505 0.9126 0.1054 0.026 Uiso 1 1 calc R U . . .
C8 C 0.0808(5) 0.1340(15) 0.0796(6) 0.033(3) Uani 1 1 d . . . . .
H8A H 0.0803 0.0787 0.1086 0.039 Uiso 1 1 calc R U . . .
C9 C 0.0951(4) 0.2811(13) 0.0872(5) 0.021(3) Uani 1 1 d . . . . .
H9 H 0.1050 0.3238 0.1217 0.025 Uiso 1 1 calc R U . . .
B9 B 0.3850(4) 0.6589(16) 0.1308(6) 0.0218(11) Uani 1 1 d . . . . .
H9A H 0.3734 0.6101 0.0897 0.026 Uiso 1 1 calc R U . . .
C30 C 0.4547(3) 0.2784(12) 0.4254(5) 0.014(2) Uani 1 1 d . . . . .
H30 H 0.4692 0.2684 0.4631 0.017 Uiso 1 1 calc R U . . .
B30 B 0.1340(5) 0.1221(17) 0.3410(6) 0.023(3) Uani 1 1 d . . . . .
H30A H 0.1575 0.0415 0.3687 0.027 Uiso 1 1 calc R U . . .
C34 C 0.4619(4) 0.2628(15) 0.6186(5) 0.027(3) Uani 1 1 d . . . . .
H34 H 0.4769 0.2290 0.6542 0.032 Uiso 1 1 calc R U . . .
C33 C 0.4792(4) 0.3796(15) 0.6000(5) 0.026(3) Uani 1 1 d . . . . .
H33 H 0.5061 0.4235 0.6230 0.032 Uiso 1 1 calc R U . . .
C40 C 0.4289(6) 0.9255(14) 0.4683(6) 0.037(4) Uani 1 1 d . . . . .
H40 H 0.4371 1.0244 0.4739 0.044 Uiso 1 1 calc R U . . .
C10 C 0.0896(4) 0.6444(13) -0.0116(5) 0.015(2) Uani 1 1 d . . . . .
B10 B 0.3906(4) 0.5556(16) 0.1901(6) 0.019(3) Uani 1 1 d . . . . .
H10 H 0.3826 0.4373 0.1881 0.023 Uiso 1 1 calc R U . . .
C39 C 0.4381(6) 0.8474(15) 0.4282(7) 0.041(4) Uani 1 1 d . . . . .
H39 H 0.4531 0.8910 0.4086 0.049 Uiso 1 1 calc R U . . .
C11 C 0.0441(4) 0.6941(16) -0.0339(6) 0.032(3) Uani 1 1 d . . . . .
H11 H 0.0263 0.6823 -0.0141 0.039 Uiso 1 1 calc R U . . .
B11 B 0.3786(4) 0.6765(16) 0.2348(6) 0.0218(11) Uani 1 1 d . . . . .
H11A H 0.3628 0.6379 0.2620 0.026 Uiso 1 1 calc R U . . .
C12 C 0.0267(5) 0.7586(16) -0.0839(6) 0.037(4) Uani 1 1 d . . . . .
H12 H -0.0030 0.7914 -0.0984 0.045 Uiso 1 1 calc R U . . .
B12 B 0.3474(4) 0.6890(16) 0.1630(6) 0.0218(11) Uani 1 1 d . . . . .
C36 C 0.3985(4) 0.2499(14) 0.5308(5) 0.022(3) Uani 1 1 d . . . . .
H36 H 0.3710 0.2094 0.5079 0.026 Uiso 1 1 calc R U . . .
C13 C 0.0536(4) 0.7758(16) -0.1137(6) 0.031(2) Uani 1 1 d . . . . .
H13 H 0.0411 0.8146 -0.1489 0.037 Uiso 1 1 calc R U . . .
C14 C 0.0968(4) 0.7374(15) -0.0923(5) 0.031(2) Uani 1 1 d . . . . .
H14 H 0.1147 0.7537 -0.1117 0.037 Uiso 1 1 calc R U . . .
C16 C 0.0900(4) 0.6371(13) 0.0979(5) 0.019(3) Uani 1 1 d . . . . .
C15 C 0.1149(5) 0.6739(16) -0.0417(6) 0.032(3) Uani 1 1 d . . . . .
H15 H 0.1454 0.6497 -0.0270 0.038 Uiso 1 1 calc R U . . .
C19 C 0.0546(4) 0.7671(16) 0.1669(6) 0.031(3) Uani 1 1 d . . . . .
H19 H 0.0424 0.8128 0.1891 0.037 Uiso 1 1 calc R U . . .
C18 C 0.0972(4) 0.8037(15) 0.1707(5) 0.026(3) Uani 1 1 d . . . . .
H18 H 0.1141 0.8729 0.1965 0.032 Uiso 1 1 calc R U . . .
C59 C 0.2103(4) 0.2645(14) 0.1876(6) 0.031(3) Uani 1 1 d . . . . .
H59A H 0.1888 0.2044 0.1954 0.038 Uiso 1 1 calc R U . . .
H59B H 0.1965 0.2956 0.1497 0.038 Uiso 1 1 calc R U . . .
C32 C 0.4568(4) 0.4316(14) 0.5473(5) 0.020(3) Uani 1 1 d . . . . .
H32 H 0.4686 0.5106 0.5351 0.024 Uiso 1 1 calc R U . . .
B32 B 0.1543(4) 0.2910(15) 0.3280(6) 0.017(3) Uani 1 1 d . . . . .
C60 C 0.2236(4) 0.3977(14) 0.2250(6) 0.026(3) Uani 1 1 d . . . . .
H60A H 0.2123 0.3895 0.2535 0.031 Uiso 1 1 calc R U . . .
H60B H 0.2121 0.4879 0.2046 0.031 Uiso 1 1 calc R U . . .
C62 C 0.2845(4) 0.2946(15) 0.2121(6) 0.033(2) Uani 1 1 d . . . . .
H62A H 0.2834 0.3468 0.1799 0.039 Uiso 1 1 calc R U . . .
H62B H 0.3142 0.2509 0.2302 0.039 Uiso 1 1 calc R U . . .
C35 C 0.4213(4) 0.1943(14) 0.5834(5) 0.022(3) Uani 1 1 d . . . . .
H35 H 0.4101 0.1132 0.5953 0.027 Uiso 1 1 calc R U . . .
C42 C 0.3958(4) 0.7142(14) 0.4903(5) 0.024(3) Uani 1 1 d . . . . .
H42 H 0.3825 0.6704 0.5117 0.029 Uiso 1 1 calc R U . . .
C17 C 0.1153(4) 0.7403(14) 0.1372(5) 0.023(3) Uani 1 1 d . . . . .
H17 H 0.1441 0.7658 0.1406 0.028 Uiso 1 1 calc R U . . .
C21 C 0.0471(4) 0.5946(14) 0.0941(5) 0.026(3) Uani 1 1 d . . . . .
H21 H 0.0306 0.5244 0.0686 0.031 Uiso 1 1 calc R U . . .
C20 C 0.0299(4) 0.6579(17) 0.1284(6) 0.035(4) Uani 1 1 d . . . . .
H20 H 0.0017 0.6290 0.1264 0.042 Uiso 1 1 calc R U . . .
C24 C 0.2447(4) 0.3569(13) 0.3753(5) 0.018(3) Uani 1 1 d . . . . .
B24 B 0.0786(5) 0.1451(19) 0.3393(7) 0.030(4) Uani 1 1 d . U . . .
H24 H 0.0644 0.0805 0.3635 0.036 Uiso 1 1 calc R U . . .
C23 C 0.2039(4) 0.3317(14) 0.3534(5) 0.019(3) Uani 1 1 d . . . . .
B23 B 0.0654(5) 0.3347(18) 0.3253(6) 0.026(4) Uani 1 1 d . . . . .
H23 H 0.0436 0.3941 0.3414 0.032 Uiso 1 1 calc R U . . .
C22 C 0.0486(4) 0.1999(15) 0.2754(5) 0.028(3) Uani 1 1 d . U . . .
H22 H 0.0130 0.1667 0.2578 0.034 Uiso 1 1 calc R U . . .
B22 B 0.0619(7) 0.365(2) 0.2595(8) 0.048(5) Uiso 1 1 d . . . . .
H22A H 0.0371 0.4440 0.2325 0.057 Uiso 1 1 calc R U . . .
C61 C 0.2752(4) 0.3951(16) 0.2490(6) 0.033(2) Uani 1 1 d . . . . .
H61A H 0.2875 0.4925 0.2485 0.039 Uiso 1 1 calc R U . . .
H61B H 0.2874 0.3579 0.2862 0.039 Uiso 1 1 calc R U . . .
C25 C 0.4138(4) 0.3589(12) 0.4025(5) 0.013(2) Uani 1 1 d . . . . .
B25 B 0.0896(6) 0.0630(19) 0.2839(7) 0.035(4) Uiso 1 1 d . . . . .
H25 H 0.0842 -0.0549 0.2735 0.042 Uiso 1 1 calc R U . . .
C26 C 0.3932(4) 0.3686(13) 0.3464(5) 0.022(3) Uani 1 1 d . . . . .
H26 H 0.3660 0.4192 0.3303 0.027 Uiso 1 1 calc R U . . .
B26 B 0.0748(5) 0.2034(16) 0.2322(7) 0.025(3) Uiso 1 1 d . . . . .
H26A H 0.0585 0.1778 0.1883 0.030 Uiso 1 1 calc R U . . .
C29 C 0.4728(4) 0.2150(13) 0.3918(5) 0.021(3) Uani 1 1 d . . . . .
H29 H 0.4997 0.1629 0.4072 0.025 Uiso 1 1 calc R U . . .
B29 B 0.1206(5) 0.2841(16) 0.3681(6) 0.025(2) Uani 1 1 d . . . . .
H29A H 0.1350 0.3082 0.4121 0.030 Uiso 1 1 calc R U . . .
C28 C 0.4520(4) 0.2275(14) 0.3363(5) 0.021(3) Uani 1 1 d . . . . .
H28 H 0.4646 0.1842 0.3141 0.025 Uiso 1 1 calc R U . . .
B28 B 0.1099(5) 0.4260(16) 0.3174(6) 0.025(2) Uani 1 1 d . . . . .
H28A H 0.1174 0.5430 0.3280 0.030 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 C3 1.998(12) . ?
Au1 P1 2.280(3) . ?
C1 B5 1.685(19) . ?
C1 B6 1.699(19) . ?
C1 B4 1.703(18) . ?
C1 B2 1.707(19) . ?
C1 B3 1.71(2) . ?
C1 H1 1.1000 . ?
O1 C59 1.426(15) . ?
O1 C62 1.436(16) . ?
C31 C32 1.372(16) . ?
C31 C36 1.402(16) . ?
C31 P2 1.827(11) . ?
B31 B25 1.70(2) . ?
B31 B30 1.75(2) . ?
B31 B27 1.78(2) . ?
B31 B32 1.78(2) . ?
B31 B26 1.80(2) . ?
B31 H31 1.1000 . ?
B2 B6 1.73(2) . ?
B2 B3 1.76(2) . ?
B2 B8 1.791(19) . ?
B2 B7 1.82(2) . ?
B2 H2 1.1000 . ?
C2 C3 1.180(16) . ?
C2 B12 1.566(17) . ?
Au2 C24 2.004(12) . ?
Au2 P2 2.283(3) . ?
P2 C25 1.809(11) . ?
P2 C37 1.819(12) . ?
B3 B8 1.750(19) . ?
B3 B9 1.753(19) . ?
B3 B4 1.81(2) . ?
B3 H3 1.1000 . ?
P1 C10 1.810(12) . ?
P1 C16 1.826(12) . ?
P1 C4 1.845(13) . ?
B4 B10 1.696(19) . ?
B4 B5 1.73(2) . ?
B4 B9 1.770(19) . ?
B4 H4 1.1000 . ?
C4 C9 1.386(17) . ?
C4 C5 1.399(17) . ?
C27 C28 1.374(17) . ?
C27 C26 1.389(17) . ?
C27 H27 0.9300 . ?
B27 B22 1.79(2) . ?
B27 B26 1.79(2) . ?
B27 B28 1.81(2) . ?
B27 B32 1.82(2) . ?
B27 H27A 1.1000 . ?
C37 C38 1.382(16) . ?
C37 C42 1.382(17) . ?
C5 C6 1.373(18) . ?
C5 H5 0.9300 . ?
B5 B10 1.77(2) . ?
B5 B6 1.77(2) . ?
B5 B11 1.772(19) . ?
B5 H5A 1.1000 . ?
C6 C7 1.35(2) . ?
C6 H6 0.9300 . ?
B6 B7 1.758(18) . ?
B6 B11 1.800(19) . ?
B6 H6A 1.1000 . ?
C38 C39 1.434(18) . ?
C38 H38 0.9300 . ?
B7 B11 1.76(2) . ?
B7 B8 1.79(2) . ?
B7 B12 1.81(2) . ?
B7 H7 1.1000 . ?
C7 C8 1.385(19) . ?
C7 H7A 0.9300 . ?
C41 C40 1.333(19) . ?
C41 C42 1.422(18) . ?
C41 H41 0.9300 . ?
B8 B9 1.76(2) . ?
B8 B12 1.82(2) . ?
B8 H8 1.1000 . ?
C8 C9 1.398(18) . ?
C8 H8A 0.9300 . ?
C9 H9 0.9300 . ?
B9 B12 1.77(2) . ?
B9 B10 1.79(2) . ?
B9 H9A 1.1000 . ?
C30 C29 1.378(16) . ?
C30 C25 1.418(15) . ?
C30 H30 0.9300 . ?
B30 B25 1.71(2) . ?
B30 B32 1.75(2) . ?
B30 B29 1.77(2) . ?
B30 B24 1.79(2) . ?
B30 H30A 1.1000 . ?
C34 C33 1.380(19) . ?
C34 C35 1.416(18) . ?
C34 H34 0.9300 . ?
C33 C32 1.382(17) . ?
C33 H33 0.9300 . ?
C40 C39 1.41(2) . ?
C40 H40 0.9300 . ?
C10 C15 1.383(17) . ?
C10 C11 1.422(17) . ?
B10 B12 1.77(2) . ?
B10 B11 1.77(2) . ?
B10 H10 1.1000 . ?
C39 H39 0.9300 . ?
C11 C12 1.359(19) . ?
C11 H11 0.9300 . ?
B11 B12 1.78(2) . ?
B11 H11A 1.1000 . ?
C12 C13 1.403(19) . ?
C12 H12 0.9300 . ?
C36 C35 1.394(16) . ?
C36 H36 0.9300 . ?
C13 C14 1.327(18) . ?
C13 H13 0.9300 . ?
C14 C15 1.366(18) . ?
C14 H14 0.9300 . ?
C16 C17 1.399(17) . ?
C16 C21 1.404(17) . ?
C15 H15 0.9300 . ?
C19 C18 1.383(17) . ?
C19 C20 1.42(2) . ?
C19 H19 0.9300 . ?
C18 C17 1.373(17) . ?
C18 H18 0.9300 . ?
C59 C60 1.515(18) . ?
C59 H59A 0.9700 . ?
C59 H59B 0.9700 . ?
C32 H32 0.9300 . ?
B32 C23 1.518(17) . ?
B32 B29 1.81(2) . ?
B32 B28 1.821(19) . ?
C60 C61 1.532(17) . ?
C60 H60A 0.9700 . ?
C60 H60B 0.9700 . ?
C62 C61 1.458(19) . ?
C62 H62A 0.9700 . ?
C62 H62B 0.9700 . ?
C35 H35 0.9300 . ?
C42 H42 0.9300 . ?
C17 H17 0.9300 . ?
C21 C20 1.375(18) . ?
C21 H21 0.9300 . ?
C20 H20 0.9300 . ?
C24 C23 1.233(16) . ?
B24 C22 1.67(2) . ?
B24 B23 1.78(2) . ?
B24 B29 1.79(2) . ?
B24 B25 1.81(2) . ?
B24 H24 1.1000 . ?
B23 C22 1.73(2) . ?
B23 B22 1.74(2) . ?
B23 B28 1.75(2) . ?
B23 B29 1.76(2) . ?
B23 H23 1.1000 . ?
C22 B22 1.66(2) . ?
C22 B26 1.68(2) . ?
C22 B25 1.76(2) . ?
C22 H22 1.1000 . ?
B22 B26 1.76(2) . ?
B22 B28 1.79(3) . ?
B22 H22A 1.1000 . ?
C61 H61A 0.9700 . ?
C61 H61B 0.9700 . ?
C25 C26 1.378(17) . ?
B25 B26 1.80(2) . ?
B25 H25 1.1000 . ?
C26 H26 0.9300 . ?
B26 H26A 1.1000 . ?
C29 C28 1.368(17) . ?
C29 H29 0.9300 . ?
B29 B28 1.80(2) . ?
B29 H29A 1.1000 . ?
C28 H28 0.9300 . ?
B28 H28A 1.1000 . ?

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
C3 Au1 P1 176.3(3) . . ?
B5 C1 B6 63.1(8) . . ?
B5 C1 B4 61.5(8) . . ?
B6 C1 B4 113.1(10) . . ?
B5 C1 B2 114.2(10) . . ?
B6 C1 B2 61.0(8) . . ?
B4 C1 B2 115.0(10) . . ?
B5 C1 B3 114.8(10) . . ?
B6 C1 B3 112.4(10) . . ?
B4 C1 B3 64.3(8) . . ?
B2 C1 B3 62.2(8) . . ?
B5 C1 H1 117.8 . . ?
B6 C1 H1 119.5 . . ?
B4 C1 H1 117.7 . . ?
B2 C1 H1 118.3 . . ?
B3 C1 H1 117.8 . . ?
C59 O1 C62 103.0(9) . . ?
C32 C31 C36 120.6(11) . . ?
C32 C31 P2 120.4(9) . . ?
C36 C31 P2 118.9(9) . . ?
B25 B31 B30 59.5(9) . . ?
B25 B31 B27 110.4(11) . . ?
B30 B31 B27 107.9(11) . . ?
B25 B31 B32 109.4(11) . . ?
B30 B31 B32 59.5(8) . . ?
B27 B31 B32 61.2(8) . . ?
B25 B31 B26 61.8(9) . . ?
B30 B31 B26 107.7(11) . . ?
B27 B31 B26 60.1(9) . . ?
B32 B31 B26 109.4(11) . . ?
B25 B31 H31 120.2 . . ?
B30 B31 H31 122.9 . . ?
B27 B31 H31 120.8 . . ?
B32 B31 H31 120.8 . . ?
B26 B31 H31 121.1 . . ?
C1 B2 B6 59.3(8) . . ?
C1 B2 B3 58.9(8) . . ?
B6 B2 B3 108.3(11) . . ?
C1 B2 B8 104.1(10) . . ?
B6 B2 B8 107.4(10) . . ?
B3 B2 B8 59.0(8) . . ?
C1 B2 B7 104.0(10) . . ?
B6 B2 B7 59.4(8) . . ?
B3 B2 B7 106.6(10) . . ?
B8 B2 B7 59.5(8) . . ?
C1 B2 H2 124.7 . . ?
B6 B2 H2 121.3 . . ?
B3 B2 H2 121.9 . . ?
B8 B2 H2 123.1 . . ?
B7 B2 H2 123.3 . . ?
C3 C2 B12 175.8(13) . . ?
C24 Au2 P2 178.5(3) . . ?
C25 P2 C37 105.4(5) . . ?
C25 P2 C31 106.2(5) . . ?
C37 P2 C31 103.4(5) . . ?
C25 P2 Au2 112.0(4) . . ?
C37 P2 Au2 114.2(4) . . ?
C31 P2 Au2 114.8(4) . . ?
C1 B3 B8 105.8(11) . . ?
C1 B3 B9 105.0(11) . . ?
B8 B3 B9 60.5(8) . . ?
C1 B3 B2 58.9(8) . . ?
B8 B3 B2 61.3(8) . . ?
B9 B3 B2 109.5(10) . . ?
C1 B3 B4 57.8(8) . . ?
B8 B3 B4 107.2(10) . . ?
B9 B3 B4 59.4(8) . . ?
B2 B3 B4 107.0(11) . . ?
C1 B3 H3 124.6 . . ?
B8 B3 H3 121.7 . . ?
B9 B3 H3 121.8 . . ?
B2 B3 H3 120.8 . . ?
B4 B3 H3 122.9 . . ?
C2 C3 Au1 172.1(11) . . ?
C10 P1 C16 106.7(6) . . ?
C10 P1 C4 105.8(5) . . ?
C16 P1 C4 105.5(5) . . ?
C10 P1 Au1 109.8(4) . . ?
C16 P1 Au1 113.4(4) . . ?
C4 P1 Au1 115.0(4) . . ?
B10 B4 C1 107.0(10) . . ?
B10 B4 B5 62.0(8) . . ?
C1 B4 B5 58.7(8) . . ?
B10 B4 B9 62.0(8) . . ?
C1 B4 B9 104.4(10) . . ?
B5 B4 B9 110.3(10) . . ?
B10 B4 B3 108.7(10) . . ?
C1 B4 B3 58.0(8) . . ?
B5 B4 B3 107.4(10) . . ?
B9 B4 B3 58.5(8) . . ?
B10 B4 H4 120.1 . . ?
C1 B4 H4 124.7 . . ?
B5 B4 H4 120.5 . . ?
B9 B4 H4 121.8 . . ?
B3 B4 H4 122.8 . . ?
C9 C4 C5 120.0(12) . . ?
C9 C4 P1 118.7(9) . . ?
C5 C4 P1 121.1(10) . . ?
C28 C27 C26 120.2(12) . . ?
C28 C27 H27 119.9 . . ?
C26 C27 H27 119.9 . . ?
B31 B27 B22 106.3(12) . . ?
B31 B27 B26 60.4(9) . . ?
B22 B27 B26 59.0(9) . . ?
B31 B27 B28 107.5(11) . . ?
B22 B27 B28 59.6(9) . . ?
B26 B27 B28 107.9(11) . . ?
B31 B27 B32 59.4(8) . . ?
B22 B27 B32 106.9(11) . . ?
B26 B27 B32 108.2(11) . . ?
B28 B27 B32 60.3(8) . . ?
B31 B27 H27A 122.3 . . ?
B22 B27 H27A 123.1 . . ?
B26 B27 H27A 121.5 . . ?
B28 B27 H27A 121.6 . . ?
B32 B27 H27A 121.8 . . ?
C38 C37 C42 120.2(11) . . ?
C38 C37 P2 122.1(10) . . ?
C42 C37 P2 117.6(9) . . ?
C6 C5 C4 119.5(13) . . ?
C6 C5 H5 120.2 . . ?
C4 C5 H5 120.2 . . ?
C1 B5 B4 59.8(8) . . ?
C1 B5 B10 104.7(10) . . ?
B4 B5 B10 58.0(8) . . ?
C1 B5 B6 58.9(8) . . ?
B4 B5 B6 108.3(11) . . ?
B10 B5 B6 108.3(10) . . ?
C1 B5 B11 106.2(10) . . ?
B4 B5 B11 107.1(10) . . ?
B10 B5 B11 60.1(8) . . ?
B6 B5 B11 61.1(8) . . ?
C1 B5 H5A 123.8 . . ?
B4 B5 H5A 122.2 . . ?
B10 B5 H5A 123.1 . . ?
B6 B5 H5A 120.9 . . ?
B11 B5 H5A 121.8 . . ?
C7 C6 C5 120.6(14) . . ?
C7 C6 H6 119.7 . . ?
C5 C6 H6 119.7 . . ?
C1 B6 B2 59.7(8) . . ?
C1 B6 B7 107.0(11) . . ?
B2 B6 B7 62.8(8) . . ?
C1 B6 B5 58.1(8) . . ?
B2 B6 B5 109.0(11) . . ?
B7 B6 B5 107.9(10) . . ?
C1 B6 B11 104.4(10) . . ?
B2 B6 B11 109.7(10) . . ?
B7 B6 B11 59.3(8) . . ?
B5 B6 B11 59.5(8) . . ?
C1 B6 H6A 124.4 . . ?
B2 B6 H6A 119.4 . . ?
B7 B6 H6A 121.2 . . ?
B5 B6 H6A 122.1 . . ?
B11 B6 H6A 122.8 . . ?
C37 C38 C39 120.8(12) . . ?
C37 C38 H38 119.6 . . ?
C39 C38 H38 119.6 . . ?
B6 B7 B11 61.5(8) . . ?
B6 B7 B8 106.1(10) . . ?
B11 B7 B8 108.1(11) . . ?
B6 B7 B12 108.4(10) . . ?
B11 B7 B12 59.8(8) . . ?
B8 B7 B12 60.6(8) . . ?
B6 B7 B2 57.8(8) . . ?
B11 B7 B2 107.6(10) . . ?
B8 B7 B2 59.5(8) . . ?
B12 B7 B2 107.9(10) . . ?
B6 B7 H7 122.4 . . ?
B11 B7 H7 121.1 . . ?
B8 B7 H7 122.2 . . ?
B12 B7 H7 121.2 . . ?
B2 B7 H7 122.8 . . ?
C6 C7 C8 121.3(13) . . ?
C6 C7 H7A 119.3 . . ?
C8 C7 H7A 119.3 . . ?
C40 C41 C42 119.5(13) . . ?
C40 C41 H41 120.2 . . ?
C42 C41 H41 120.2 . . ?
B3 B8 B9 59.9(8) . . ?
B3 B8 B2 59.7(8) . . ?
B9 B8 B2 107.8(10) . . ?
B3 B8 B7 108.3(10) . . ?
B9 B8 B7 107.5(11) . . ?
B2 B8 B7 61.0(8) . . ?
B3 B8 B12 107.5(10) . . ?
B9 B8 B12 59.3(8) . . ?
B2 B8 B12 108.7(10) . . ?
B7 B8 B12 60.1(8) . . ?
B3 B8 H8 121.9 . . ?
B9 B8 H8 122.3 . . ?
B2 B8 H8 121.2 . . ?
B7 B8 H8 121.3 . . ?
B12 B8 H8 121.9 . . ?
C7 C8 C9 119.2(13) . . ?
C7 C8 H8A 120.4 . . ?
C9 C8 H8A 120.4 . . ?
C4 C9 C8 119.3(13) . . ?
C4 C9 H9 120.4 . . ?
C8 C9 H9 120.4 . . ?
B3 B9 B8 59.7(8) . . ?
B3 B9 B12 109.4(10) . . ?
B8 B9 B12 61.8(8) . . ?
B3 B9 B4 62.0(8) . . ?
B8 B9 B4 108.6(10) . . ?
B12 B9 B4 106.4(11) . . ?
B3 B9 B10 107.5(10) . . ?
B8 B9 B10 108.3(11) . . ?
B12 B9 B10 59.7(8) . . ?
B4 B9 B10 57.0(8) . . ?
B3 B9 H9A 120.7 . . ?
B8 B9 H9A 120.8 . . ?
B12 B9 H9A 121.3 . . ?
B4 B9 H9A 122.6 . . ?
B10 B9 H9A 123.1 . . ?
C29 C30 C25 120.0(11) . . ?
C29 C30 H30 120.0 . . ?
C25 C30 H30 120.0 . . ?
B25 B30 B31 58.7(9) . . ?
B25 B30 B32 110.1(11) . . ?
B31 B30 B32 61.2(9) . . ?
B25 B30 B29 111.7(11) . . ?
B31 B30 B29 110.2(11) . . ?
B32 B30 B29 61.8(8) . . ?
B25 B30 B24 62.5(9) . . ?
B31 B30 B24 108.4(11) . . ?
B32 B30 B24 110.1(11) . . ?
B29 B30 B24 60.4(9) . . ?
B25 B30 H30A 120.0 . . ?
B31 B30 H30A 121.9 . . ?
B32 B30 H30A 120.0 . . ?
B29 B30 H30A 119.6 . . ?
B24 B30 H30A 120.8 . . ?
C33 C34 C35 120.0(12) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
C34 C33 C32 120.2(12) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
C41 C40 C39 123.4(13) . . ?
C41 C40 H40 118.3 . . ?
C39 C40 H40 118.3 . . ?
C15 C10 C11 116.7(12) . . ?
C15 C10 P1 120.4(9) . . ?
C11 C10 P1 122.8(10) . . ?
B4 B10 B5 60.0(8) . . ?
B4 B10 B12 109.7(10) . . ?
B5 B10 B12 108.8(10) . . ?
B4 B10 B11 108.8(10) . . ?
B5 B10 B11 60.2(8) . . ?
B12 B10 B11 60.3(8) . . ?
B4 B10 B9 61.0(8) . . ?
B5 B10 B9 108.0(10) . . ?
B12 B10 B9 59.7(8) . . ?
B11 B10 B9 107.5(10) . . ?
B4 B10 H10 120.6 . . ?
B5 B10 H10 121.7 . . ?
B12 B10 H10 121.0 . . ?
B11 B10 H10 121.8 . . ?
B9 B10 H10 122.0 . . ?
C40 C39 C38 116.3(13) . . ?
C40 C39 H39 121.9 . . ?
C38 C39 H39 121.9 . . ?
C12 C11 C10 120.1(13) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
B7 B11 B10 108.5(11) . . ?
B7 B11 B5 107.7(10) . . ?
B10 B11 B5 59.8(8) . . ?
B7 B11 B12 61.4(8) . . ?
B10 B11 B12 59.8(8) . . ?
B5 B11 B12 108.1(10) . . ?
B7 B11 B6 59.2(8) . . ?
B10 B11 B6 106.8(10) . . ?
B5 B11 B6 59.4(8) . . ?
B12 B11 B6 107.9(11) . . ?
B7 B11 H11A 121.2 . . ?
B10 B11 H11A 122.1 . . ?
B5 B11 H11A 122.0 . . ?
B12 B11 H11A 121.2 . . ?
B6 B11 H11A 122.7 . . ?
C11 C12 C13 119.8(13) . . ?
C11 C12 H12 120.1 . . ?
C13 C12 H12 120.1 . . ?
C2 B12 B10 123.9(11) . . ?
C2 B12 B9 122.7(11) . . ?
B10 B12 B9 60.6(8) . . ?
C2 B12 B11 122.6(11) . . ?
B10 B12 B11 59.9(8) . . ?
B9 B12 B11 108.0(9) . . ?
C2 B12 B7 121.2(10) . . ?
B10 B12 B7 106.6(9) . . ?
B9 B12 B7 106.6(10) . . ?
B11 B12 B7 58.8(8) . . ?
C2 B12 B8 121.5(11) . . ?
B10 B12 B8 106.8(9) . . ?
B9 B12 B8 58.9(8) . . ?
B11 B12 B8 106.3(9) . . ?
B7 B12 B8 59.3(8) . . ?
C35 C36 C31 119.3(11) . . ?
C35 C36 H36 120.3 . . ?
C31 C36 H36 120.3 . . ?
C14 C13 C12 120.8(13) . . ?
C14 C13 H13 119.6 . . ?
C12 C13 H13 119.6 . . ?
C13 C14 C15 120.0(13) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C17 C16 C21 120.1(11) . . ?
C17 C16 P1 118.6(9) . . ?
C21 C16 P1 121.2(10) . . ?
C14 C15 C10 122.4(13) . . ?
C14 C15 H15 118.8 . . ?
C10 C15 H15 118.8 . . ?
C18 C19 C20 118.5(12) . . ?
C18 C19 H19 120.7 . . ?
C20 C19 H19 120.7 . . ?
C17 C18 C19 121.5(12) . . ?
C17 C18 H18 119.3 . . ?
C19 C18 H18 119.3 . . ?
O1 C59 C60 107.2(10) . . ?
O1 C59 H59A 110.3 . . ?
C60 C59 H59A 110.3 . . ?
O1 C59 H59B 110.3 . . ?
C60 C59 H59B 110.3 . . ?
H59A C59 H59B 108.5 . . ?
C31 C32 C33 120.5(12) . . ?
C31 C32 H32 119.7 . . ?
C33 C32 H32 119.7 . . ?
C23 B32 B30 122.4(11) . . ?
C23 B32 B31 122.9(11) . . ?
B30 B32 B31 59.3(8) . . ?
C23 B32 B29 121.6(11) . . ?
B30 B32 B29 59.4(8) . . ?
B31 B32 B29 106.9(10) . . ?
C23 B32 B27 123.3(11) . . ?
B30 B32 B27 106.2(10) . . ?
B31 B32 B27 59.4(9) . . ?
B29 B32 B27 106.7(9) . . ?
C23 B32 B28 122.3(11) . . ?
B30 B32 B28 106.5(10) . . ?
B31 B32 B28 106.9(10) . . ?
B29 B32 B28 59.4(8) . . ?
B27 B32 B28 59.6(8) . . ?
C59 C60 C61 103.9(10) . . ?
C59 C60 H60A 111.0 . . ?
C61 C60 H60A 111.0 . . ?
C59 C60 H60B 111.0 . . ?
C61 C60 H60B 111.0 . . ?
H60A C60 H60B 109.0 . . ?
O1 C62 C61 106.6(11) . . ?
O1 C62 H62A 110.4 . . ?
C61 C62 H62A 110.4 . . ?
O1 C62 H62B 110.4 . . ?
C61 C62 H62B 110.4 . . ?
H62A C62 H62B 108.6 . . ?
C36 C35 C34 119.3(12) . . ?
C36 C35 H35 120.4 . . ?
C34 C35 H35 120.4 . . ?
C37 C42 C41 119.8(12) . . ?
C37 C42 H42 120.1 . . ?
C41 C42 H42 120.1 . . ?
C18 C17 C16 119.7(11) . . ?
C18 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
C20 C21 C16 119.3(12) . . ?
C20 C21 H21 120.3 . . ?
C16 C21 H21 120.3 . . ?
C21 C20 C19 120.8(12) . . ?
C21 C20 H20 119.6 . . ?
C19 C20 H20 119.6 . . ?
C23 C24 Au2 177.6(11) . . ?
C22 B24 B23 60.2(9) . . ?
C22 B24 B29 105.2(11) . . ?
B23 B24 B29 59.1(9) . . ?
C22 B24 B30 103.2(11) . . ?
B23 B24 B30 105.9(11) . . ?
B29 B24 B30 59.2(8) . . ?
C22 B24 B25 60.7(9) . . ?
B23 B24 B25 109.5(12) . . ?
B29 B24 B25 106.1(11) . . ?
B30 B24 B25 56.7(8) . . ?
C22 B24 H24 123.4 . . ?
B23 B24 H24 121.1 . . ?
B29 B24 H24 123.2 . . ?
B30 B24 H24 125.0 . . ?
B25 B24 H24 121.7 . . ?
C24 C23 B32 176.4(14) . . ?
C22 B23 B22 57.3(9) . . ?
C22 B23 B28 105.2(10) . . ?
B22 B23 B28 61.7(10) . . ?
C22 B23 B29 104.0(10) . . ?
B22 B23 B29 109.8(12) . . ?
B28 B23 B29 61.8(9) . . ?
C22 B23 B24 56.8(8) . . ?
B22 B23 B24 106.3(12) . . ?
B28 B23 B24 110.0(10) . . ?
B29 B23 B24 60.8(9) . . ?
C22 B23 H23 126.4 . . ?
B22 B23 H23 121.5 . . ?
B28 B23 H23 120.2 . . ?
B29 B23 H23 121.2 . . ?
B24 B23 H23 122.0 . . ?
B22 C22 B24 115.3(12) . . ?
B22 C22 B26 63.6(10) . . ?
B24 C22 B26 117.5(11) . . ?
B22 C22 B23 61.6(10) . . ?
B24 C22 B23 63.0(9) . . ?
B26 C22 B23 115.3(10) . . ?
B22 C22 B25 114.2(12) . . ?
B24 C22 B25 63.8(9) . . ?
B26 C22 B25 62.8(9) . . ?
B23 C22 B25 114.3(10) . . ?
B22 C22 H22 118.1 . . ?
B24 C22 H22 116.0 . . ?
B26 C22 H22 116.2 . . ?
B23 C22 H22 118.4 . . ?
B25 C22 H22 118.0 . . ?
C22 B22 B23 61.1(10) . . ?
C22 B22 B26 58.8(9) . . ?
B23 B22 B26 110.8(13) . . ?
C22 B22 B28 106.3(13) . . ?
B23 B22 B28 59.4(10) . . ?
B26 B22 B28 110.3(13) . . ?
C22 B22 B27 105.2(13) . . ?
B23 B22 B27 108.8(13) . . ?
B26 B22 B27 60.7(10) . . ?
B28 B22 B27 60.8(10) . . ?
C22 B22 H22A 123.9 . . ?
B23 B22 H22A 120.2 . . ?
B26 B22 H22A 120.0 . . ?
B28 B22 H22A 121.6 . . ?
B27 B22 H22A 122.2 . . ?
C62 C61 C60 102.1(11) . . ?
C62 C61 H61A 111.3 . . ?
C60 C61 H61A 111.3 . . ?
C62 C61 H61B 111.3 . . ?
C60 C61 H61B 111.3 . . ?
H61A C61 H61B 109.2 . . ?
C26 C25 C30 117.8(11) . . ?
C26 C25 P2 119.8(9) . . ?
C30 C25 P2 122.4(9) . . ?
B31 B25 B30 61.8(9) . . ?
B31 B25 C22 103.8(11) . . ?
B30 B25 C22 102.4(11) . . ?
B31 B25 B26 61.9(9) . . ?
B30 B25 B26 109.6(12) . . ?
C22 B25 B26 56.4(8) . . ?
B31 B25 B24 109.6(12) . . ?
B30 B25 B24 60.8(9) . . ?
C22 B25 B24 55.5(8) . . ?
B26 B25 B24 104.9(11) . . ?
B31 B25 H25 120.3 . . ?
B30 B25 H25 121.4 . . ?
C22 B25 H25 128.0 . . ?
B26 B25 H25 121.9 . . ?
B24 B25 H25 122.7 . . ?
C25 C26 C27 121.2(12) . . ?
C25 C26 H26 119.4 . . ?
C27 C26 H26 119.4 . . ?
C22 B26 B22 57.6(9) . . ?
C22 B26 B27 104.1(11) . . ?
B22 B26 B27 60.3(10) . . ?
C22 B26 B25 60.8(9) . . ?
B22 B26 B25 107.9(12) . . ?
B27 B26 B25 105.5(11) . . ?
C22 B26 B31 102.9(11) . . ?
B22 B26 B31 106.6(12) . . ?
B27 B26 B31 59.5(9) . . ?
B25 B26 B31 56.3(9) . . ?
C22 B26 H26A 124.6 . . ?
B22 B26 H26A 121.6 . . ?
B27 B26 H26A 123.0 . . ?
B25 B26 H26A 122.4 . . ?
B31 B26 H26A 124.5 . . ?
C28 C29 C30 121.1(11) . . ?
C28 C29 H29 119.4 . . ?
C30 C29 H29 119.4 . . ?
B23 B29 B30 107.7(11) . . ?
B23 B29 B24 60.1(9) . . ?
B30 B29 B24 60.4(8) . . ?
B23 B29 B28 58.8(9) . . ?
B30 B29 B28 106.9(10) . . ?
B24 B29 B28 107.2(11) . . ?
B23 B29 B32 107.7(10) . . ?
B30 B29 B32 58.8(8) . . ?
B24 B29 B32 107.7(10) . . ?
B28 B29 B32 60.7(8) . . ?
B23 B29 H29A 122.1 . . ?
B30 B29 H29A 122.3 . . ?
B24 B29 H29A 121.6 . . ?
B28 B29 H29A 122.4 . . ?
B32 B29 H29A 121.9 . . ?
C29 C28 C27 119.7(12) . . ?
C29 C28 H28 120.2 . . ?
C27 C28 H28 120.2 . . ?
B23 B28 B22 58.9(10) . . ?
B23 B28 B29 59.4(8) . . ?
B22 B28 B29 105.7(12) . . ?
B23 B28 B27 107.4(11) . . ?
B22 B28 B27 59.6(9) . . ?
B29 B28 B27 107.5(10) . . ?
B23 B28 B32 107.5(10) . . ?
B22 B28 B32 106.8(11) . . ?
B29 B28 B32 59.9(8) . . ?
B27 B28 B32 60.1(8) . . ?
B23 B28 H28A 122.3 . . ?
B22 B28 H28A 123.2 . . ?
B29 B28 H28A 122.6 . . ?
B27 B28 H28A 121.7 . . ?
B32 B28 H28A 121.9 . . ?

_refine_diff_density_max         10.268
_refine_diff_density_min         -7.981
_refine_diff_density_rms         0.333



####################################################################### 
# 
# 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_AgPPh32CB11H11CC_MeCN2
_database_code_depnum_ccdc_archive 'CCDC 1856199'
loop_
_audit_author_name
_audit_author_address
'Maik Finze'
;University of W?rzburg
Germany
;
_audit_update_record             
;
2018-07-16 deposited with the CCDC.	2019-07-10 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C78 H82 Ag4 B22 P4, 4(C2 H3 N)'
_chemical_formula_sum            'C86 H94 Ag4 B22 N4 P4'
_chemical_formula_weight         1976.83

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'
B B 0.0013 0.0007 '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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   13.5094(5)
_cell_length_b                   16.2013(7)
_cell_length_c                   20.8836(8)
_cell_angle_alpha                90
_cell_angle_beta                 91.9370(10)
_cell_angle_gamma                90
_cell_volume                     4568.2(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9980
_cell_measurement_theta_min      2.215
_cell_measurement_theta_max      26.033
_exptl_special_details           
;
The crystal was immersed in a film of perfluoropolyether oil, mounted on a 
polyimide microloop (MicroMounts of MiTeGen) and transferred to stream of cold 
nitrogen (Oxford Cryostream 700).
;
_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.437
_exptl_crystal_F_000             1992
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_exptl_absorpt_coefficient_mu    0.961
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6943
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_process_details   'SadAbs 2012/1 (Bruker AXS)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_source                   'rotating-anode (Nonius FR-591)'
_diffrn_measurement_device_type  'Bruker X8-APEX II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            29492
_diffrn_reflns_av_unetI/netI     0.0285
_diffrn_reflns_av_R_equivalents  0.0249
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.591
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_full        25.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             8955
_reflns_number_gt                7815
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'APEX2 ver. 2014.9 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. V8.34A (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. V8.34A (Bruker AXS)'
_computing_structure_solution    'SHELXT (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'ShelXLe (Huebschle et all, 2011)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_refine_special_details          
;
Refinement of F² against ALL reflections. The weighted R-factor wR and 
goodness of fit S are based on F², conventional R-factors R are based on F, 
with F set to zero for negative F². The threshold expression of F² > 
2sigma(F²) is used only for calculating R-factors(gt) etc. and is not 
relevant to the choice of reflections for refinement. R-factors based on F² 
are statistically about twice as large as those based on F, and R-factors 
based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0280P)²+0.5851P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     iterative
_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         8955
_refine_ls_number_parameters     543
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0300
_refine_ls_R_factor_gt           0.0235
_refine_ls_wR_factor_ref         0.0579
_refine_ls_wR_factor_gt          0.0558
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_restrained_S_all      1.085
_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
Ag1 Ag 0.42754(2) 0.49502(2) 0.35679(2) 0.01684(5) Uani 1 1 d . . . . .
P1 P 0.41274(4) 0.52650(3) 0.24569(2) 0.01327(11) Uani 1 1 d . . . . .
C4 C 0.48806(13) 0.46184(13) 0.19578(9) 0.0152(4) Uani 1 1 d . . . . .
C5 C 0.53198(14) 0.39175(13) 0.22252(10) 0.0191(4) Uani 1 1 d . . . . .
H5A H 0.5228 0.3792 0.2654 0.023 Uiso 1 1 calc R U . . .
C6 C 0.58926(15) 0.34044(14) 0.18585(11) 0.0252(5) Uani 1 1 d . . . . .
H6A H 0.6187 0.2938 0.2042 0.030 Uiso 1 1 calc R U . . .
C7 C 0.60289(15) 0.35834(15) 0.12191(11) 0.0273(5) Uani 1 1 d . . . . .
H7A H 0.6405 0.3234 0.0971 0.033 Uiso 1 1 calc R U . . .
C8 C 0.56032(16) 0.42817(15) 0.09532(10) 0.0267(5) Uani 1 1 d . . . . .
H8A H 0.5700 0.4404 0.0525 0.032 Uiso 1 1 calc R U . . .
C9 C 0.50339(15) 0.48030(13) 0.13140(10) 0.0209(5) Uani 1 1 d . . . . .
H9A H 0.4754 0.5274 0.1130 0.025 Uiso 1 1 calc R U . . .
C10 C 0.28510(14) 0.51659(12) 0.21513(9) 0.0154(4) Uani 1 1 d . . . . .
C11 C 0.25806(15) 0.53918(15) 0.15215(10) 0.0242(5) Uani 1 1 d . . . . .
H11A H 0.3060 0.5569 0.1243 0.029 Uiso 1 1 calc R U . . .
C12 C 0.15963(16) 0.53502(16) 0.13168(11) 0.0316(6) Uani 1 1 d . . . . .
H12A H 0.1418 0.5491 0.0897 0.038 Uiso 1 1 calc R U . . .
C13 C 0.08788(16) 0.51022(15) 0.17286(12) 0.0303(6) Uani 1 1 d . . . . .
H13A H 0.0218 0.5090 0.1589 0.036 Uiso 1 1 calc R U . . .
C14 C 0.11378(16) 0.48734(15) 0.23444(12) 0.0290(5) Uani 1 1 d . . . . .
H14A H 0.0654 0.4697 0.2620 0.035 Uiso 1 1 calc R U . . .
C15 C 0.21293(15) 0.49051(13) 0.25573(10) 0.0217(5) Uani 1 1 d . . . . .
H15A H 0.2303 0.4750 0.2975 0.026 Uiso 1 1 calc R U . . .
C16 C 0.44313(14) 0.63211(12) 0.22357(8) 0.0137(4) Uani 1 1 d . . . . .
C17 C 0.37121(14) 0.69320(13) 0.22467(9) 0.0193(4) Uani 1 1 d . . . . .
H17A H 0.3073 0.6799 0.2362 0.023 Uiso 1 1 calc R U . . .
C18 C 0.39386(15) 0.77355(14) 0.20877(10) 0.0246(5) Uani 1 1 d . . . . .
H18A H 0.3451 0.8140 0.2095 0.030 Uiso 1 1 calc R U . . .
C19 C 0.48901(15) 0.79405(14) 0.19176(10) 0.0227(5) Uani 1 1 d . . . . .
H19A H 0.5040 0.8479 0.1802 0.027 Uiso 1 1 calc R U . . .
C20 C 0.56143(14) 0.73379(13) 0.19206(9) 0.0192(4) Uani 1 1 d . . . . .
H20A H 0.6257 0.7475 0.1814 0.023 Uiso 1 1 calc R U . . .
C21 C 0.53909(14) 0.65356(13) 0.20809(9) 0.0168(4) Uani 1 1 d . . . . .
H21A H 0.5885 0.6135 0.2086 0.020 Uiso 1 1 calc R U . . .
Ag2 Ag 0.52223(2) 0.39803(2) 0.50967(2) 0.01753(5) Uani 1 1 d . . . . .
P2 P 0.59273(4) 0.26659(3) 0.53704(2) 0.01379(11) Uani 1 1 d . . . . .
C22 C 0.69504(13) 0.27192(13) 0.59553(9) 0.0138(4) Uani 1 1 d . . . . .
C23 C 0.72094(14) 0.20664(13) 0.63659(9) 0.0170(4) Uani 1 1 d . . . . .
H23A H 0.6825 0.1590 0.6368 0.020 Uiso 1 1 calc R U . . .
C24 C 0.80391(14) 0.21313(14) 0.67680(9) 0.0202(5) Uani 1 1 d . . . . .
H24A H 0.8213 0.1696 0.7040 0.024 Uiso 1 1 calc R U . . .
C25 C 0.86133(14) 0.28391(14) 0.67697(9) 0.0212(5) Uani 1 1 d . . . . .
H25A H 0.9169 0.2879 0.7044 0.025 Uiso 1 1 calc R U . . .
C26 C 0.83625(14) 0.34873(13) 0.63649(9) 0.0192(4) Uani 1 1 d . . . . .
H26A H 0.8753 0.3960 0.6364 0.023 Uiso 1 1 calc R U . . .
C27 C 0.75297(13) 0.34333(13) 0.59604(9) 0.0158(4) Uani 1 1 d . . . . .
H27A H 0.7357 0.3873 0.5693 0.019 Uiso 1 1 calc R U . . .
C28 C 0.50545(13) 0.19284(13) 0.56950(9) 0.0149(4) Uani 1 1 d . . . . .
C29 C 0.46404(14) 0.21011(14) 0.62830(9) 0.0202(5) Uani 1 1 d . . . . .
H29A H 0.4861 0.2555 0.6520 0.024 Uiso 1 1 calc R U . . .
C30 C 0.39038(15) 0.16013(14) 0.65147(10) 0.0236(5) Uani 1 1 d . . . . .
H30A H 0.3631 0.1721 0.6907 0.028 Uiso 1 1 calc R U . . .
C31 C 0.35727(15) 0.09263(14) 0.61667(10) 0.0229(5) Uani 1 1 d . . . . .
H31A H 0.3074 0.0594 0.6323 0.027 Uiso 1 1 calc R U . . .
C32 C 0.39814(16) 0.07435(14) 0.55876(10) 0.0256(5) Uani 1 1 d . . . . .
H32A H 0.3764 0.0284 0.5356 0.031 Uiso 1 1 calc R U . . .
C33 C 0.47188(15) 0.12448(14) 0.53495(9) 0.0213(5) Uani 1 1 d . . . . .
H33A H 0.4989 0.1122 0.4957 0.026 Uiso 1 1 calc R U . . .
C34 C 0.64373(14) 0.21296(13) 0.46888(9) 0.0167(4) Uani 1 1 d . . . . .
C35 C 0.71890(15) 0.15482(14) 0.47556(10) 0.0226(5) Uani 1 1 d . . . . .
H35A H 0.7465 0.1432 0.5160 0.027 Uiso 1 1 calc R U . . .
C36 C 0.75315(16) 0.11393(15) 0.42228(11) 0.0287(5) Uani 1 1 d . . . . .
H36A H 0.8039 0.0753 0.4269 0.034 Uiso 1 1 calc R U . . .
C37 C 0.71142(17) 0.13090(15) 0.36230(10) 0.0287(5) Uani 1 1 d . . . . .
H37A H 0.7342 0.1034 0.3266 0.034 Uiso 1 1 calc R U . . .
C38 C 0.63719(18) 0.18763(16) 0.35509(10) 0.0320(6) Uani 1 1 d . . . . .
H38A H 0.6087 0.1979 0.3147 0.038 Uiso 1 1 calc R U . . .
C39 C 0.60411(16) 0.23012(15) 0.40831(10) 0.0257(5) Uani 1 1 d . . . . .
H39A H 0.5552 0.2702 0.4031 0.031 Uiso 1 1 calc R U . . .
C1 C 0.15470(14) 0.45831(14) 0.68708(9) 0.0199(5) Uani 1 1 d . . . . .
H1 H 0.1083 0.4574 0.7294 0.024 Uiso 1 1 calc R U . . .
B2 B 0.27779(16) 0.47910(15) 0.69825(11) 0.0166(5) Uani 1 1 d . . . . .
H2 H 0.3146 0.4917 0.7450 0.020 Uiso 1 1 calc R U . . .
B3 B 0.23578(16) 0.37841(15) 0.67761(11) 0.0173(5) Uani 1 1 d . . . . .
H3 H 0.2455 0.3261 0.7108 0.021 Uiso 1 1 calc R U . . .
B4 B 0.12775(17) 0.38908(16) 0.62750(11) 0.0198(5) Uani 1 1 d . . . . .
H4 H 0.0674 0.3435 0.6283 0.024 Uiso 1 1 calc R U . . .
B5 B 0.10333(18) 0.49631(16) 0.61734(11) 0.0219(5) Uani 1 1 d . . . . .
H5 H 0.0272 0.5200 0.6115 0.026 Uiso 1 1 calc R U . . .
B6 B 0.19696(17) 0.55207(16) 0.66145(11) 0.0198(5) Uani 1 1 d . . . . .
H6 H 0.1815 0.6117 0.6842 0.024 Uiso 1 1 calc R U . . .
B7 B 0.33650(16) 0.42279(15) 0.63801(10) 0.0141(5) Uani 1 1 d . . . . .
H7 H 0.4124 0.3991 0.6447 0.017 Uiso 1 1 calc R U . . .
B8 B 0.24288(16) 0.36631(15) 0.59368(10) 0.0161(5) Uani 1 1 d . . . . .
H8 H 0.2580 0.3061 0.5717 0.019 Uiso 1 1 calc R U . . .
B9 B 0.16048(16) 0.43998(16) 0.55621(11) 0.0188(5) Uani 1 1 d . . . . .
H9 H 0.1222 0.4274 0.5099 0.023 Uiso 1 1 calc R U . . .
B10 B 0.20356(16) 0.54148(16) 0.57727(11) 0.0188(5) Uani 1 1 d . . . . .
H10 H 0.1933 0.5943 0.5447 0.023 Uiso 1 1 calc R U . . .
B11 B 0.31200(16) 0.53046(15) 0.62799(10) 0.0162(5) Uani 1 1 d . . . . .
H11 H 0.3720 0.5763 0.6282 0.019 Uiso 1 1 calc R U . . .
B12 B 0.29018(16) 0.46074(15) 0.56270(10) 0.0150(5) Uani 1 1 d . . . . .
C2 C 0.35345(13) 0.46461(12) 0.50205(9) 0.0142(4) Uani 1 1 d . . . . .
C3 C 0.39784(13) 0.47199(13) 0.45244(9) 0.0147(4) Uani 1 1 d . . . . .
C40 C 0.28812(19) 0.26374(18) 0.43197(12) 0.0420(7) Uani 1 1 d . . . . .
H40A H 0.2373 0.2238 0.4224 0.063 Uiso 1 1 calc R U . . .
H40B H 0.2585 0.3137 0.4470 0.063 Uiso 1 1 calc R U . . .
H40C H 0.3329 0.2423 0.4646 0.063 Uiso 1 1 calc R U . . .
C41 C 0.34242(17) 0.28114(16) 0.37427(11) 0.0310(6) Uani 1 1 d . . . . .
N1 N 0.38566(16) 0.29515(16) 0.33016(10) 0.0463(6) Uani 1 1 d . . . . .
C42 C 0.45894(19) 0.22881(18) -0.00958(14) 0.0470(7) Uani 1 1 d . . . . .
H42A H 0.3998 0.2271 -0.0364 0.070 Uiso 1 1 calc R U . . .
H42B H 0.4419 0.2413 0.0336 0.070 Uiso 1 1 calc R U . . .
H42C H 0.4915 0.1762 -0.0107 0.070 Uiso 1 1 calc R U . . .
C43 C 0.52473(16) 0.29214(15) -0.03273(10) 0.0248(5) Uani 1 1 d . . . . .
N2 N 0.57598(14) 0.34226(13) -0.05018(8) 0.0307(5) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 C3 2.0845(19) . ?
Ag1 P1 2.3773(5) . ?
Ag1 Ag2 3.3336(2) 3_666 ?
P1 C4 1.814(2) . ?
P1 C16 1.823(2) . ?
P1 C10 1.8253(19) . ?
C4 C5 1.390(3) . ?
C4 C9 1.399(3) . ?
C5 C6 1.384(3) . ?
C6 C7 1.385(3) . ?
C7 C8 1.378(3) . ?
C8 C9 1.383(3) . ?
C10 C15 1.380(3) . ?
C10 C11 1.402(3) . ?
C11 C12 1.385(3) . ?
C12 C13 1.377(3) . ?
C13 C14 1.372(3) . ?
C14 C15 1.398(3) . ?
C16 C17 1.388(3) . ?
C16 C21 1.391(3) . ?
C17 C18 1.380(3) . ?
C18 C19 1.386(3) . ?
C19 C20 1.382(3) . ?
C20 C21 1.378(3) . ?
Ag2 C3 2.3562(18) . ?
Ag2 P2 2.3942(5) . ?
Ag2 C3 2.484(2) 3_666 ?
Ag2 C2 2.5225(18) . ?
Ag2 Ag1 3.3335(2) 3_666 ?
Ag2 Ag2 3.3799(3) 3_666 ?
P2 C22 1.8153(18) . ?
P2 C34 1.823(2) . ?
P2 C28 1.825(2) . ?
C22 C27 1.397(3) . ?
C22 C23 1.399(3) . ?
C23 C24 1.382(3) . ?
C24 C25 1.384(3) . ?
C25 C26 1.383(3) . ?
C26 C27 1.387(3) . ?
C28 C33 1.390(3) . ?
C28 C29 1.395(3) . ?
C29 C30 1.383(3) . ?
C30 C31 1.379(3) . ?
C31 C32 1.378(3) . ?
C32 C33 1.390(3) . ?
C34 C39 1.385(3) . ?
C34 C35 1.389(3) . ?
C35 C36 1.388(3) . ?
C36 C37 1.384(3) . ?
C37 C38 1.365(3) . ?
C38 C39 1.394(3) . ?
C1 B2 1.705(3) . ?
C1 B4 1.705(3) . ?
C1 B5 1.707(3) . ?
C1 B3 1.712(3) . ?
C1 B6 1.715(3) . ?
B2 B11 1.762(3) . ?
B2 B7 1.764(3) . ?
B2 B6 1.767(3) . ?
B2 B3 1.775(3) . ?
B3 B7 1.769(3) . ?
B3 B8 1.769(3) . ?
B3 B4 1.775(3) . ?
B4 B8 1.769(3) . ?
B4 B9 1.771(3) . ?
B4 B5 1.780(4) . ?
B5 B9 1.768(3) . ?
B5 B10 1.774(3) . ?
B5 B6 1.785(3) . ?
B6 B11 1.761(3) . ?
B6 B10 1.772(3) . ?
B7 B12 1.782(3) . ?
B7 B11 1.786(3) . ?
B7 B8 1.793(3) . ?
B8 B12 1.788(3) . ?
B8 B9 1.794(3) . ?
B9 B12 1.785(3) . ?
B9 B10 1.794(4) . ?
B10 B11 1.787(3) . ?
B10 B12 1.788(3) . ?
B11 B12 1.787(3) . ?
B12 C2 1.553(3) . ?
C2 C3 1.220(3) . ?
C3 Ag2 2.484(2) 3_666 ?
C40 C41 1.459(3) . ?
C41 N1 1.130(3) . ?
C42 C43 1.451(3) . ?
C43 N2 1.135(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C3 Ag1 P1 163.97(5) . . ?
C3 Ag1 Ag2 48.05(6) . 3_666 ?
P1 Ag1 Ag2 135.481(15) . 3_666 ?
C4 P1 C16 105.12(9) . . ?
C4 P1 C10 106.85(9) . . ?
C16 P1 C10 102.25(9) . . ?
C4 P1 Ag1 113.99(6) . . ?
C16 P1 Ag1 115.88(6) . . ?
C10 P1 Ag1 111.70(7) . . ?
C5 C4 C9 119.05(19) . . ?
C5 C4 P1 118.76(15) . . ?
C9 C4 P1 122.19(16) . . ?
C6 C5 C4 120.5(2) . . ?
C5 C6 C7 120.2(2) . . ?
C8 C7 C6 119.6(2) . . ?
C7 C8 C9 120.9(2) . . ?
C8 C9 C4 119.7(2) . . ?
C15 C10 C11 119.30(18) . . ?
C15 C10 P1 119.40(15) . . ?
C11 C10 P1 121.22(15) . . ?
C12 C11 C10 119.6(2) . . ?
C13 C12 C11 120.7(2) . . ?
C14 C13 C12 120.1(2) . . ?
C13 C14 C15 120.0(2) . . ?
C10 C15 C14 120.3(2) . . ?
C17 C16 C21 118.95(19) . . ?
C17 C16 P1 120.11(15) . . ?
C21 C16 P1 120.88(15) . . ?
C18 C17 C16 120.51(19) . . ?
C17 C18 C19 120.2(2) . . ?
C20 C19 C18 119.5(2) . . ?
C21 C20 C19 120.43(19) . . ?
C20 C21 C16 120.38(19) . . ?
C3 Ag2 P2 147.62(5) . . ?
C3 Ag2 C3 91.45(6) . 3_666 ?
P2 Ag2 C3 120.86(4) . 3_666 ?
C3 Ag2 C2 28.71(6) . . ?
P2 Ag2 C2 138.32(5) . . ?
C3 Ag2 C2 92.29(6) 3_666 . ?
C3 Ag2 Ag1 106.35(5) . 3_666 ?
P2 Ag2 Ag1 101.214(13) . 3_666 ?
C3 Ag2 Ag1 38.63(4) 3_666 3_666 ?
C2 Ag2 Ag1 89.34(4) . 3_666 ?
C3 Ag2 Ag2 47.27(5) . 3_666 ?
P2 Ag2 Ag2 164.943(14) . 3_666 ?
C3 Ag2 Ag2 44.18(4) 3_666 3_666 ?
C2 Ag2 Ag2 54.40(5) . 3_666 ?
Ag1 Ag2 Ag2 67.801(6) 3_666 3_666 ?
C22 P2 C34 104.41(9) . . ?
C22 P2 C28 105.54(9) . . ?
C34 P2 C28 104.12(9) . . ?
C22 P2 Ag2 113.96(7) . . ?
C34 P2 Ag2 113.29(7) . . ?
C28 P2 Ag2 114.46(6) . . ?
C27 C22 C23 119.55(17) . . ?
C27 C22 P2 117.27(14) . . ?
C23 C22 P2 123.07(15) . . ?
C24 C23 C22 119.74(19) . . ?
C23 C24 C25 120.50(19) . . ?
C26 C25 C24 120.12(18) . . ?
C25 C26 C27 120.1(2) . . ?
C26 C27 C22 119.99(18) . . ?
C33 C28 C29 118.92(19) . . ?
C33 C28 P2 122.18(15) . . ?
C29 C28 P2 118.62(15) . . ?
C30 C29 C28 120.3(2) . . ?
C31 C30 C29 120.3(2) . . ?
C32 C31 C30 120.0(2) . . ?
C31 C32 C33 120.1(2) . . ?
C28 C33 C32 120.33(19) . . ?
C39 C34 C35 119.12(19) . . ?
C39 C34 P2 118.23(16) . . ?
C35 C34 P2 122.64(15) . . ?
C36 C35 C34 120.38(19) . . ?
C37 C36 C35 119.6(2) . . ?
C38 C37 C36 120.6(2) . . ?
C37 C38 C39 119.9(2) . . ?
C34 C39 C38 120.3(2) . . ?
B2 C1 B4 114.38(16) . . ?
B2 C1 B5 114.33(16) . . ?
B4 C1 B5 62.87(13) . . ?
B2 C1 B3 62.62(13) . . ?
B4 C1 B3 62.61(13) . . ?
B5 C1 B3 114.67(16) . . ?
B2 C1 B6 62.24(13) . . ?
B4 C1 B6 114.83(16) . . ?
B5 C1 B6 62.89(14) . . ?
B3 C1 B6 114.38(16) . . ?
C1 B2 B11 105.16(15) . . ?
C1 B2 B7 105.09(16) . . ?
B11 B2 B7 60.89(13) . . ?
C1 B2 B6 59.15(13) . . ?
B11 B2 B6 59.85(13) . . ?
B7 B2 B6 108.78(16) . . ?
C1 B2 B3 58.87(13) . . ?
B11 B2 B3 108.81(16) . . ?
B7 B2 B3 59.97(13) . . ?
B6 B2 B3 108.74(16) . . ?
C1 B3 B7 104.60(16) . . ?
C1 B3 B8 104.75(16) . . ?
B7 B3 B8 60.90(12) . . ?
C1 B3 B4 58.53(13) . . ?
B7 B3 B4 108.35(16) . . ?
B8 B3 B4 59.86(12) . . ?
C1 B3 B2 58.51(13) . . ?
B7 B3 B2 59.69(13) . . ?
B8 B3 B2 108.34(16) . . ?
B4 B3 B2 107.66(17) . . ?
C1 B4 B8 105.05(16) . . ?
C1 B4 B9 104.71(17) . . ?
B8 B4 B9 60.89(13) . . ?
C1 B4 B3 58.86(12) . . ?
B8 B4 B3 59.91(12) . . ?
B9 B4 B3 108.50(16) . . ?
C1 B4 B5 58.61(13) . . ?
B8 B4 B5 108.54(17) . . ?
B9 B4 B5 59.72(14) . . ?
B3 B4 B5 108.10(17) . . ?
C1 B5 B9 104.78(16) . . ?
C1 B5 B10 104.86(16) . . ?
B9 B5 B10 60.88(14) . . ?
C1 B5 B4 58.53(13) . . ?
B9 B5 B4 59.90(14) . . ?
B10 B5 B4 108.52(17) . . ?
C1 B5 B6 58.77(13) . . ?
B9 B5 B6 108.35(16) . . ?
B10 B5 B6 59.71(13) . . ?
B4 B5 B6 107.90(16) . . ?
C1 B6 B11 104.80(17) . . ?
C1 B6 B2 58.61(12) . . ?
B11 B6 B2 59.92(13) . . ?
C1 B6 B10 104.63(17) . . ?
B11 B6 B10 60.80(12) . . ?
B2 B6 B10 108.40(17) . . ?
C1 B6 B5 58.34(13) . . ?
B11 B6 B5 108.31(17) . . ?
B2 B6 B5 107.61(18) . . ?
B10 B6 B5 59.83(13) . . ?
B2 B7 B3 60.35(13) . . ?
B2 B7 B12 107.34(16) . . ?
B3 B7 B12 107.47(15) . . ?
B2 B7 B11 59.50(12) . . ?
B3 B7 B11 108.02(16) . . ?
B12 B7 B11 60.11(13) . . ?
B2 B7 B8 107.81(15) . . ?
B3 B7 B8 59.57(12) . . ?
B12 B7 B8 60.00(12) . . ?
B11 B7 B8 108.25(15) . . ?
B4 B8 B3 60.24(12) . . ?
B4 B8 B12 107.22(17) . . ?
B3 B8 B12 107.20(16) . . ?
B4 B8 B7 107.57(16) . . ?
B3 B8 B7 59.53(12) . . ?
B12 B8 B7 59.71(12) . . ?
B4 B8 B9 59.62(13) . . ?
B3 B8 B9 107.75(16) . . ?
B12 B8 B9 59.79(13) . . ?
B7 B8 B9 107.59(17) . . ?
B5 B9 B4 60.38(13) . . ?
B5 B9 B12 107.43(16) . . ?
B4 B9 B12 107.24(15) . . ?
B5 B9 B8 107.95(16) . . ?
B4 B9 B8 59.49(13) . . ?
B12 B9 B8 59.94(12) . . ?
B5 B9 B10 59.72(14) . . ?
B4 B9 B10 107.99(16) . . ?
B12 B9 B10 59.95(13) . . ?
B8 B9 B10 108.15(15) . . ?
B6 B10 B5 60.46(13) . . ?
B6 B10 B11 59.30(12) . . ?
B5 B10 B11 107.62(16) . . ?
B6 B10 B12 107.15(16) . . ?
B5 B10 B12 107.03(17) . . ?
B11 B10 B12 59.99(12) . . ?
B6 B10 B9 107.77(16) . . ?
B5 B10 B9 59.40(13) . . ?
B11 B10 B9 107.83(16) . . ?
B12 B10 B9 59.77(13) . . ?
B6 B11 B2 60.23(13) . . ?
B6 B11 B7 108.07(16) . . ?
B2 B11 B7 59.61(13) . . ?
B6 B11 B12 107.66(16) . . ?
B2 B11 B12 107.20(17) . . ?
B7 B11 B12 59.83(12) . . ?
B6 B11 B10 59.90(12) . . ?
B2 B11 B10 107.93(16) . . ?
B7 B11 B10 108.17(16) . . ?
B12 B11 B10 60.03(13) . . ?
C2 B12 B7 123.17(16) . . ?
C2 B12 B9 120.77(16) . . ?
B7 B12 B9 108.45(15) . . ?
C2 B12 B11 121.03(17) . . ?
B7 B12 B11 60.06(13) . . ?
B9 B12 B11 108.25(16) . . ?
C2 B12 B8 122.90(18) . . ?
B7 B12 B8 60.30(12) . . ?
B9 B12 B8 60.27(13) . . ?
B11 B12 B8 108.45(15) . . ?
C2 B12 B10 119.38(17) . . ?
B7 B12 B10 108.32(15) . . ?
B9 B12 B10 60.29(13) . . ?
B11 B12 B10 59.99(13) . . ?
B8 B12 B10 108.69(16) . . ?
C3 C2 B12 175.0(2) . . ?
C3 C2 Ag2 68.06(12) . . ?
B12 C2 Ag2 116.90(12) . . ?
C2 C3 Ag1 161.29(15) . . ?
C2 C3 Ag2 83.23(12) . . ?
Ag1 C3 Ag2 114.84(8) . . ?
C2 C3 Ag2 91.92(14) . 3_666 ?
Ag1 C3 Ag2 93.32(7) . 3_666 ?
Ag2 C3 Ag2 88.55(6) . 3_666 ?
N1 C41 C40 178.9(3) . . ?
N2 C43 C42 179.1(3) . . ?

_refine_diff_density_max         0.432
_refine_diff_density_min         -0.298
_refine_diff_density_rms         0.064

####################################################################### 
# 
# 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_[12-(Ph3PAg)CC-closo-1-CB11H11]DMSO
_database_code_depnum_ccdc_archive 'CCDC 1856198'
loop_
_audit_author_name
_audit_author_address
'Maik Finze'
;University of W?rzburg
Germany
;
_audit_update_record             
;
2018-07-16 deposited with the CCDC.	2019-07-10 downloaded from the CCDC.
;

#=================================================================
#DATA 1 [12-(Ph3PAg)CC-closo-1-CB11H11]DMSO
#=================================================================

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C82 H94 Ag4 B22 O2 P4 S2'
_chemical_formula_sum            'C82 H94 Ag4 B22 O2 P4 S2'
_chemical_formula_weight         1968.87

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'
B B 0.0013 0.0007 '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'
Ag Ag -0.8971 1.1015 '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'
S S 0.1246 0.1234 '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                   13.4734(9)
_cell_length_b                   16.7754(12)
_cell_length_c                   19.1508(13)
_cell_angle_alpha                90
_cell_angle_beta                 91.565(2)
_cell_angle_gamma                90
_cell_volume                     4326.9(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9793
_cell_measurement_theta_min      2.192
_cell_measurement_theta_max      26.9485
_exptl_special_details           
;
The crystal was immersed in a film of perfluoropolyether oil, mounted on a 
polyimide microloop (MicroMounts of MiTeGen) and transferred to stream of cold 
nitrogen (Oxford Cryostream 700).
;
_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.511
_exptl_crystal_F_000             1984
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_exptl_absorpt_coefficient_mu    1.061
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7162
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   'SadAbs 2014/5 (Bruker AXS)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_source                   'rotating-anode (Nonius FR-591)'
_diffrn_measurement_device_type  'Bruker X8-APEX II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector                 'CCD area detector (Apex2)'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            60612
_diffrn_reflns_av_unetI/netI     0.0258
_diffrn_reflns_av_R_equivalents  0.0365
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.614
_diffrn_reflns_theta_max         26.956
_diffrn_reflns_theta_full        26.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             9412
_reflns_number_gt                8087
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'APEX2 ver. 2014.9 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. V8.34A (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. V8.34A (Bruker AXS)'
_computing_structure_solution    'SHELXT (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'ShelXLe (Huebschle et all, 2011)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_refine_special_details          
;
Refinement of F² against ALL reflections. The weighted R-factor wR and 
goodness of fit S are based on F², conventional R-factors R are based on F, 
with F set to zero for negative F². The threshold expression of F² > 
2sigma(F²) is used only for calculating R-factors(gt) etc. and is not 
relevant to the choice of reflections for refinement. R-factors based on F² 
are statistically about twice as large as those based on F, and R-factors 
based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0186P)²+2.7481P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9412
_refine_ls_number_parameters     569
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0307
_refine_ls_R_factor_gt           0.0225
_refine_ls_wR_factor_ref         0.0505
_refine_ls_wR_factor_gt          0.0476
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag01 Ag 0.41873(2) 0.45766(2) 0.34841(2) 0.01575(4) Uani 1 1 d . . . . .
H1 H 0.1433(17) 0.6013(13) 0.7496(12) 0.029(6) Uiso 1 1 d . . . . .
B1 B 0.28461(15) 0.54087(12) 0.56610(11) 0.0130(4) Uani 1 1 d . . . . .
C1 C 0.17488(16) 0.58673(13) 0.70726(11) 0.0231(5) Uani 1 1 d . . . . .
O1 O 0.29478(11) 0.32444(9) 0.37745(7) 0.0250(3) Uani 1 1 d . . . . .
S1 S 0.23962(4) 0.33685(3) 0.44334(3) 0.02017(11) Uani 1 1 d . . . . .
Ag02 Ag 0.48039(2) 0.40544(2) 0.50914(2) 0.01769(4) Uani 1 1 d . . . . .
H2 H 0.2609(15) 0.7132(13) 0.6977(11) 0.022(6) Uiso 1 1 d . . . . .
P003 P 0.41069(3) 0.44961(3) 0.22434(2) 0.01287(10) Uani 1 1 d . . . . .
H3 H 0.0744(16) 0.6751(13) 0.6328(11) 0.028(6) Uiso 1 1 d . . . . .
P004 P 0.50116(4) 0.27509(3) 0.55578(3) 0.01479(10) Uani 1 1 d . . . . .
H4 H 0.0372(16) 0.5099(12) 0.6585(11) 0.024(6) Uiso 1 1 d . . . . .
C007 C 0.34227(13) 0.51665(10) 0.50062(10) 0.0125(4) Uani 1 1 d . . . . .
H7 H 0.2522(15) 0.6890(12) 0.5454(11) 0.021(6) Uiso 1 1 d . . . . .
H6 H 0.3356(16) 0.5721(13) 0.7615(12) 0.028(6) Uiso 1 1 d . . . . .
H5 H 0.1972(16) 0.4484(13) 0.7380(11) 0.024(6) Uiso 1 1 d . . . . .
C008 C 0.38721(13) 0.49687(10) 0.44904(10) 0.0131(4) Uani 1 1 d . . . . .
H8 H 0.4162(15) 0.6216(12) 0.6280(10) 0.017(5) Uiso 1 1 d . . . . .
C009 C 0.42373(13) 0.35286(11) 0.18310(10) 0.0143(4) Uani 1 1 d . . . . .
H9 H 0.1101(15) 0.5592(12) 0.5206(11) 0.021(6) Uiso 1 1 d . . . . .
C00A C 0.49013(13) 0.51753(11) 0.17800(10) 0.0143(4) Uani 1 1 d . . . . .
C00B C 0.47628(14) 0.29342(11) 0.21826(10) 0.0176(4) Uani 1 1 d . . . . .
H00B H 0.5032 0.3031 0.2627 0.021 Uiso 1 1 calc R U . . .
C00C C 0.56124(14) 0.20450(11) 0.49981(10) 0.0162(4) Uani 1 1 d . . . . .
C00D C 0.51563(14) 0.58829(11) 0.21134(11) 0.0181(4) Uani 1 1 d . . . . .
H00D H 0.4951 0.5976 0.2566 0.022 Uiso 1 1 calc R U . . .
C00E C 0.28688(14) 0.48114(11) 0.19697(10) 0.0160(4) Uani 1 1 d . . . . .
C00F C 0.57740(14) 0.27697(11) 0.63501(10) 0.0158(4) Uani 1 1 d . . . . .
C00G C 0.38771(14) 0.22637(11) 0.58080(10) 0.0165(4) Uani 1 1 d . . . . .
C00H C 0.52170(14) 0.50428(12) 0.11077(10) 0.0191(4) Uani 1 1 d . . . . .
H00H H 0.5057 0.4568 0.0880 0.023 Uiso 1 1 calc R U . . .
C00I C 0.62198(15) 0.14427(13) 0.52541(11) 0.0235(5) Uani 1 1 d . . . . .
H00I H 0.6324 0.1384 0.5733 0.028 Uiso 1 1 calc R U . . .
C00J C 0.20880(15) 0.44862(13) 0.23275(11) 0.0233(4) Uani 1 1 d . . . . .
H00J H 0.2215 0.4121 0.2684 0.028 Uiso 1 1 calc R U . . .
C00K C 0.36418(16) 0.14795(12) 0.56547(11) 0.0224(4) Uani 1 1 d . . . . .
H00K H 0.4092 0.1160 0.5424 0.027 Uiso 1 1 calc R U . . .
C00L C 0.38245(15) 0.33674(12) 0.11730(10) 0.0192(4) Uani 1 1 d . . . . .
H00L H 0.3454 0.3756 0.0938 0.023 Uiso 1 1 calc R U . . .
C00M C 0.70010(16) 0.28343(12) 0.75356(11) 0.0239(5) Uani 1 1 d . . . . .
H00M H 0.7416 0.2848 0.7931 0.029 Uiso 1 1 calc R U . . .
C00N C 0.26711(16) 0.53604(13) 0.14465(11) 0.0261(5) Uani 1 1 d . . . . .
H00N H 0.3189 0.5585 0.1203 0.031 Uiso 1 1 calc R U . . .
C00O C 0.72186(15) 0.32860(12) 0.69580(11) 0.0212(4) Uani 1 1 d . . . . .
H00O H 0.7776 0.3613 0.6966 0.025 Uiso 1 1 calc R U . . .
C00P C 0.54606(16) 0.21225(12) 0.42824(11) 0.0230(5) Uani 1 1 d . . . . .
H00P H 0.5041 0.2518 0.4105 0.028 Uiso 1 1 calc R U . . .
C00Q C 0.66078(14) 0.32529(12) 0.63661(11) 0.0191(4) Uani 1 1 d . . . . .
H00Q H 0.6758 0.3557 0.5977 0.023 Uiso 1 1 calc R U . . .
C00R C 0.48870(15) 0.21968(12) 0.18732(11) 0.0220(4) Uani 1 1 d . . . . .
H00R H 0.5236 0.1798 0.2112 0.026 Uiso 1 1 calc R U . . .
C00S C 0.39625(16) 0.26319(13) 0.08660(11) 0.0247(5) Uani 1 1 d . . . . .
H00S H 0.3694 0.2530 0.0423 0.030 Uiso 1 1 calc R U . . .
C00T C 0.55511(16) 0.23293(12) 0.69373(11) 0.0223(4) Uani 1 1 d . . . . .
H00T H 0.4986 0.2011 0.6937 0.027 Uiso 1 1 calc R U . . .
C00U C 0.27347(17) 0.11716(13) 0.58451(12) 0.0268(5) Uani 1 1 d . . . . .
H00U H 0.2573 0.0646 0.5736 0.032 Uiso 1 1 calc R U . . .
C00V C 0.57131(15) 0.64507(12) 0.17780(12) 0.0237(5) Uani 1 1 d . . . . .
H00V H 0.5884 0.6923 0.2006 0.028 Uiso 1 1 calc R U . . .
C00W C 0.60133(16) 0.63176(13) 0.11089(12) 0.0259(5) Uani 1 1 d . . . . .
H00W H 0.6382 0.6702 0.0881 0.031 Uiso 1 1 calc R U . . .
C00X C 0.61684(17) 0.23644(13) 0.75224(11) 0.0278(5) Uani 1 1 d . . . . .
H00X H 0.6018 0.2065 0.7914 0.033 Uiso 1 1 calc R U . . .
C00Y C 0.20727(16) 0.16364(13) 0.61944(11) 0.0239(5) Uani 1 1 d . . . . .
H00Y H 0.1462 0.1428 0.6317 0.029 Uiso 1 1 calc R U . . .
C010 C 0.65347(16) 0.10176(14) 0.40891(12) 0.0287(5) Uani 1 1 d . . . . .
H010 H 0.6850 0.0675 0.3784 0.034 Uiso 1 1 calc R U . . .
H10 H 0.1858(15) 0.4162(12) 0.5856(11) 0.018(5) Uiso 1 1 d . . . . .
C011 C 0.14461(16) 0.40765(13) 0.42348(12) 0.0262(5) Uani 1 1 d . . . . .
H01A H 0.1742 0.4581 0.4129 0.039 Uiso 1 1 calc R U . . .
H01B H 0.1028 0.4135 0.4630 0.039 Uiso 1 1 calc R U . . .
H01C H 0.1056 0.3896 0.3839 0.039 Uiso 1 1 calc R U . . .
H11 H 0.3774(16) 0.4559(12) 0.6539(11) 0.023(6) Uiso 1 1 d . . . . .
C012 C 0.23118(16) 0.24073(13) 0.63628(11) 0.0249(5) Uani 1 1 d . . . . .
H012 H 0.1872 0.2718 0.6611 0.030 Uiso 1 1 calc R U . . .
C013 C 0.32051(15) 0.27231(12) 0.61639(11) 0.0227(4) Uani 1 1 d . . . . .
H013 H 0.3358 0.3251 0.6270 0.027 Uiso 1 1 calc R U . . .
C014 C 0.44970(15) 0.20504(12) 0.12155(11) 0.0242(5) Uani 1 1 d . . . . .
H014 H 0.4595 0.1557 0.1006 0.029 Uiso 1 1 calc R U . . .
C015 C 0.11265(16) 0.46983(14) 0.21591(13) 0.0298(5) Uani 1 1 d . . . . .
H015 H 0.0606 0.4472 0.2399 0.036 Uiso 1 1 calc R U . . .
C016 C 0.66702(17) 0.09292(14) 0.48010(12) 0.0306(5) Uani 1 1 d . . . . .
H016 H 0.7069 0.0519 0.4976 0.037 Uiso 1 1 calc R U . . .
C017 C 0.57700(16) 0.56151(13) 0.07740(11) 0.0256(5) Uani 1 1 d . . . . .
H017 H 0.5978 0.5525 0.0322 0.031 Uiso 1 1 calc R U . . .
C018 C 0.59327(17) 0.16136(13) 0.38344(11) 0.0275(5) Uani 1 1 d . . . . .
H018 H 0.5841 0.1676 0.3354 0.033 Uiso 1 1 calc R U . . .
C019 C 0.15969(17) 0.25251(14) 0.45167(12) 0.0312(5) Uani 1 1 d . . . . .
H01D H 0.1207 0.2459 0.4094 0.047 Uiso 1 1 calc R U . . .
H01E H 0.1165 0.2608 0.4900 0.047 Uiso 1 1 calc R U . . .
H01F H 0.1990 0.2056 0.4601 0.047 Uiso 1 1 calc R U . . .
B01A B 0.31864(17) 0.49705(13) 0.64730(11) 0.0155(4) Uani 1 1 d . . . . .
B01B B 0.34304(16) 0.59948(13) 0.63214(12) 0.0156(4) Uani 1 1 d . . . . .
C01D C 0.17019(18) 0.55749(15) 0.12865(13) 0.0362(6) Uani 1 1 d . . . . .
H01G H 0.1569 0.5948 0.0937 0.043 Uiso 1 1 calc R U . . .
C01E C 0.09328(16) 0.52401(14) 0.16404(14) 0.0350(6) Uani 1 1 d . . . . .
H01H H 0.0281 0.5382 0.1527 0.042 Uiso 1 1 calc R U . . .
B01F B 0.15503(16) 0.56158(13) 0.56603(12) 0.0165(4) Uani 1 1 d . . . . .
B01G B 0.20219(16) 0.47337(13) 0.60663(12) 0.0165(4) Uani 1 1 d . . . . .
B01H B 0.24243(16) 0.63974(13) 0.58183(12) 0.0169(4) Uani 1 1 d . . . . .
B01I B 0.21124(18) 0.49028(14) 0.69742(12) 0.0209(5) Uani 1 1 d . . . . .
B01J B 0.13528(17) 0.63234(14) 0.63214(13) 0.0202(5) Uani 1 1 d . . . . .
B01K B 0.25117(17) 0.65599(14) 0.67327(12) 0.0199(5) Uani 1 1 d . . . . .
B01L B 0.11086(18) 0.53011(14) 0.64749(13) 0.0206(5) Uani 1 1 d . . . . .
B01M B 0.29816(18) 0.56801(14) 0.71275(12) 0.0209(5) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag01 C008 2.0909(19) . ?
Ag01 P003 2.3794(5) . ?
Ag01 Ag02 3.2851(3) . ?
B1 C007 1.547(3) . ?
B1 B01A 1.769(3) . ?
B1 B01B 1.770(3) . ?
B1 B01G 1.779(3) . ?
B1 B01F 1.780(3) . ?
B1 B01H 1.782(3) . ?
C1 B01M 1.691(3) . ?
C1 B01K 1.693(3) . ?
C1 B01J 1.702(3) . ?
C1 B01I 1.703(3) . ?
C1 B01L 1.704(3) . ?
C1 H1 0.96(2) . ?
O1 S1 1.4964(15) . ?
S1 C011 1.780(2) . ?
S1 C019 1.788(2) . ?
Ag02 C008 2.2747(18) . ?
Ag02 P004 2.3758(5) . ?
Ag02 C008 2.5360(18) 3_666 ?
Ag02 C007 2.6370(18) . ?
Ag02 Ag02 3.2368(4) 3_666 ?
P003 C00A 1.8120(19) . ?
P003 C00E 1.8137(19) . ?
P003 C009 1.8157(19) . ?
P004 C00C 1.804(2) . ?
P004 C00F 1.8093(19) . ?
P004 C00G 1.809(2) . ?
C007 C008 1.219(3) . ?
C008 Ag02 2.5360(18) 3_666 ?
C009 C00B 1.387(3) . ?
C009 C00L 1.390(3) . ?
C00A C00H 1.385(3) . ?
C00A C00D 1.387(3) . ?
C00B C00R 1.384(3) . ?
C00B H00B 0.9300 . ?
C00C C00I 1.382(3) . ?
C00C C00P 1.386(3) . ?
C00D C00V 1.382(3) . ?
C00D H00D 0.9300 . ?
C00E C00N 1.382(3) . ?
C00E C00J 1.383(3) . ?
C00F C00Q 1.385(3) . ?
C00F C00T 1.385(3) . ?
C00G C013 1.383(3) . ?
C00G C00K 1.383(3) . ?
C00H C017 1.383(3) . ?
C00H H00H 0.9300 . ?
C00I C016 1.376(3) . ?
C00I H00I 0.9300 . ?
C00J C015 1.373(3) . ?
C00J H00J 0.9300 . ?
C00K C00U 1.385(3) . ?
C00K H00K 0.9300 . ?
C00L C00S 1.381(3) . ?
C00L H00L 0.9300 . ?
C00M C00X 1.371(3) . ?
C00M C00O 1.379(3) . ?
C00M H00M 0.9300 . ?
C00N C01D 1.381(3) . ?
C00N H00N 0.9300 . ?
C00O C00Q 1.384(3) . ?
C00O H00O 0.9300 . ?
C00P C018 1.378(3) . ?
C00P H00P 0.9300 . ?
C00Q H00Q 0.9300 . ?
C00R C014 1.374(3) . ?
C00R H00R 0.9300 . ?
C00S C014 1.375(3) . ?
C00S H00S 0.9300 . ?
C00T C00X 1.378(3) . ?
C00T H00T 0.9300 . ?
C00U C00Y 1.372(3) . ?
C00U H00U 0.9300 . ?
C00V C00W 1.373(3) . ?
C00V H00V 0.9300 . ?
C00W C017 1.377(3) . ?
C00W H00W 0.9300 . ?
C00X H00X 0.9300 . ?
C00Y C012 1.369(3) . ?
C00Y H00Y 0.9300 . ?
C010 C018 1.369(3) . ?
C010 C016 1.378(3) . ?
C010 H010 0.9300 . ?
C011 H01A 0.9600 . ?
C011 H01B 0.9600 . ?
C011 H01C 0.9600 . ?
C012 C013 1.378(3) . ?
C012 H012 0.9300 . ?
C013 H013 0.9300 . ?
C014 H014 0.9300 . ?
C015 C01E 1.366(3) . ?
C015 H015 0.9300 . ?
C016 H016 0.9300 . ?
C017 H017 0.9300 . ?
C018 H018 0.9300 . ?
C019 H01D 0.9600 . ?
C019 H01E 0.9600 . ?
C019 H01F 0.9600 . ?
B01A B01M 1.756(3) . ?
B01A B01I 1.762(3) . ?
B01A B01B 1.775(3) . ?
B01A B01G 1.778(3) . ?
B01A H11 1.06(2) . ?
B01B B01M 1.755(3) . ?
B01B B01K 1.762(3) . ?
B01B B01H 1.775(3) . ?
B01B H8 1.06(2) . ?
C01D C01E 1.374(3) . ?
C01D H01G 0.9300 . ?
C01E H01H 0.9300 . ?
B01F B01J 1.761(3) . ?
B01F B01L 1.766(3) . ?
B01F B01G 1.781(3) . ?
B01F B01H 1.783(3) . ?
B01F H9 1.05(2) . ?
B01G B01L 1.757(3) . ?
B01G B01I 1.763(3) . ?
B01G H10 1.06(2) . ?
B01H B01J 1.762(3) . ?
B01H B01K 1.773(3) . ?
B01H H7 1.09(2) . ?
B01I B01L 1.766(3) . ?
B01I B01M 1.772(3) . ?
B01I H5 1.07(2) . ?
B01J B01L 1.772(3) . ?
B01J B01K 1.774(3) . ?
B01J H3 1.09(2) . ?
B01K B01M 1.768(3) . ?
B01K H2 1.07(2) . ?
B01L H4 1.07(2) . ?
B01M H6 1.05(2) . ?

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
C008 Ag01 P003 158.97(5) . . ?
C008 Ag01 Ag02 43.35(5) . . ?
P003 Ag01 Ag02 157.517(13) . . ?
C007 B1 B01A 118.65(16) . . ?
C007 B1 B01B 120.11(16) . . ?
B01A B1 B01B 60.20(12) . . ?
C007 B1 B01G 121.31(16) . . ?
B01A B1 B01G 60.12(12) . . ?
B01B B1 B01G 108.22(15) . . ?
C007 B1 B01F 124.39(16) . . ?
B01A B1 B01F 108.20(15) . . ?
B01B B1 B01F 108.01(15) . . ?
B01G B1 B01F 60.04(12) . . ?
C007 B1 B01H 123.44(16) . . ?
B01A B1 B01H 108.32(15) . . ?
B01B B1 B01H 59.98(12) . . ?
B01G B1 B01H 108.24(15) . . ?
B01F B1 B01H 60.07(12) . . ?
B01M C1 B01K 62.98(14) . . ?
B01M C1 B01J 114.88(17) . . ?
B01K C1 B01J 63.01(14) . . ?
B01M C1 B01I 62.95(14) . . ?
B01K C1 B01I 115.47(16) . . ?
B01J C1 B01I 114.72(16) . . ?
B01M C1 B01L 114.62(16) . . ?
B01K C1 B01L 115.21(17) . . ?
B01J C1 B01L 62.72(14) . . ?
B01I C1 B01L 62.46(14) . . ?
B01M C1 H1 117.0(14) . . ?
B01K C1 H1 116.1(14) . . ?
B01J C1 H1 117.7(14) . . ?
B01I C1 H1 118.2(14) . . ?
B01L C1 H1 118.8(14) . . ?
O1 S1 C011 106.47(10) . . ?
O1 S1 C019 106.22(10) . . ?
C011 S1 C019 96.64(11) . . ?
C008 Ag02 P004 150.29(5) . . ?
C008 Ag02 C008 95.61(6) . 3_666 ?
P004 Ag02 C008 113.67(4) . 3_666 ?
C008 Ag02 C007 27.48(6) . . ?
P004 Ag02 C007 138.61(4) . . ?
C008 Ag02 C007 92.95(6) 3_666 . ?
C008 Ag02 Ag02 51.24(5) . 3_666 ?
P004 Ag02 Ag02 157.655(15) . 3_666 ?
C008 Ag02 Ag02 44.38(4) 3_666 3_666 ?
C007 Ag02 Ag02 54.33(4) . 3_666 ?
C008 Ag02 Ag01 39.12(5) . . ?
P004 Ag02 Ag01 128.451(14) . . ?
C008 Ag02 Ag01 106.34(4) 3_666 . ?
C007 Ag02 Ag01 66.01(4) . . ?
Ag02 Ag02 Ag01 71.045(6) 3_666 . ?
C00A P003 C00E 103.07(9) . . ?
C00A P003 C009 106.47(9) . . ?
C00E P003 C009 103.54(9) . . ?
C00A P003 Ag01 116.24(6) . . ?
C00E P003 Ag01 106.77(6) . . ?
C009 P003 Ag01 118.87(6) . . ?
C00C P004 C00F 104.84(9) . . ?
C00C P004 C00G 104.89(9) . . ?
C00F P004 C00G 104.49(9) . . ?
C00C P004 Ag02 115.53(6) . . ?
C00F P004 Ag02 110.95(6) . . ?
C00G P004 Ag02 115.06(6) . . ?
C008 C007 B1 179.4(2) . . ?
C008 C007 Ag02 59.47(11) . . ?
B1 C007 Ag02 120.31(12) . . ?
C007 C008 Ag01 161.93(15) . . ?
C007 C008 Ag02 93.04(13) . . ?
Ag01 C008 Ag02 97.53(7) . . ?
C007 C008 Ag02 85.92(12) . 3_666 ?
Ag01 C008 Ag02 109.60(8) . 3_666 ?
Ag02 C008 Ag02 84.39(6) . 3_666 ?
C00B C009 C00L 119.12(18) . . ?
C00B C009 P003 119.06(14) . . ?
C00L C009 P003 121.81(15) . . ?
C00H C00A C00D 119.15(18) . . ?
C00H C00A P003 123.71(15) . . ?
C00D C00A P003 117.05(14) . . ?
C00R C00B C009 120.07(18) . . ?
C00R C00B H00B 120.0 . . ?
C009 C00B H00B 120.0 . . ?
C00I C00C C00P 119.30(19) . . ?
C00I C00C P004 122.70(15) . . ?
C00P C00C P004 118.00(15) . . ?
C00V C00D C00A 120.46(19) . . ?
C00V C00D H00D 119.8 . . ?
C00A C00D H00D 119.8 . . ?
C00N C00E C00J 119.21(19) . . ?
C00N C00E P003 124.16(16) . . ?
C00J C00E P003 116.60(15) . . ?
C00Q C00F C00T 119.20(18) . . ?
C00Q C00F P004 118.06(15) . . ?
C00T C00F P004 122.73(15) . . ?
C013 C00G C00K 119.04(18) . . ?
C013 C00G P004 116.62(15) . . ?
C00K C00G P004 124.32(16) . . ?
C017 C00H C00A 120.09(19) . . ?
C017 C00H H00H 120.0 . . ?
C00A C00H H00H 120.0 . . ?
C016 C00I C00C 120.1(2) . . ?
C016 C00I H00I 120.0 . . ?
C00C C00I H00I 120.0 . . ?
C015 C00J C00E 120.5(2) . . ?
C015 C00J H00J 119.8 . . ?
C00E C00J H00J 119.8 . . ?
C00G C00K C00U 119.86(19) . . ?
C00G C00K H00K 120.1 . . ?
C00U C00K H00K 120.1 . . ?
C00S C00L C009 120.29(19) . . ?
C00S C00L H00L 119.9 . . ?
C009 C00L H00L 119.9 . . ?
C00X C00M C00O 119.53(19) . . ?
C00X C00M H00M 120.2 . . ?
C00O C00M H00M 120.2 . . ?
C01D C00N C00E 119.8(2) . . ?
C01D C00N H00N 120.1 . . ?
C00E C00N H00N 120.1 . . ?
C00M C00O C00Q 120.0(2) . . ?
C00M C00O H00O 120.0 . . ?
C00Q C00O H00O 120.0 . . ?
C018 C00P C00C 120.0(2) . . ?
C018 C00P H00P 120.0 . . ?
C00C C00P H00P 120.0 . . ?
C00O C00Q C00F 120.37(19) . . ?
C00O C00Q H00Q 119.8 . . ?
C00F C00Q H00Q 119.8 . . ?
C014 C00R C00B 120.32(19) . . ?
C014 C00R H00R 119.8 . . ?
C00B C00R H00R 119.8 . . ?
C014 C00S C00L 120.08(19) . . ?
C014 C00S H00S 120.0 . . ?
C00L C00S H00S 120.0 . . ?
C00X C00T C00F 119.8(2) . . ?
C00X C00T H00T 120.1 . . ?
C00F C00T H00T 120.1 . . ?
C00Y C00U C00K 120.4(2) . . ?
C00Y C00U H00U 119.8 . . ?
C00K C00U H00U 119.8 . . ?
C00W C00V C00D 120.0(2) . . ?
C00W C00V H00V 120.0 . . ?
C00D C00V H00V 120.0 . . ?
C00V C00W C017 120.11(19) . . ?
C00V C00W H00W 119.9 . . ?
C017 C00W H00W 119.9 . . ?
C00M C00X C00T 121.0(2) . . ?
C00M C00X H00X 119.5 . . ?
C00T C00X H00X 119.5 . . ?
C012 C00Y C00U 120.0(2) . . ?
C012 C00Y H00Y 120.0 . . ?
C00U C00Y H00Y 120.0 . . ?
C018 C010 C016 119.5(2) . . ?
C018 C010 H010 120.3 . . ?
C016 C010 H010 120.3 . . ?
S1 C011 H01A 109.5 . . ?
S1 C011 H01B 109.5 . . ?
H01A C011 H01B 109.5 . . ?
S1 C011 H01C 109.5 . . ?
H01A C011 H01C 109.5 . . ?
H01B C011 H01C 109.5 . . ?
C00Y C012 C013 120.0(2) . . ?
C00Y C012 H012 120.0 . . ?
C013 C012 H012 120.0 . . ?
C012 C013 C00G 120.70(19) . . ?
C012 C013 H013 119.7 . . ?
C00G C013 H013 119.7 . . ?
C00R C014 C00S 120.09(19) . . ?
C00R C014 H014 120.0 . . ?
C00S C014 H014 120.0 . . ?
C01E C015 C00J 120.2(2) . . ?
C01E C015 H015 119.9 . . ?
C00J C015 H015 119.9 . . ?
C00I C016 C010 120.5(2) . . ?
C00I C016 H016 119.7 . . ?
C010 C016 H016 119.7 . . ?
C00W C017 C00H 120.2(2) . . ?
C00W C017 H017 119.9 . . ?
C00H C017 H017 119.9 . . ?
C010 C018 C00P 120.6(2) . . ?
C010 C018 H018 119.7 . . ?
C00P C018 H018 119.7 . . ?
S1 C019 H01D 109.5 . . ?
S1 C019 H01E 109.5 . . ?
H01D C019 H01E 109.5 . . ?
S1 C019 H01F 109.5 . . ?
H01D C019 H01F 109.5 . . ?
H01E C019 H01F 109.5 . . ?
B01M B01A B01I 60.49(13) . . ?
B01M B01A B1 107.68(15) . . ?
B01I B01A B1 107.98(16) . . ?
B01M B01A B01B 59.59(13) . . ?
B01I B01A B01B 108.07(15) . . ?
B1 B01A B01B 59.91(12) . . ?
B01M B01A B01G 108.08(16) . . ?
B01I B01A B01G 59.74(13) . . ?
B1 B01A B01G 60.21(12) . . ?
B01B B01A B01G 108.05(15) . . ?
B01M B01A H11 119.3(12) . . ?
B01I B01A H11 121.1(12) . . ?
B1 B01A H11 123.6(12) . . ?
B01B B01A H11 120.7(12) . . ?
B01G B01A H11 123.8(12) . . ?
B01M B01B B01K 60.35(13) . . ?
B01M B01B B1 107.72(16) . . ?
B01K B01B B1 108.31(15) . . ?
B01M B01B B01A 59.66(13) . . ?
B01K B01B B01A 108.19(16) . . ?
B1 B01B B01A 59.89(12) . . ?
B01M B01B B01H 108.40(16) . . ?
B01K B01B B01H 60.16(12) . . ?
B1 B01B B01H 60.35(12) . . ?
B01A B01B B01H 108.37(15) . . ?
B01M B01B H8 121.0(11) . . ?
B01K B01B H8 120.8(11) . . ?
B1 B01B H8 122.6(11) . . ?
B01A B01B H8 122.0(11) . . ?
B01H B01B H8 121.6(11) . . ?
C01E C01D C00N 120.4(2) . . ?
C01E C01D H01G 119.8 . . ?
C00N C01D H01G 119.8 . . ?
C015 C01E C01D 119.9(2) . . ?
C015 C01E H01H 120.0 . . ?
C01D C01E H01H 120.0 . . ?
B01J B01F B01L 60.34(13) . . ?
B01J B01F B1 107.37(15) . . ?
B01L B01F B1 107.18(16) . . ?
B01J B01F B01G 107.78(16) . . ?
B01L B01F B01G 59.38(13) . . ?
B1 B01F B01G 59.95(12) . . ?
B01J B01F B01H 59.62(13) . . ?
B01L B01F B01H 107.88(16) . . ?
B1 B01F B01H 60.01(12) . . ?
B01G B01F B01H 108.12(15) . . ?
B01J B01F H9 121.8(11) . . ?
B01L B01F H9 121.5(12) . . ?
B1 B01F H9 122.5(11) . . ?
B01G B01F H9 121.5(12) . . ?
B01H B01F H9 122.2(12) . . ?
B01L B01G B01I 60.25(13) . . ?
B01L B01G B01A 107.72(16) . . ?
B01I B01G B01A 59.69(13) . . ?
B01L B01G B1 107.62(15) . . ?
B01I B01G B1 107.50(16) . . ?
B01A B01G B1 59.66(12) . . ?
B01L B01G B01F 59.88(13) . . ?
B01I B01G B01F 108.13(16) . . ?
B01A B01G B01F 107.80(15) . . ?
B1 B01G B01F 60.01(12) . . ?
B01L B01G H10 121.2(11) . . ?
B01I B01G H10 121.9(11) . . ?
B01A B01G H10 122.7(11) . . ?
B1 B01G H10 122.4(11) . . ?
B01F B01G H10 121.1(11) . . ?
B01J B01H B01K 60.26(13) . . ?
B01J B01H B01B 107.54(16) . . ?
B01K B01H B01B 59.56(12) . . ?
B01J B01H B1 107.27(16) . . ?
B01K B01H B1 107.30(15) . . ?
B01B B01H B1 59.67(12) . . ?
B01J B01H B01F 59.58(13) . . ?
B01K B01H B01F 107.85(16) . . ?
B01B B01H B01F 107.66(15) . . ?
B1 B01H B01F 59.92(12) . . ?
B01J B01H H7 121.2(11) . . ?
B01K B01H H7 120.6(11) . . ?
B01B B01H H7 122.1(11) . . ?
B1 B01H H7 123.5(11) . . ?
B01F B01H H7 122.6(11) . . ?
C1 B01I B01A 104.01(16) . . ?
C1 B01I B01G 104.47(16) . . ?
B01A B01I B01G 60.58(13) . . ?
C1 B01I B01L 58.80(13) . . ?
B01A B01I B01L 108.00(16) . . ?
B01G B01I B01L 59.71(13) . . ?
C1 B01I B01M 58.20(13) . . ?
B01A B01I B01M 59.59(13) . . ?
B01G B01I B01M 108.03(16) . . ?
B01L B01I B01M 107.71(17) . . ?
C1 B01I H5 119.1(12) . . ?
B01A B01I H5 127.1(12) . . ?
B01G B01I H5 127.1(12) . . ?
B01L B01I H5 119.6(12) . . ?
B01M B01I H5 119.5(12) . . ?
C1 B01J B01F 104.75(16) . . ?
C1 B01J B01H 104.55(16) . . ?
B01F B01J B01H 60.80(13) . . ?
C1 B01J B01L 58.68(13) . . ?
B01F B01J B01L 59.96(13) . . ?
B01H B01J B01L 108.51(16) . . ?
C1 B01J B01K 58.24(13) . . ?
B01F B01J B01K 108.75(15) . . ?
B01H B01J B01K 60.18(13) . . ?
B01L B01J B01K 107.93(16) . . ?
C1 B01J H3 120.3(11) . . ?
B01F B01J H3 125.4(12) . . ?
B01H B01J H3 126.0(12) . . ?
B01L B01J H3 119.4(12) . . ?
B01K B01J H3 120.1(12) . . ?
C1 B01K B01B 104.12(16) . . ?
C1 B01K B01M 58.45(13) . . ?
B01B B01K B01M 59.61(13) . . ?
C1 B01K B01H 104.45(16) . . ?
B01B B01K B01H 60.28(12) . . ?
B01M B01K B01H 107.90(16) . . ?
C1 B01K B01J 58.74(13) . . ?
B01B B01K B01J 107.55(16) . . ?
B01M B01K B01J 107.68(17) . . ?
B01H B01K B01J 59.55(13) . . ?
C1 B01K H2 120.9(11) . . ?
B01B B01K H2 126.6(11) . . ?
B01M B01K H2 121.5(11) . . ?
B01H B01K H2 124.8(11) . . ?
B01J B01K H2 119.2(11) . . ?
C1 B01L B01G 104.68(16) . . ?
C1 B01L B01F 104.49(16) . . ?
B01G B01L B01F 60.74(13) . . ?
C1 B01L B01I 58.74(13) . . ?
B01G B01L B01I 60.05(13) . . ?
B01F B01L B01I 108.65(16) . . ?
C1 B01L B01J 58.60(13) . . ?
B01G B01L B01J 108.36(16) . . ?
B01F B01L B01J 59.70(13) . . ?
B01I B01L B01J 108.24(17) . . ?
C1 B01L H4 119.8(12) . . ?
B01G B01L H4 125.3(11) . . ?
B01F B01L H4 127.1(12) . . ?
B01I B01L H4 118.1(12) . . ?
B01J B01L H4 121.0(11) . . ?
C1 B01M B01B 104.54(16) . . ?
C1 B01M B01A 104.77(16) . . ?
B01B B01M B01A 60.74(13) . . ?
C1 B01M B01K 58.57(13) . . ?
B01B B01M B01K 60.03(13) . . ?
B01A B01M B01K 108.80(16) . . ?
C1 B01M B01I 58.85(13) . . ?
B01B B01M B01I 108.53(16) . . ?
B01A B01M B01I 59.92(13) . . ?
B01K B01M B01I 108.44(17) . . ?
C1 B01M H6 119.4(12) . . ?
B01B B01M H6 126.3(12) . . ?
B01A B01M H6 126.7(12) . . ?
B01K B01M H6 118.9(12) . . ?
B01I B01M H6 119.6(12) . . ?

_refine_diff_density_max         0.409
_refine_diff_density_min         -0.342
_refine_diff_density_rms         0.065

####################################################################### 
# 
# 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_[12-(Ph3PAu)2CC-closo-1-CB11H11]acetone
_database_code_depnum_ccdc_archive 'CCDC 1856196'
loop_
_audit_author_name
_audit_author_address
'Maik Finze'
;University of W?rzburg
Germany
;
_audit_update_record             
;
2018-07-16 deposited with the CCDC.	2019-07-10 downloaded from the CCDC.
;

#=================================================================
#DATA 1 [12-(Ph3PAu)2CC-closo-1-CB11H11]acetone
#=================================================================

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C39 H41 Au2 B11 P2, C3 H6 O'
_chemical_formula_sum            'C42 H47 Au2 B11 O P2'
_chemical_formula_weight         1142.58

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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   11.145(2)
_cell_length_b                   12.322(3)
_cell_length_c                   18.366(4)
_cell_angle_alpha                84.17(3)
_cell_angle_beta                 76.36(3)
_cell_angle_gamma                68.33(3)
_cell_volume                     2277.5(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    290(2)
_cell_measurement_reflns_used    28621
_cell_measurement_theta_min      2.78
_cell_measurement_theta_max      26.65

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.666
_exptl_crystal_F_000             1100
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_exptl_absorpt_coefficient_mu    6.537
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.3323
_exptl_absorpt_correction_T_max  0.5199
_exptl_absorpt_process_details   'X-RED 1.20 (Stoe & Cie, 1996)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      290(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Stoe STADI CCD'
_diffrn_measurement_method       φ-scans
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            20181
_diffrn_reflns_av_unetI/netI     0.0524
_diffrn_reflns_av_R_equivalents  0.0550
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         4.183
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_full        24.999
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measured_fraction_theta_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_point_group_measured_fraction_full 0.986
_reflns_number_total             7914
_reflns_number_gt                5974
_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       'CrysAlis CCD (Kuma Diffraction, 2000)'
_computing_cell_refinement       'CrysAlis RED (Kuma Diffraction, 2000)'
_computing_data_reduction        'CrysAlis RED'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Diamond4 (Crystal Impact GbR, 2016)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1128P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.0018(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         7914
_refine_ls_number_parameters     524
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0738
_refine_ls_R_factor_gt           0.0546
_refine_ls_wR_factor_ref         0.1610
_refine_ls_wR_factor_gt          0.1434
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.7026(11) -0.5359(10) -0.3717(6) 0.064(3) Uani 1 1 d . . . . .
H1 H 0.7562 -0.6062 -0.4127 0.084 Uiso 1 1 calc R U . . .
B2 B 0.5431(14) -0.4622(12) -0.3719(7) 0.062(4) Uani 1 1 d . . . . .
H2 H 0.4881 -0.4792 -0.4092 0.080 Uiso 1 1 calc R U . . .
B3 B 0.6636(14) -0.3997(13) -0.4049(7) 0.068(4) Uani 1 1 d . . . . .
H3 H 0.6884 -0.3760 -0.4645 0.088 Uiso 1 1 calc R U . . .
B4 B 0.7834(14) -0.4568(12) -0.3506(9) 0.074(4) Uani 1 1 d . . . . .
H4 H 0.8879 -0.4701 -0.3748 0.096 Uiso 1 1 calc R U . . .
B5 B 0.7420(15) -0.5545(11) -0.2874(9) 0.075(4) Uani 1 1 d . . . . .
H5 H 0.8184 -0.6328 -0.2705 0.097 Uiso 1 1 calc R U . . .
B6 B 0.5908(13) -0.5599(10) -0.2978(8) 0.062(3) Uani 1 1 d . . . . .
H6 H 0.5673 -0.6400 -0.2869 0.081 Uiso 1 1 calc R U . . .
B7 B 0.5156(13) -0.3188(10) -0.3452(6) 0.058(3) Uani 1 1 d . . . . .
H7 H 0.4422 -0.2407 -0.3647 0.075 Uiso 1 1 calc R U . . .
B8 B 0.6655(13) -0.3181(10) -0.3325(6) 0.056(3) Uani 1 1 d . . . . .
H8 H 0.6900 -0.2386 -0.3442 0.073 Uiso 1 1 calc R U . . .
B9 B 0.7160(12) -0.4155(10) -0.2586(7) 0.056(3) Uani 1 1 d . . . . .
H9 H 0.7729 -0.4006 -0.2217 0.073 Uiso 1 1 calc R U . . .
B10 B 0.5949(13) -0.4795(10) -0.2241(7) 0.057(3) Uani 1 1 d . . . . .
H10 H 0.5729 -0.5064 -0.1650 0.074 Uiso 1 1 calc R U . . .
B11 B 0.4692(12) -0.4189(10) -0.2783(6) 0.052(3) Uani 1 1 d . . . . .
H11 H 0.3648 -0.4059 -0.2542 0.067 Uiso 1 1 calc R U . . .
B12 B 0.5476(11) -0.3298(8) -0.2540(5) 0.040(2) Uani 1 1 d . . . . .
C2 C 0.4717(8) -0.2318(7) -0.1963(4) 0.0363(19) Uani 1 1 d . . . . .
C3 C 0.4128(10) -0.1603(7) -0.1437(5) 0.044(2) Uani 1 1 d . . . . .
Au1 Au 0.33038(4) -0.04415(3) -0.06247(2) 0.03982(17) Uani 1 1 d . . . . .
P1 P 0.2351(2) 0.0948(2) 0.02570(11) 0.0399(5) Uani 1 1 d . . . . .
C4 C 0.0606(9) 0.1717(8) 0.0298(5) 0.041(2) Uani 1 1 d . . . . .
C5 C -0.0303(11) 0.2054(10) 0.0950(7) 0.065(3) Uani 1 1 d . . . . .
H5A H -0.0032 0.1884 0.1404 0.085 Uiso 1 1 calc R U . . .
C6 C -0.1605(13) 0.2637(14) 0.0947(10) 0.091(4) Uani 1 1 d . . . . .
H6A H -0.2219 0.2856 0.1397 0.118 Uiso 1 1 calc R U . . .
C7 C -0.2002(14) 0.2897(12) 0.0293(11) 0.094(5) Uani 1 1 d . . . . .
H7A H -0.2895 0.3285 0.0296 0.123 Uiso 1 1 calc R U . . .
C8 C -0.1120(15) 0.2601(13) -0.0376(10) 0.091(4) Uani 1 1 d . . . . .
H8A H -0.1407 0.2796 -0.0824 0.118 Uiso 1 1 calc R U . . .
C9 C 0.0192(13) 0.2014(11) -0.0380(7) 0.074(3) Uani 1 1 d . . . . .
H9A H 0.0804 0.1815 -0.0832 0.097 Uiso 1 1 calc R U . . .
C10 C 0.3084(9) 0.2054(8) 0.0118(4) 0.041(2) Uani 1 1 d . . . . .
C11 C 0.2473(12) 0.3109(8) 0.0506(6) 0.060(3) Uani 1 1 d . . . . .
H11A H 0.1655 0.3268 0.0834 0.078 Uiso 1 1 calc R U . . .
C12 C 0.3095(15) 0.3897(11) 0.0397(7) 0.080(4) Uani 1 1 d . . . . .
H12 H 0.2713 0.4575 0.0676 0.104 Uiso 1 1 calc R U . . .
C13 C 0.4237(14) 0.3727(11) -0.0099(7) 0.071(3) Uani 1 1 d . . . . .
H13 H 0.4616 0.4299 -0.0180 0.093 Uiso 1 1 calc R U . . .
C14 C 0.4839(12) 0.2715(11) -0.0484(7) 0.066(3) Uani 1 1 d . . . . .
H14 H 0.5637 0.2589 -0.0826 0.085 Uiso 1 1 calc R U . . .
C15 C 0.4266(9) 0.1867(9) -0.0367(5) 0.050(2) Uani 1 1 d . . . . .
H15 H 0.4694 0.1167 -0.0622 0.065 Uiso 1 1 calc R U . . .
C16 C 0.2449(9) 0.0413(6) 0.1201(5) 0.043(2) Uani 1 1 d . . . . .
C17 C 0.3024(10) 0.0738(10) 0.1672(5) 0.055(3) Uani 1 1 d . . . . .
H17 H 0.3354 0.1337 0.1525 0.072 Uiso 1 1 calc R U . . .
C18 C 0.3132(12) 0.0202(13) 0.2367(6) 0.074(4) Uani 1 1 d . . . . .
H18 H 0.3468 0.0470 0.2700 0.096 Uiso 1 1 calc R U . . .
C19 C 0.2724(16) -0.0745(12) 0.2550(6) 0.086(5) Uani 1 1 d . . . . .
H19 H 0.2856 -0.1142 0.3000 0.112 Uiso 1 1 calc R U . . .
C20 C 0.2166(17) -0.1110(12) 0.2129(7) 0.091(5) Uani 1 1 d . . . . .
H20 H 0.1884 -0.1736 0.2281 0.119 Uiso 1 1 calc R U . . .
C21 C 0.1996(15) -0.0528(11) 0.1428(7) 0.082(4) Uani 1 1 d . . . . .
H21 H 0.1588 -0.0765 0.1120 0.106 Uiso 1 1 calc R U . . .
Au2 Au 0.36294(3) -0.03986(3) -0.23512(2) 0.03996(17) Uani 1 1 d . . . . .
P2 P 0.3011(2) 0.1211(2) -0.30640(12) 0.0404(5) Uani 1 1 d . . . . .
C22 C 0.2332(9) 0.2521(7) -0.2502(4) 0.039(2) Uani 1 1 d . . . . .
C23 C 0.3144(10) 0.2845(9) -0.2163(5) 0.054(3) Uani 1 1 d . . . . .
H23 H 0.4044 0.2412 -0.2245 0.070 Uiso 1 1 calc R U . . .
C24 C 0.2627(13) 0.3788(10) -0.1714(6) 0.067(3) Uani 1 1 d . . . . .
H24 H 0.3180 0.4001 -0.1497 0.088 Uiso 1 1 calc R U . . .
C25 C 0.1316(12) 0.4423(9) -0.1578(6) 0.068(3) Uani 1 1 d . . . . .
H25 H 0.0971 0.5072 -0.1273 0.088 Uiso 1 1 calc R U . . .
C26 C 0.0484(11) 0.4097(9) -0.1901(6) 0.065(3) Uani 1 1 d . . . . .
H26 H -0.0420 0.4520 -0.1800 0.085 Uiso 1 1 calc R U . . .
C27 C 0.0990(10) 0.3162(9) -0.2362(5) 0.052(2) Uani 1 1 d . . . . .
H27 H 0.0436 0.2955 -0.2582 0.067 Uiso 1 1 calc R U . . .
C28 C 0.4424(8) 0.1317(8) -0.3744(4) 0.038(2) Uani 1 1 d . . . . .
C29 C 0.4582(10) 0.2364(9) -0.3979(5) 0.052(2) Uani 1 1 d . . . . .
H29 H 0.3957 0.3062 -0.3775 0.067 Uiso 1 1 calc R U . . .
C30 C 0.5666(12) 0.2365(11) -0.4515(5) 0.063(3) Uani 1 1 d . . . . .
H30 H 0.5784 0.3069 -0.4662 0.082 Uiso 1 1 calc R U . . .
C31 C 0.6554(11) 0.1383(11) -0.4830(5) 0.060(3) Uani 1 1 d . . . . .
H31 H 0.7271 0.1406 -0.5203 0.078 Uiso 1 1 calc R U . . .
C32 C 0.6404(10) 0.0320(10) -0.4599(6) 0.059(3) Uani 1 1 d . . . . .
H32 H 0.7035 -0.0374 -0.4805 0.077 Uiso 1 1 calc R U . . .
C33 C 0.5285(11) 0.0305(11) -0.4048(6) 0.066(3) Uani 1 1 d . . . . .
H33 H 0.5150 -0.0392 -0.3900 0.086 Uiso 1 1 calc R U . . .
C34 C 0.1800(9) 0.1303(8) -0.3592(5) 0.044(2) Uani 1 1 d . . . . .
C35 C 0.1445(11) 0.2198(10) -0.4106(5) 0.057(3) Uani 1 1 d . . . . .
H35 H 0.1841 0.2757 -0.4179 0.074 Uiso 1 1 calc R U . . .
C36 C 0.0522(13) 0.2287(12) -0.4512(7) 0.074(4) Uani 1 1 d . . . . .
H36 H 0.0293 0.2901 -0.4853 0.096 Uiso 1 1 calc R U . . .
C37 C -0.0055(13) 0.1460(14) -0.4410(8) 0.087(5) Uani 1 1 d . . . . .
H37 H -0.0686 0.1510 -0.4678 0.114 Uiso 1 1 calc R U . . .
C38 C 0.0305(13) 0.0555(14) -0.3906(8) 0.080(4) Uani 1 1 d . . . . .
H38 H -0.0086 -0.0008 -0.3840 0.103 Uiso 1 1 calc R U . . .
C39 C 0.1214(11) 0.0463(10) -0.3505(6) 0.062(3) Uani 1 1 d . . . . .
H39 H 0.1448 -0.0161 -0.3171 0.080 Uiso 1 1 calc R U . . .
O1 O -0.1341(18) 0.2606(13) 0.4154(8) 0.169(6) Uani 1 1 d . . . . .
C40 C -0.1186(14) 0.3256(14) 0.3679(8) 0.082(4) Uani 1 1 d . . . . .
C41 C -0.1769(16) 0.4520(14) 0.3754(9) 0.103(5) Uani 1 1 d . . . . .
H41A H -0.1505 0.4886 0.3288 0.134 Uiso 1 1 calc R U . . .
H41B H -0.2715 0.4757 0.3881 0.134 Uiso 1 1 calc R U . . .
H41C H -0.1471 0.4751 0.4142 0.134 Uiso 1 1 calc R U . . .
C42 C -0.029(2) 0.2776(18) 0.2938(13) 0.154(8) Uani 1 1 d . . . . .
H42A H -0.0251 0.3410 0.2596 0.200 Uiso 1 1 calc R U . . .
H42B H 0.0580 0.2320 0.3013 0.200 Uiso 1 1 calc R U . . .
H42C H -0.0634 0.2292 0.2735 0.200 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
C1 B3 1.660(19) . ?
C1 B2 1.672(18) . ?
C1 B4 1.674(18) . ?
C1 B5 1.68(2) . ?
C1 B6 1.695(18) . ?
C1 H1 1.1000 . ?
B2 B3 1.75(2) . ?
B2 B11 1.764(15) . ?
B2 B6 1.77(2) . ?
B2 B7 1.779(17) . ?
B2 H2 1.1000 . ?
B3 B4 1.75(2) . ?
B3 B7 1.753(18) . ?
B3 B8 1.755(17) . ?
B3 H3 1.1000 . ?
B4 B5 1.70(2) . ?
B4 B9 1.724(19) . ?
B4 B8 1.734(17) . ?
B4 H4 1.1000 . ?
B5 B9 1.744(18) . ?
B5 B10 1.760(19) . ?
B5 B6 1.77(2) . ?
B5 H5 1.1000 . ?
B6 B11 1.773(16) . ?
B6 B10 1.776(17) . ?
B6 H6 1.1000 . ?
B7 B8 1.743(19) . ?
B7 B12 1.775(14) . ?
B7 B11 1.779(18) . ?
B7 H7 1.1000 . ?
B8 B12 1.740(15) . ?
B8 B9 1.769(18) . ?
B8 H8 1.1000 . ?
B9 B12 1.767(15) . ?
B9 B10 1.768(19) . ?
B9 H9 1.1000 . ?
B10 B12 1.787(15) . ?
B10 B11 1.802(17) . ?
B10 H10 1.1000 . ?
B11 B12 1.778(16) . ?
B11 H11 1.1000 . ?
B12 C2 1.542(11) . ?
C2 C3 1.261(11) . ?
C2 Au2 2.349(8) . ?
C3 Au1 1.983(8) . ?
C3 Au2 2.158(9) . ?
Au1 P1 2.257(2) . ?
Au1 Au2 3.1028(8) . ?
P1 C10 1.801(10) . ?
P1 C16 1.805(9) . ?
P1 C4 1.809(10) . ?
C4 C5 1.361(13) . ?
C4 C9 1.397(15) . ?
C5 C6 1.362(18) . ?
C5 H5A 0.9300 . ?
C6 C7 1.35(2) . ?
C6 H6A 0.9300 . ?
C7 C8 1.37(2) . ?
C7 H7A 0.9300 . ?
C8 C9 1.369(18) . ?
C8 H8A 0.9300 . ?
C9 H9A 0.9300 . ?
C10 C15 1.359(13) . ?
C10 C11 1.402(12) . ?
C11 C12 1.362(16) . ?
C11 H11A 0.9300 . ?
C12 C13 1.337(18) . ?
C12 H12 0.9300 . ?
C13 C14 1.357(17) . ?
C13 H13 0.9300 . ?
C14 C15 1.388(15) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 C17 1.356(13) . ?
C16 C21 1.416(15) . ?
C17 C18 1.386(14) . ?
C17 H17 0.9300 . ?
C18 C19 1.387(19) . ?
C18 H18 0.9300 . ?
C19 C20 1.301(19) . ?
C19 H19 0.9300 . ?
C20 C21 1.426(17) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
Au2 P2 2.239(2) . ?
P2 C28 1.803(9) . ?
P2 C34 1.804(10) . ?
P2 C22 1.820(8) . ?
C22 C27 1.384(13) . ?
C22 C23 1.396(13) . ?
C23 C24 1.355(14) . ?
C23 H23 0.9300 . ?
C24 C25 1.354(16) . ?
C24 H24 0.9300 . ?
C25 C26 1.398(16) . ?
C25 H25 0.9300 . ?
C26 C27 1.362(14) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 C33 1.339(14) . ?
C28 C29 1.378(13) . ?
C29 C30 1.367(14) . ?
C29 H29 0.9300 . ?
C30 C31 1.329(15) . ?
C30 H30 0.9300 . ?
C31 C32 1.392(16) . ?
C31 H31 0.9300 . ?
C32 C33 1.413(14) . ?
C32 H32 0.9300 . ?
C33 H33 0.9300 . ?
C34 C35 1.381(14) . ?
C34 C39 1.393(14) . ?
C35 C36 1.375(15) . ?
C35 H35 0.9300 . ?
C36 C37 1.370(19) . ?
C36 H36 0.9300 . ?
C37 C38 1.38(2) . ?
C37 H37 0.9300 . ?
C38 C39 1.355(16) . ?
C38 H38 0.9300 . ?
C39 H39 0.9300 . ?
O1 C40 1.149(15) . ?
C40 C41 1.457(19) . ?
C40 C42 1.51(2) . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
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
B3 C1 B2 63.2(8) . . ?
B3 C1 B4 63.3(9) . . ?
B2 C1 B4 115.0(9) . . ?
B3 C1 B5 114.4(8) . . ?
B2 C1 B5 115.3(9) . . ?
B4 C1 B5 60.8(9) . . ?
B3 C1 B6 115.6(8) . . ?
B2 C1 B6 63.2(8) . . ?
B4 C1 B6 113.5(9) . . ?
B5 C1 B6 63.1(8) . . ?
B3 C1 H1 117.0 . . ?
B2 C1 H1 116.9 . . ?
B4 C1 H1 118.7 . . ?
B5 C1 H1 118.2 . . ?
B6 C1 H1 117.5 . . ?
C1 B2 B3 58.1(8) . . ?
C1 B2 B11 104.9(9) . . ?
B3 B2 B11 107.8(9) . . ?
C1 B2 B6 59.0(7) . . ?
B3 B2 B6 107.9(10) . . ?
B11 B2 B6 60.3(7) . . ?
C1 B2 B7 104.1(9) . . ?
B3 B2 B7 59.6(8) . . ?
B11 B2 B7 60.3(6) . . ?
B6 B2 B7 108.4(8) . . ?
C1 B2 H2 125.1 . . ?
B3 B2 H2 121.9 . . ?
B11 B2 H2 122.1 . . ?
B6 B2 H2 121.1 . . ?
B7 B2 H2 122.5 . . ?
C1 B3 B2 58.7(8) . . ?
C1 B3 B4 58.7(8) . . ?
B2 B3 B4 107.6(10) . . ?
C1 B3 B7 105.8(9) . . ?
B2 B3 B7 61.1(7) . . ?
B4 B3 B7 107.2(8) . . ?
C1 B3 B8 104.8(9) . . ?
B2 B3 B8 108.3(8) . . ?
B4 B3 B8 59.3(7) . . ?
B7 B3 B8 59.6(7) . . ?
C1 B3 H3 124.3 . . ?
B2 B3 H3 121.1 . . ?
B4 B3 H3 122.2 . . ?
B7 B3 H3 122.0 . . ?
B8 B3 H3 122.7 . . ?
C1 B4 B5 59.7(8) . . ?
C1 B4 B9 107.2(10) . . ?
B5 B4 B9 61.3(8) . . ?
C1 B4 B8 105.1(10) . . ?
B5 B4 B8 110.0(9) . . ?
B9 B4 B8 61.5(7) . . ?
C1 B4 B3 57.9(8) . . ?
B5 B4 B3 109.0(11) . . ?
B9 B4 B3 110.5(9) . . ?
B8 B4 B3 60.5(8) . . ?
C1 B4 H4 124.5 . . ?
B5 B4 H4 120.3 . . ?
B9 B4 H4 120.1 . . ?
B8 B4 H4 121.5 . . ?
B3 B4 H4 121.1 . . ?
C1 B5 B4 59.5(9) . . ?
C1 B5 B9 106.1(10) . . ?
B4 B5 B9 60.1(8) . . ?
C1 B5 B10 105.7(10) . . ?
B4 B5 B10 108.7(9) . . ?
B9 B5 B10 60.6(7) . . ?
C1 B5 B6 58.9(8) . . ?
B4 B5 B6 108.9(11) . . ?
B9 B5 B6 109.3(9) . . ?
B10 B5 B6 60.5(8) . . ?
C1 B5 H5 124.0 . . ?
B4 B5 H5 121.1 . . ?
B9 B5 H5 121.6 . . ?
B10 B5 H5 121.8 . . ?
B6 B5 H5 120.8 . . ?
C1 B6 B2 57.7(8) . . ?
C1 B6 B5 58.0(8) . . ?
B2 B6 B5 106.6(10) . . ?
C1 B6 B11 103.5(9) . . ?
B2 B6 B11 59.8(7) . . ?
B5 B6 B11 107.4(8) . . ?
C1 B6 B10 104.3(9) . . ?
B2 B6 B10 108.7(9) . . ?
B5 B6 B10 59.6(7) . . ?
B11 B6 B10 61.0(6) . . ?
C1 B6 H6 125.8 . . ?
B2 B6 H6 121.9 . . ?
B5 B6 H6 122.4 . . ?
B11 B6 H6 122.5 . . ?
B10 B6 H6 121.7 . . ?
B8 B7 B3 60.3(7) . . ?
B8 B7 B12 59.3(6) . . ?
B3 B7 B12 107.3(8) . . ?
B8 B7 B11 107.3(8) . . ?
B3 B7 B11 106.9(8) . . ?
B12 B7 B11 60.0(6) . . ?
B8 B7 B2 107.4(9) . . ?
B3 B7 B2 59.3(8) . . ?
B12 B7 B2 107.2(8) . . ?
B11 B7 B2 59.4(7) . . ?
B8 B7 H7 122.0 . . ?
B3 B7 H7 122.2 . . ?
B12 B7 H7 122.2 . . ?
B11 B7 H7 122.2 . . ?
B2 B7 H7 122.4 . . ?
B4 B8 B12 107.3(9) . . ?
B4 B8 B7 108.4(9) . . ?
B12 B8 B7 61.3(7) . . ?
B4 B8 B3 60.2(8) . . ?
B12 B8 B3 108.7(9) . . ?
B7 B8 B3 60.1(7) . . ?
B4 B8 B9 59.0(8) . . ?
B12 B8 B9 60.5(6) . . ?
B7 B8 B9 109.8(9) . . ?
B3 B8 B9 108.2(9) . . ?
B4 B8 H8 122.5 . . ?
B12 B8 H8 121.3 . . ?
B7 B8 H8 120.5 . . ?
B3 B8 H8 121.5 . . ?
B9 B8 H8 121.3 . . ?
B4 B9 B5 58.6(8) . . ?
B4 B9 B12 106.5(9) . . ?
B5 B9 B12 107.5(9) . . ?
B4 B9 B10 107.1(9) . . ?
B5 B9 B10 60.1(8) . . ?
B12 B9 B10 60.7(7) . . ?
B4 B9 B8 59.5(8) . . ?
B5 B9 B8 106.3(9) . . ?
B12 B9 B8 59.0(6) . . ?
B10 B9 B8 107.6(9) . . ?
B4 B9 H9 122.9 . . ?
B5 B9 H9 122.6 . . ?
B12 B9 H9 122.1 . . ?
B10 B9 H9 121.3 . . ?
B8 B9 H9 122.6 . . ?
B5 B10 B9 59.3(7) . . ?
B5 B10 B6 59.9(7) . . ?
B9 B10 B6 107.8(9) . . ?
B5 B10 B12 106.0(9) . . ?
B9 B10 B12 59.6(7) . . ?
B6 B10 B12 106.9(9) . . ?
B5 B10 B11 106.4(9) . . ?
B9 B10 B11 107.2(9) . . ?
B6 B10 B11 59.4(7) . . ?
B12 B10 B11 59.4(6) . . ?
B5 B10 H10 122.9 . . ?
B9 B10 H10 121.9 . . ?
B6 B10 H10 121.9 . . ?
B12 B10 H10 122.7 . . ?
B11 B10 H10 122.5 . . ?
B2 B11 B6 59.9(7) . . ?
B2 B11 B12 107.7(9) . . ?
B6 B11 B12 107.4(8) . . ?
B2 B11 B7 60.3(7) . . ?
B6 B11 B7 108.1(8) . . ?
B12 B11 B7 59.9(6) . . ?
B2 B11 B10 107.6(8) . . ?
B6 B11 B10 59.6(7) . . ?
B12 B11 B10 59.9(6) . . ?
B7 B11 B10 108.0(9) . . ?
B2 B11 H11 121.8 . . ?
B6 B11 H11 122.0 . . ?
B12 B11 H11 122.0 . . ?
B7 B11 H11 121.5 . . ?
B10 B11 H11 122.0 . . ?
C2 B12 B8 123.1(8) . . ?
C2 B12 B9 121.5(8) . . ?
B8 B12 B9 60.6(7) . . ?
C2 B12 B7 122.1(7) . . ?
B8 B12 B7 59.4(7) . . ?
B9 B12 B7 108.5(8) . . ?
C2 B12 B11 120.9(8) . . ?
B8 B12 B11 107.5(7) . . ?
B9 B12 B11 108.3(7) . . ?
B7 B12 B11 60.1(7) . . ?
C2 B12 B10 120.3(8) . . ?
B8 B12 B10 108.0(8) . . ?
B9 B12 B10 59.6(7) . . ?
B7 B12 B10 108.8(7) . . ?
B11 B12 B10 60.7(7) . . ?
C3 C2 B12 173.6(8) . . ?
C3 C2 Au2 65.6(5) . . ?
B12 C2 Au2 120.8(5) . . ?
C2 C3 Au1 176.1(9) . . ?
C2 C3 Au2 82.3(6) . . ?
Au1 C3 Au2 96.9(3) . . ?
C3 Au1 P1 177.3(2) . . ?
C3 Au1 Au2 43.7(2) . . ?
P1 Au1 Au2 133.63(6) . . ?
C10 P1 C16 104.5(4) . . ?
C10 P1 C4 105.9(4) . . ?
C16 P1 C4 104.7(4) . . ?
C10 P1 Au1 113.1(3) . . ?
C16 P1 Au1 114.5(2) . . ?
C4 P1 Au1 113.3(3) . . ?
C5 C4 C9 119.0(11) . . ?
C5 C4 P1 123.4(8) . . ?
C9 C4 P1 117.6(8) . . ?
C4 C5 C6 120.8(13) . . ?
C4 C5 H5A 119.6 . . ?
C6 C5 H5A 119.6 . . ?
C7 C6 C5 119.9(14) . . ?
C7 C6 H6A 120.1 . . ?
C5 C6 H6A 120.1 . . ?
C6 C7 C8 121.3(14) . . ?
C6 C7 H7A 119.4 . . ?
C8 C7 H7A 119.4 . . ?
C7 C8 C9 119.4(15) . . ?
C7 C8 H8A 120.3 . . ?
C9 C8 H8A 120.3 . . ?
C8 C9 C4 119.6(12) . . ?
C8 C9 H9A 120.2 . . ?
C4 C9 H9A 120.2 . . ?
C15 C10 C11 118.6(9) . . ?
C15 C10 P1 119.8(7) . . ?
C11 C10 P1 121.7(7) . . ?
C12 C11 C10 119.0(10) . . ?
C12 C11 H11A 120.5 . . ?
C10 C11 H11A 120.5 . . ?
C13 C12 C11 122.2(11) . . ?
C13 C12 H12 118.9 . . ?
C11 C12 H12 118.9 . . ?
C12 C13 C14 119.5(11) . . ?
C12 C13 H13 120.2 . . ?
C14 C13 H13 120.2 . . ?
C13 C14 C15 120.1(11) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 H14 119.9 . . ?
C10 C15 C14 120.4(10) . . ?
C10 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C17 C16 C21 118.0(9) . . ?
C17 C16 P1 126.6(7) . . ?
C21 C16 P1 115.0(8) . . ?
C16 C17 C18 121.7(11) . . ?
C16 C17 H17 119.2 . . ?
C18 C17 H17 119.2 . . ?
C17 C18 C19 118.1(12) . . ?
C17 C18 H18 121.0 . . ?
C19 C18 H18 121.0 . . ?
C20 C19 C18 123.7(12) . . ?
C20 C19 H19 118.2 . . ?
C18 C19 H19 118.2 . . ?
C19 C20 C21 118.4(12) . . ?
C19 C20 H20 120.8 . . ?
C21 C20 H20 120.8 . . ?
C16 C21 C20 120.0(12) . . ?
C16 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C3 Au2 P2 164.3(2) . . ?
C3 Au2 C2 32.1(3) . . ?
P2 Au2 C2 162.0(2) . . ?
C3 Au2 Au1 39.4(2) . . ?
P2 Au2 Au1 125.32(6) . . ?
C2 Au2 Au1 71.46(19) . . ?
C28 P2 C34 105.9(4) . . ?
C28 P2 C22 106.9(4) . . ?
C34 P2 C22 106.6(4) . . ?
C28 P2 Au2 109.9(3) . . ?
C34 P2 Au2 116.0(3) . . ?
C22 P2 Au2 111.1(3) . . ?
C27 C22 C23 119.0(8) . . ?
C27 C22 P2 120.4(7) . . ?
C23 C22 P2 120.4(7) . . ?
C24 C23 C22 120.4(9) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C25 C24 C23 120.8(11) . . ?
C25 C24 H24 119.6 . . ?
C23 C24 H24 119.6 . . ?
C24 C25 C26 119.5(9) . . ?
C24 C25 H25 120.2 . . ?
C26 C25 H25 120.2 . . ?
C27 C26 C25 120.4(10) . . ?
C27 C26 H26 119.8 . . ?
C25 C26 H26 119.8 . . ?
C26 C27 C22 119.8(10) . . ?
C26 C27 H27 120.1 . . ?
C22 C27 H27 120.1 . . ?
C33 C28 C29 121.4(9) . . ?
C33 C28 P2 115.2(8) . . ?
C29 C28 P2 123.2(7) . . ?
C30 C29 C28 119.3(10) . . ?
C30 C29 H29 120.4 . . ?
C28 C29 H29 120.4 . . ?
C31 C30 C29 121.6(11) . . ?
C31 C30 H30 119.2 . . ?
C29 C30 H30 119.2 . . ?
C30 C31 C32 119.7(10) . . ?
C30 C31 H31 120.2 . . ?
C32 C31 H31 120.2 . . ?
C31 C32 C33 119.4(10) . . ?
C31 C32 H32 120.3 . . ?
C33 C32 H32 120.3 . . ?
C28 C33 C32 118.6(11) . . ?
C28 C33 H33 120.7 . . ?
C32 C33 H33 120.7 . . ?
C35 C34 C39 118.0(10) . . ?
C35 C34 P2 120.9(8) . . ?
C39 C34 P2 121.1(8) . . ?
C36 C35 C34 121.9(12) . . ?
C36 C35 H35 119.1 . . ?
C34 C35 H35 119.1 . . ?
C37 C36 C35 119.1(13) . . ?
C37 C36 H36 120.4 . . ?
C35 C36 H36 120.4 . . ?
C36 C37 C38 119.5(12) . . ?
C36 C37 H37 120.3 . . ?
C38 C37 H37 120.3 . . ?
C39 C38 C37 121.6(13) . . ?
C39 C38 H38 119.2 . . ?
C37 C38 H38 119.2 . . ?
C38 C39 C34 119.9(11) . . ?
C38 C39 H39 120.0 . . ?
C34 C39 H39 120.0 . . ?
O1 C40 C41 124.0(18) . . ?
O1 C40 C42 118.3(18) . . ?
C41 C40 C42 117.7(14) . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C40 C42 H42C 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
B4 C1 B2 B3 37.8(9) . . . . ?
B5 C1 B2 B3 105.9(10) . . . . ?
B6 C1 B2 B3 142.8(8) . . . . ?
B3 C1 B2 B11 -102.0(9) . . . . ?
B4 C1 B2 B11 -64.1(13) . . . . ?
B5 C1 B2 B11 3.9(13) . . . . ?
B6 C1 B2 B11 40.8(8) . . . . ?
B3 C1 B2 B6 -142.8(8) . . . . ?
B4 C1 B2 B6 -105.0(11) . . . . ?
B5 C1 B2 B6 -36.9(9) . . . . ?
B3 C1 B2 B7 -39.5(8) . . . . ?
B4 C1 B2 B7 -1.7(12) . . . . ?
B5 C1 B2 B7 66.3(12) . . . . ?
B6 C1 B2 B7 103.3(9) . . . . ?
B4 C1 B3 B2 -141.5(9) . . . . ?
B5 C1 B3 B2 -107.3(11) . . . . ?
B6 C1 B3 B2 -36.8(9) . . . . ?
B2 C1 B3 B4 141.5(9) . . . . ?
B5 C1 B3 B4 34.2(10) . . . . ?
B6 C1 B3 B4 104.7(11) . . . . ?
B2 C1 B3 B7 40.6(8) . . . . ?
B4 C1 B3 B7 -100.9(9) . . . . ?
B5 C1 B3 B7 -66.7(13) . . . . ?
B6 C1 B3 B7 3.9(13) . . . . ?
B2 C1 B3 B8 102.6(9) . . . . ?
B4 C1 B3 B8 -38.9(9) . . . . ?
B5 C1 B3 B8 -4.7(14) . . . . ?
B6 C1 B3 B8 65.8(13) . . . . ?
B11 B2 B3 C1 96.7(10) . . . . ?
B6 B2 B3 C1 33.0(7) . . . . ?
B7 B2 B3 C1 134.3(9) . . . . ?
C1 B2 B3 B4 -33.9(8) . . . . ?
B11 B2 B3 B4 62.8(11) . . . . ?
B6 B2 B3 B4 -0.9(10) . . . . ?
B7 B2 B3 B4 100.4(9) . . . . ?
C1 B2 B3 B7 -134.3(9) . . . . ?
B11 B2 B3 B7 -37.6(8) . . . . ?
B6 B2 B3 B7 -101.3(8) . . . . ?
C1 B2 B3 B8 -96.6(10) . . . . ?
B11 B2 B3 B8 0.1(13) . . . . ?
B6 B2 B3 B8 -63.6(11) . . . . ?
B7 B2 B3 B8 37.7(9) . . . . ?
B3 C1 B4 B5 144.1(9) . . . . ?
B2 C1 B4 B5 106.3(11) . . . . ?
B6 C1 B4 B5 36.1(10) . . . . ?
B3 C1 B4 B9 103.8(10) . . . . ?
B2 C1 B4 B9 66.0(13) . . . . ?
B5 C1 B4 B9 -40.3(9) . . . . ?
B6 C1 B4 B9 -4.2(14) . . . . ?
B3 C1 B4 B8 39.5(9) . . . . ?
B2 C1 B4 B8 1.7(14) . . . . ?
B5 C1 B4 B8 -104.6(10) . . . . ?
B6 C1 B4 B8 -68.5(13) . . . . ?
B2 C1 B4 B3 -37.8(9) . . . . ?
B5 C1 B4 B3 -144.1(9) . . . . ?
B6 C1 B4 B3 -108.0(10) . . . . ?
B2 B3 B4 C1 33.9(8) . . . . ?
B7 B3 B4 C1 98.3(10) . . . . ?
B8 B3 B4 C1 135.1(9) . . . . ?
C1 B3 B4 B5 -32.3(8) . . . . ?
B2 B3 B4 B5 1.6(11) . . . . ?
B7 B3 B4 B5 66.0(12) . . . . ?
B8 B3 B4 B5 102.8(10) . . . . ?
C1 B3 B4 B9 -97.9(11) . . . . ?
B2 B3 B4 B9 -64.0(11) . . . . ?
B7 B3 B4 B9 0.4(14) . . . . ?
B8 B3 B4 B9 37.2(9) . . . . ?
C1 B3 B4 B8 -135.1(9) . . . . ?
B2 B3 B4 B8 -101.2(9) . . . . ?
B7 B3 B4 B8 -36.8(9) . . . . ?
B3 C1 B5 B4 -35.1(10) . . . . ?
B2 C1 B5 B4 -105.7(11) . . . . ?
B6 C1 B5 B4 -142.7(9) . . . . ?
B3 C1 B5 B9 4.4(14) . . . . ?
B2 C1 B5 B9 -66.2(13) . . . . ?
B4 C1 B5 B9 39.5(9) . . . . ?
B6 C1 B5 B9 -103.2(10) . . . . ?
B3 C1 B5 B10 67.6(13) . . . . ?
B2 C1 B5 B10 -3.0(13) . . . . ?
B4 C1 B5 B10 102.7(10) . . . . ?
B6 C1 B5 B10 -40.0(9) . . . . ?
B3 C1 B5 B6 107.6(10) . . . . ?
B2 C1 B5 B6 37.0(9) . . . . ?
B4 C1 B5 B6 142.7(9) . . . . ?
B9 B4 B5 C1 135.2(10) . . . . ?
B8 B4 B5 C1 96.3(11) . . . . ?
B3 B4 B5 C1 31.7(8) . . . . ?
C1 B4 B5 B9 -135.2(10) . . . . ?
B8 B4 B5 B9 -38.9(10) . . . . ?
B3 B4 B5 B9 -103.5(9) . . . . ?
C1 B4 B5 B10 -97.6(10) . . . . ?
B9 B4 B5 B10 37.6(9) . . . . ?
B8 B4 B5 B10 -1.3(15) . . . . ?
B3 B4 B5 B10 -65.9(12) . . . . ?
C1 B4 B5 B6 -33.3(8) . . . . ?
B9 B4 B5 B6 101.9(10) . . . . ?
B8 B4 B5 B6 63.0(13) . . . . ?
B3 B4 B5 B6 -1.6(12) . . . . ?
B3 C1 B6 B2 36.8(10) . . . . ?
B4 C1 B6 B2 107.2(10) . . . . ?
B5 C1 B6 B2 142.5(9) . . . . ?
B3 C1 B6 B5 -105.7(10) . . . . ?
B2 C1 B6 B5 -142.5(9) . . . . ?
B4 C1 B6 B5 -35.3(10) . . . . ?
B3 C1 B6 B11 -3.5(13) . . . . ?
B2 C1 B6 B11 -40.3(8) . . . . ?
B4 C1 B6 B11 67.0(12) . . . . ?
B5 C1 B6 B11 102.2(9) . . . . ?
B3 C1 B6 B10 -66.5(12) . . . . ?
B2 C1 B6 B10 -103.3(9) . . . . ?
B4 C1 B6 B10 3.9(12) . . . . ?
B5 C1 B6 B10 39.2(8) . . . . ?
B3 B2 B6 C1 -32.6(8) . . . . ?
B11 B2 B6 C1 -133.4(9) . . . . ?
B7 B2 B6 C1 -95.7(10) . . . . ?
C1 B2 B6 B5 32.6(8) . . . . ?
B3 B2 B6 B5 0.0(11) . . . . ?
B11 B2 B6 B5 -100.8(9) . . . . ?
B7 B2 B6 B5 -63.1(11) . . . . ?
C1 B2 B6 B11 133.4(9) . . . . ?
B3 B2 B6 B11 100.7(9) . . . . ?
B7 B2 B6 B11 37.7(9) . . . . ?
C1 B2 B6 B10 95.4(10) . . . . ?
B3 B2 B6 B10 62.8(10) . . . . ?
B11 B2 B6 B10 -38.0(9) . . . . ?
B7 B2 B6 B10 -0.3(13) . . . . ?
B4 B5 B6 C1 33.5(8) . . . . ?
B9 B5 B6 C1 97.5(11) . . . . ?
B10 B5 B6 C1 134.7(9) . . . . ?
C1 B5 B6 B2 -32.5(8) . . . . ?
B4 B5 B6 B2 1.0(11) . . . . ?
B9 B5 B6 B2 65.0(12) . . . . ?
B10 B5 B6 B2 102.3(9) . . . . ?
C1 B5 B6 B11 -95.3(10) . . . . ?
B4 B5 B6 B11 -61.8(12) . . . . ?
B9 B5 B6 B11 2.2(13) . . . . ?
B10 B5 B6 B11 39.4(9) . . . . ?
C1 B5 B6 B10 -134.7(9) . . . . ?
B4 B5 B6 B10 -101.2(10) . . . . ?
B9 B5 B6 B10 -37.2(9) . . . . ?
C1 B3 B7 B8 98.2(10) . . . . ?
B2 B3 B7 B8 137.6(10) . . . . ?
B4 B3 B7 B8 36.7(9) . . . . ?
C1 B3 B7 B12 60.7(11) . . . . ?
B2 B3 B7 B12 100.1(10) . . . . ?
B4 B3 B7 B12 -0.9(13) . . . . ?
B8 B3 B7 B12 -37.5(9) . . . . ?
C1 B3 B7 B11 -2.5(11) . . . . ?
B2 B3 B7 B11 37.0(9) . . . . ?
B4 B3 B7 B11 -64.0(12) . . . . ?
B8 B3 B7 B11 -100.7(9) . . . . ?
C1 B3 B7 B2 -39.5(8) . . . . ?
B4 B3 B7 B2 -101.0(11) . . . . ?
B8 B3 B7 B2 -137.6(10) . . . . ?
C1 B2 B7 B8 1.0(11) . . . . ?
B3 B2 B7 B8 -37.8(9) . . . . ?
B11 B2 B7 B8 100.2(9) . . . . ?
B6 B2 B7 B8 62.6(11) . . . . ?
C1 B2 B7 B3 38.8(9) . . . . ?
B11 B2 B7 B3 138.0(10) . . . . ?
B6 B2 B7 B3 100.4(11) . . . . ?
C1 B2 B7 B12 -61.5(11) . . . . ?
B3 B2 B7 B12 -100.2(10) . . . . ?
B11 B2 B7 B12 37.8(8) . . . . ?
B6 B2 B7 B12 0.2(13) . . . . ?
C1 B2 B7 B11 -99.3(9) . . . . ?
B3 B2 B7 B11 -138.0(10) . . . . ?
B6 B2 B7 B11 -37.7(9) . . . . ?
C1 B4 B8 B12 63.7(12) . . . . ?
B5 B4 B8 B12 1.0(14) . . . . ?
B9 B4 B8 B12 -37.8(9) . . . . ?
B3 B4 B8 B12 102.0(10) . . . . ?
C1 B4 B8 B7 -1.0(13) . . . . ?
B5 B4 B8 B7 -63.7(13) . . . . ?
B9 B4 B8 B7 -102.6(9) . . . . ?
B3 B4 B8 B7 37.3(9) . . . . ?
C1 B4 B8 B3 -38.3(9) . . . . ?
B5 B4 B8 B3 -101.1(12) . . . . ?
B9 B4 B8 B3 -139.9(10) . . . . ?
C1 B4 B8 B9 101.6(11) . . . . ?
B5 B4 B8 B9 38.8(10) . . . . ?
B3 B4 B8 B9 139.9(10) . . . . ?
B3 B7 B8 B4 -37.4(10) . . . . ?
B12 B7 B8 B4 100.1(10) . . . . ?
B11 B7 B8 B4 62.6(10) . . . . ?
B2 B7 B8 B4 0.0(12) . . . . ?
B3 B7 B8 B12 -137.4(9) . . . . ?
B11 B7 B8 B12 -37.5(7) . . . . ?
B2 B7 B8 B12 -100.1(9) . . . . ?
B12 B7 B8 B3 137.4(9) . . . . ?
B11 B7 B8 B3 99.9(9) . . . . ?
B2 B7 B8 B3 37.4(9) . . . . ?
B3 B7 B8 B9 -100.1(10) . . . . ?
B12 B7 B8 B9 37.3(7) . . . . ?
B11 B7 B8 B9 -0.2(10) . . . . ?
B2 B7 B8 B9 -62.8(10) . . . . ?
C1 B3 B8 B4 38.6(9) . . . . ?
B2 B3 B8 B4 100.0(11) . . . . ?
B7 B3 B8 B4 138.4(10) . . . . ?
C1 B3 B8 B12 -61.0(11) . . . . ?
B2 B3 B8 B12 0.4(13) . . . . ?
B4 B3 B8 B12 -99.7(10) . . . . ?
B7 B3 B8 B12 38.8(8) . . . . ?
C1 B3 B8 B7 -99.8(10) . . . . ?
B2 B3 B8 B7 -38.4(9) . . . . ?
B4 B3 B8 B7 -138.4(10) . . . . ?
C1 B3 B8 B9 3.1(12) . . . . ?
B2 B3 B8 B9 64.5(12) . . . . ?
B4 B3 B8 B9 -35.5(9) . . . . ?
B7 B3 B8 B9 102.9(9) . . . . ?
C1 B4 B9 B5 39.5(9) . . . . ?
B8 B4 B9 B5 137.8(11) . . . . ?
B3 B4 B9 B5 101.0(12) . . . . ?
C1 B4 B9 B12 -61.3(12) . . . . ?
B5 B4 B9 B12 -100.8(10) . . . . ?
B8 B4 B9 B12 37.0(8) . . . . ?
B3 B4 B9 B12 0.2(13) . . . . ?
C1 B4 B9 B10 2.5(13) . . . . ?
B5 B4 B9 B10 -37.0(9) . . . . ?
B8 B4 B9 B10 100.8(10) . . . . ?
B3 B4 B9 B10 64.0(12) . . . . ?
C1 B4 B9 B8 -98.2(11) . . . . ?
B5 B4 B9 B8 -137.8(11) . . . . ?
B3 B4 B9 B8 -36.8(10) . . . . ?
C1 B5 B9 B4 -39.2(10) . . . . ?
B10 B5 B9 B4 -138.4(11) . . . . ?
B6 B5 B9 B4 -101.2(12) . . . . ?
C1 B5 B9 B12 59.8(12) . . . . ?
B4 B5 B9 B12 99.0(11) . . . . ?
B10 B5 B9 B12 -39.4(8) . . . . ?
B6 B5 B9 B12 -2.2(13) . . . . ?
C1 B5 B9 B10 99.3(11) . . . . ?
B4 B5 B9 B10 138.4(11) . . . . ?
B6 B5 B9 B10 37.2(10) . . . . ?
C1 B5 B9 B8 -2.1(13) . . . . ?
B4 B5 B9 B8 37.1(10) . . . . ?
B10 B5 B9 B8 -101.3(9) . . . . ?
B6 B5 B9 B8 -64.1(12) . . . . ?
B12 B8 B9 B4 137.7(10) . . . . ?
B7 B8 B9 B4 100.0(10) . . . . ?
B3 B8 B9 B4 36.1(9) . . . . ?
B4 B8 B9 B5 -36.7(10) . . . . ?
B12 B8 B9 B5 101.0(10) . . . . ?
B7 B8 B9 B5 63.4(11) . . . . ?
B3 B8 B9 B5 -0.6(12) . . . . ?
B4 B8 B9 B12 -137.7(10) . . . . ?
B7 B8 B9 B12 -37.6(7) . . . . ?
B3 B8 B9 B12 -101.6(10) . . . . ?
B4 B8 B9 B10 -99.8(10) . . . . ?
B12 B8 B9 B10 37.8(7) . . . . ?
B7 B8 B9 B10 0.2(11) . . . . ?
B3 B8 B9 B10 -63.8(10) . . . . ?
C1 B5 B10 B9 -99.9(10) . . . . ?
B4 B5 B10 B9 -37.4(10) . . . . ?
B6 B5 B10 B9 -139.1(10) . . . . ?
C1 B5 B10 B6 39.2(9) . . . . ?
B4 B5 B10 B6 101.7(12) . . . . ?
B9 B5 B10 B6 139.1(10) . . . . ?
C1 B5 B10 B12 -61.4(11) . . . . ?
B4 B5 B10 B12 1.1(13) . . . . ?
B9 B5 B10 B12 38.5(8) . . . . ?
B6 B5 B10 B12 -100.5(9) . . . . ?
C1 B5 B10 B11 0.7(12) . . . . ?
B4 B5 B10 B11 63.2(12) . . . . ?
B9 B5 B10 B11 100.6(10) . . . . ?
B6 B5 B10 B11 -38.4(9) . . . . ?
B4 B9 B10 B5 36.4(9) . . . . ?
B12 B9 B10 B5 136.1(9) . . . . ?
B8 B9 B10 B5 99.0(10) . . . . ?
B4 B9 B10 B6 -0.2(12) . . . . ?
B5 B9 B10 B6 -36.5(9) . . . . ?
B12 B9 B10 B6 99.5(9) . . . . ?
B8 B9 B10 B6 62.5(10) . . . . ?
B4 B9 B10 B12 -99.7(10) . . . . ?
B5 B9 B10 B12 -136.1(9) . . . . ?
B8 B9 B10 B12 -37.0(7) . . . . ?
B4 B9 B10 B11 -62.8(10) . . . . ?
B5 B9 B10 B11 -99.1(9) . . . . ?
B12 B9 B10 B11 36.9(7) . . . . ?
B8 B9 B10 B11 -0.1(10) . . . . ?
C1 B6 B10 B5 -38.4(8) . . . . ?
B2 B6 B10 B5 -98.7(10) . . . . ?
B11 B6 B10 B5 -136.1(10) . . . . ?
C1 B6 B10 B9 -2.1(11) . . . . ?
B2 B6 B10 B9 -62.4(11) . . . . ?
B5 B6 B10 B9 36.3(9) . . . . ?
B11 B6 B10 B9 -99.9(9) . . . . ?
C1 B6 B10 B12 60.6(10) . . . . ?
B2 B6 B10 B12 0.3(12) . . . . ?
B5 B6 B10 B12 99.0(10) . . . . ?
B11 B6 B10 B12 -37.1(8) . . . . ?
C1 B6 B10 B11 97.7(10) . . . . ?
B2 B6 B10 B11 37.4(9) . . . . ?
B5 B6 B10 B11 136.1(10) . . . . ?
C1 B2 B11 B6 -40.2(9) . . . . ?
B3 B2 B11 B6 -100.8(11) . . . . ?
B7 B2 B11 B6 -138.1(10) . . . . ?
C1 B2 B11 B12 60.1(11) . . . . ?
B3 B2 B11 B12 -0.6(12) . . . . ?
B6 B2 B11 B12 100.3(9) . . . . ?
B7 B2 B11 B12 -37.9(8) . . . . ?
C1 B2 B11 B7 98.0(10) . . . . ?
B3 B2 B11 B7 37.3(9) . . . . ?
B6 B2 B11 B7 138.1(10) . . . . ?
C1 B2 B11 B10 -3.1(12) . . . . ?
B3 B2 B11 B10 -63.8(12) . . . . ?
B6 B2 B11 B10 37.1(9) . . . . ?
B7 B2 B11 B10 -101.1(9) . . . . ?
C1 B6 B11 B2 39.2(9) . . . . ?
B5 B6 B11 B2 99.5(11) . . . . ?
B10 B6 B11 B2 138.2(10) . . . . ?
C1 B6 B11 B12 -61.6(10) . . . . ?
B2 B6 B11 B12 -100.8(9) . . . . ?
B5 B6 B11 B12 -1.3(12) . . . . ?
B10 B6 B11 B12 37.4(8) . . . . ?
C1 B6 B11 B7 1.6(11) . . . . ?
B2 B6 B11 B7 -37.6(9) . . . . ?
B5 B6 B11 B7 61.9(11) . . . . ?
B10 B6 B11 B7 100.6(9) . . . . ?
C1 B6 B11 B10 -99.0(10) . . . . ?
B2 B6 B11 B10 -138.2(10) . . . . ?
B5 B6 B11 B10 -38.8(9) . . . . ?
B8 B7 B11 B2 -100.3(9) . . . . ?
B3 B7 B11 B2 -36.9(9) . . . . ?
B12 B7 B11 B2 -137.5(9) . . . . ?
B8 B7 B11 B6 -62.9(10) . . . . ?
B3 B7 B11 B6 0.5(11) . . . . ?
B12 B7 B11 B6 -100.1(9) . . . . ?
B2 B7 B11 B6 37.4(8) . . . . ?
B8 B7 B11 B12 37.2(7) . . . . ?
B3 B7 B11 B12 100.5(9) . . . . ?
B2 B7 B11 B12 137.5(9) . . . . ?
B8 B7 B11 B10 0.1(9) . . . . ?
B3 B7 B11 B10 63.5(10) . . . . ?
B12 B7 B11 B10 -37.0(7) . . . . ?
B2 B7 B11 B10 100.4(9) . . . . ?
B5 B10 B11 B2 1.5(12) . . . . ?
B9 B10 B11 B2 63.7(10) . . . . ?
B6 B10 B11 B2 -37.2(9) . . . . ?
B12 B10 B11 B2 100.7(9) . . . . ?
B5 B10 B11 B6 38.7(9) . . . . ?
B9 B10 B11 B6 100.9(10) . . . . ?
B12 B10 B11 B6 137.9(9) . . . . ?
B5 B10 B11 B12 -99.2(9) . . . . ?
B9 B10 B11 B12 -37.0(7) . . . . ?
B6 B10 B11 B12 -137.9(9) . . . . ?
B5 B10 B11 B7 -62.2(10) . . . . ?
B9 B10 B11 B7 0.0(10) . . . . ?
B6 B10 B11 B7 -100.9(9) . . . . ?
B12 B10 B11 B7 37.0(7) . . . . ?
B4 B8 B12 C2 147.5(10) . . . . ?
B7 B8 B12 C2 -110.6(10) . . . . ?
B3 B8 B12 C2 -148.9(10) . . . . ?
B9 B8 B12 C2 110.3(10) . . . . ?
B4 B8 B12 B9 37.2(9) . . . . ?
B7 B8 B12 B9 139.1(8) . . . . ?
B3 B8 B12 B9 100.8(10) . . . . ?
B4 B8 B12 B7 -101.9(10) . . . . ?
B3 B8 B12 B7 -38.3(8) . . . . ?
B9 B8 B12 B7 -139.1(8) . . . . ?
B4 B8 B12 B11 -64.4(11) . . . . ?
B7 B8 B12 B11 37.5(8) . . . . ?
B3 B8 B12 B11 -0.7(11) . . . . ?
B9 B8 B12 B11 -101.5(8) . . . . ?
B4 B8 B12 B10 -0.3(12) . . . . ?
B7 B8 B12 B10 101.6(8) . . . . ?
B3 B8 B12 B10 63.4(11) . . . . ?
B9 B8 B12 B10 -37.4(8) . . . . ?
B4 B9 B12 C2 -150.2(9) . . . . ?
B5 B9 B12 C2 148.2(10) . . . . ?
B10 B9 B12 C2 109.1(10) . . . . ?
B8 B9 B12 C2 -113.0(10) . . . . ?
B4 B9 B12 B8 -37.2(8) . . . . ?
B5 B9 B12 B8 -98.8(10) . . . . ?
B10 B9 B12 B8 -137.9(9) . . . . ?
B4 B9 B12 B7 -0.8(11) . . . . ?
B5 B9 B12 B7 -62.3(11) . . . . ?
B10 B9 B12 B7 -101.4(9) . . . . ?
B8 B9 B12 B7 36.5(8) . . . . ?
B4 B9 B12 B11 62.9(10) . . . . ?
B5 B9 B12 B11 1.4(11) . . . . ?
B10 B9 B12 B11 -37.8(8) . . . . ?
B8 B9 B12 B11 100.2(8) . . . . ?
B4 B9 B12 B10 100.7(9) . . . . ?
B5 B9 B12 B10 39.1(9) . . . . ?
B8 B9 B12 B10 137.9(9) . . . . ?
B8 B7 B12 C2 112.3(11) . . . . ?
B3 B7 B12 C2 150.2(10) . . . . ?
B11 B7 B12 C2 -109.8(10) . . . . ?
B2 B7 B12 C2 -147.4(10) . . . . ?
B3 B7 B12 B8 38.0(9) . . . . ?
B11 B7 B12 B8 137.9(8) . . . . ?
B2 B7 B12 B8 100.3(10) . . . . ?
B8 B7 B12 B9 -37.0(8) . . . . ?
B3 B7 B12 B9 1.0(12) . . . . ?
B11 B7 B12 B9 100.9(8) . . . . ?
B2 B7 B12 B9 63.4(11) . . . . ?
B8 B7 B12 B11 -137.9(8) . . . . ?
B3 B7 B12 B11 -99.9(9) . . . . ?
B2 B7 B12 B11 -37.6(8) . . . . ?
B8 B7 B12 B10 -100.3(9) . . . . ?
B3 B7 B12 B10 -62.3(12) . . . . ?
B11 B7 B12 B10 37.6(8) . . . . ?
B2 B7 B12 B10 0.1(12) . . . . ?
B2 B11 B12 C2 149.8(8) . . . . ?
B6 B11 B12 C2 -147.1(9) . . . . ?
B7 B11 B12 C2 111.7(9) . . . . ?
B10 B11 B12 C2 -109.8(9) . . . . ?
B2 B11 B12 B8 0.8(11) . . . . ?
B6 B11 B12 B8 64.0(10) . . . . ?
B7 B11 B12 B8 -37.3(8) . . . . ?
B10 B11 B12 B8 101.3(9) . . . . ?
B2 B11 B12 B9 -63.2(10) . . . . ?
B6 B11 B12 B9 0.0(11) . . . . ?
B7 B11 B12 B9 -101.2(8) . . . . ?
B10 B11 B12 B9 37.3(8) . . . . ?
B2 B11 B12 B7 38.1(8) . . . . ?
B6 B11 B12 B7 101.2(9) . . . . ?
B10 B11 B12 B7 138.5(8) . . . . ?
B2 B11 B12 B10 -100.5(9) . . . . ?
B6 B11 B12 B10 -37.3(8) . . . . ?
B7 B11 B12 B10 -138.5(8) . . . . ?
B5 B10 B12 C2 -149.4(10) . . . . ?
B9 B10 B12 C2 -111.0(10) . . . . ?
B6 B10 B12 C2 147.9(9) . . . . ?
B11 B10 B12 C2 110.8(10) . . . . ?
B5 B10 B12 B8 -0.5(11) . . . . ?
B9 B10 B12 B8 37.9(8) . . . . ?
B6 B10 B12 B8 -63.2(11) . . . . ?
B11 B10 B12 B8 -100.3(8) . . . . ?
B5 B10 B12 B9 -38.4(9) . . . . ?
B6 B10 B12 B9 -101.1(10) . . . . ?
B11 B10 B12 B9 -138.2(8) . . . . ?
B5 B10 B12 B7 62.5(11) . . . . ?
B9 B10 B12 B7 100.9(9) . . . . ?
B6 B10 B12 B7 -0.2(11) . . . . ?
B11 B10 B12 B7 -37.3(8) . . . . ?
B5 B10 B12 B11 99.8(9) . . . . ?
B9 B10 B12 B11 138.2(8) . . . . ?
B6 B10 B12 B11 37.1(8) . . . . ?
B8 B12 C2 Au2 51.4(12) . . . . ?
B9 B12 C2 Au2 124.6(8) . . . . ?
B7 B12 C2 Au2 -20.8(13) . . . . ?
B11 B12 C2 Au2 -92.7(9) . . . . ?
B10 B12 C2 Au2 -164.6(7) . . . . ?
C10 P1 C4 C5 -93.9(9) . . . . ?
C16 P1 C4 C5 16.2(10) . . . . ?
Au1 P1 C4 C5 141.6(8) . . . . ?
C10 P1 C4 C9 83.4(9) . . . . ?
C16 P1 C4 C9 -166.5(8) . . . . ?
Au1 P1 C4 C9 -41.1(9) . . . . ?
C9 C4 C5 C6 2.3(18) . . . . ?
P1 C4 C5 C6 179.6(10) . . . . ?
C4 C5 C6 C7 -1(2) . . . . ?
C5 C6 C7 C8 -1(2) . . . . ?
C6 C7 C8 C9 1(2) . . . . ?
C7 C8 C9 C4 1(2) . . . . ?
C5 C4 C9 C8 -2.3(18) . . . . ?
P1 C4 C9 C8 -179.7(10) . . . . ?
C16 P1 C10 C15 111.0(8) . . . . ?
C4 P1 C10 C15 -138.8(7) . . . . ?
Au1 P1 C10 C15 -14.1(8) . . . . ?
C16 P1 C10 C11 -68.2(9) . . . . ?
C4 P1 C10 C11 42.0(9) . . . . ?
Au1 P1 C10 C11 166.7(7) . . . . ?
C15 C10 C11 C12 -1.3(16) . . . . ?
P1 C10 C11 C12 177.9(10) . . . . ?
C10 C11 C12 C13 4(2) . . . . ?
C11 C12 C13 C14 -3(2) . . . . ?
C12 C13 C14 C15 0.5(18) . . . . ?
C11 C10 C15 C14 -1.2(14) . . . . ?
P1 C10 C15 C14 179.5(8) . . . . ?
C13 C14 C15 C10 1.7(16) . . . . ?
C10 P1 C16 C17 -3.5(9) . . . . ?
C4 P1 C16 C17 -114.6(9) . . . . ?
Au1 P1 C16 C17 120.7(8) . . . . ?
C10 P1 C16 C21 -176.4(8) . . . . ?
C4 P1 C16 C21 72.4(9) . . . . ?
Au1 P1 C16 C21 -52.2(9) . . . . ?
C21 C16 C17 C18 -2.1(16) . . . . ?
P1 C16 C17 C18 -174.9(8) . . . . ?
C16 C17 C18 C19 4.8(17) . . . . ?
C17 C18 C19 C20 -5(2) . . . . ?
C18 C19 C20 C21 2(2) . . . . ?
C17 C16 C21 C20 -0.8(18) . . . . ?
P1 C16 C21 C20 172.8(11) . . . . ?
C19 C20 C21 C16 1(2) . . . . ?
C28 P2 C22 C27 132.2(7) . . . . ?
C34 P2 C22 C27 19.3(8) . . . . ?
Au2 P2 C22 C27 -107.9(7) . . . . ?
C28 P2 C22 C23 -52.4(8) . . . . ?
C34 P2 C22 C23 -165.3(7) . . . . ?
Au2 P2 C22 C23 67.5(8) . . . . ?
C27 C22 C23 C24 -1.2(14) . . . . ?
P2 C22 C23 C24 -176.7(8) . . . . ?
C22 C23 C24 C25 0.9(17) . . . . ?
C23 C24 C25 C26 0.5(18) . . . . ?
C24 C25 C26 C27 -1.4(17) . . . . ?
C25 C26 C27 C22 1.0(16) . . . . ?
C23 C22 C27 C26 0.3(14) . . . . ?
P2 C22 C27 C26 175.8(8) . . . . ?
C34 P2 C28 C33 -86.6(8) . . . . ?
C22 P2 C28 C33 160.0(8) . . . . ?
Au2 P2 C28 C33 39.4(8) . . . . ?
C34 P2 C28 C29 89.1(8) . . . . ?
C22 P2 C28 C29 -24.2(8) . . . . ?
Au2 P2 C28 C29 -144.8(7) . . . . ?
C33 C28 C29 C30 -2.4(15) . . . . ?
P2 C28 C29 C30 -177.9(8) . . . . ?
C28 C29 C30 C31 1.9(16) . . . . ?
C29 C30 C31 C32 -1.8(17) . . . . ?
C30 C31 C32 C33 2.0(17) . . . . ?
C29 C28 C33 C32 2.7(16) . . . . ?
P2 C28 C33 C32 178.5(8) . . . . ?
C31 C32 C33 C28 -2.5(17) . . . . ?
C28 P2 C34 C35 -51.2(8) . . . . ?
C22 P2 C34 C35 62.3(8) . . . . ?
Au2 P2 C34 C35 -173.5(6) . . . . ?
C28 P2 C34 C39 127.4(8) . . . . ?
C22 P2 C34 C39 -119.0(8) . . . . ?
Au2 P2 C34 C39 5.2(9) . . . . ?
C39 C34 C35 C36 1.5(14) . . . . ?
P2 C34 C35 C36 -179.8(8) . . . . ?
C34 C35 C36 C37 -0.5(17) . . . . ?
C35 C36 C37 C38 -0.4(18) . . . . ?
C36 C37 C38 C39 0.4(19) . . . . ?
C37 C38 C39 C34 0.6(18) . . . . ?
C35 C34 C39 C38 -1.5(15) . . . . ?
P2 C34 C39 C38 179.8(9) . . . . ?

_refine_diff_density_max         3.098
_refine_diff_density_min         -2.929
_refine_diff_density_rms         0.218

####################################################################### 
# 
# 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_[12-(Ph3PAu)2CC-closo-1-CB11H11]CH2Cl2
_database_code_depnum_ccdc_archive 'CCDC 1856197'
loop_
_audit_author_name
_audit_author_address
'Maik Finze'
;University of W?rzburg
Germany
;
_audit_update_record             
;
2018-07-16 deposited with the CCDC.	2019-07-10 downloaded from the CCDC.
;

#=================================================================
#DATA 1 [12-(Ph3PAu)2CC-closo-1-CB11H11]CH2Cl2
#=================================================================

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C39 H41 Au2 B11 P2, C H2 Cl2'
_chemical_formula_sum            'C40 H43 Au2 B11 Cl2 P2'
_chemical_formula_weight         1169.42

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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   11.2596(5)
_cell_length_b                   12.2332(6)
_cell_length_c                   18.0030(9)
_cell_angle_alpha                80.9350(10)
_cell_angle_beta                 75.0080(10)
_cell_angle_gamma                68.4270(10)
_cell_volume                     2222.16(19)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9890
_cell_measurement_theta_min      2.348
_cell_measurement_theta_max      26.7525
_exptl_special_details           
;
The crystal was immersed in a film of perfluoropolyether oil, mounted on a 
polyimide microloop (MicroMounts of MiTeGen) and transferred to stream of cold 
nitrogen (Oxford Cryostream 700).
;
_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.748
_exptl_crystal_F_000             1120
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_exptl_absorpt_coefficient_mu    6.816
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4971
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   'SadAbs 2014/5 (Bruker AXS)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_source                   'rotating-anode (Nonius FR-591)'
_diffrn_measurement_device_type  'Bruker X8-APEX II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            22520
_diffrn_reflns_av_unetI/netI     0.0220
_diffrn_reflns_av_R_equivalents  0.0173
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.075
_diffrn_reflns_theta_max         26.753
_diffrn_reflns_theta_full        26.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             9457
_reflns_number_gt                8682
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'APEX2 ver. 2014.9 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. V8.34A (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. V8.34A (Bruker AXS)'
_computing_structure_solution    'SHELXT (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'ShelXLe (Huebschle et all, 2011)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_refine_special_details          
;
Refinement of F² against ALL reflections. The weighted R-factor wR and 
goodness of fit S are based on F², conventional R-factors R are based on F, 
with F set to zero for negative F². The threshold expression of F² > 
2sigma(F²) is used only for calculating R-factors(gt) etc. and is not 
relevant to the choice of reflections for refinement. R-factors based on F² 
are statistically about twice as large as those based on F, and R-factors 
based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0185P)²+1.7059P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     iterative
_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         9457
_refine_ls_number_parameters     514
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0200
_refine_ls_R_factor_gt           0.0170
_refine_ls_wR_factor_ref         0.0406
_refine_ls_wR_factor_gt          0.0396
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      1.029
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.33999(2) 0.45900(2) 0.44124(2) 0.01291(3) Uani 1 1 d . . . . .
P1 P 0.24093(6) 0.59864(5) 0.52811(4) 0.01237(12) Uani 1 1 d . . . . .
Cl1 Cl 0.18646(7) 1.07426(7) 0.07767(4) 0.03197(16) Uani 1 1 d . . . . .
C1 C 0.6959(3) -0.0358(2) 0.13800(16) 0.0209(6) Uani 1 1 d . . . . .
H1 H 0.7468 -0.1078 0.0991 0.025 Uiso 1 1 calc R U . . .
Au2 Au 0.36855(2) 0.46758(2) 0.26453(2) 0.01302(3) Uani 1 1 d . . . . .
P2 P 0.30590(6) 0.63254(5) 0.18787(4) 0.01300(12) Uani 1 1 d . . . . .
B2 B 0.7797(3) 0.0522(2) 0.14502(19) 0.0211(6) Uani 1 1 d . . . . .
H2 H 0.8805 0.0424 0.1138 0.025 Uiso 1 1 calc R U . . .
Cl2 Cl 0.02576(9) 1.25311(8) 0.18673(6) 0.0498(2) Uani 1 1 d . . . . .
C2 C 0.4755(2) 0.2736(2) 0.30837(14) 0.0141(5) Uani 1 1 d . . . . .
B3 B 0.6476(3) 0.1043(3) 0.09733(18) 0.0220(6) Uani 1 1 d . . . . .
H3 H 0.6632 0.1283 0.0350 0.026 Uiso 1 1 calc R U . . .
C3 C 0.4238(2) 0.3406(2) 0.36053(14) 0.0141(5) Uani 1 1 d . . . . .
B4 B 0.5322(3) 0.0338(2) 0.14405(18) 0.0197(6) Uani 1 1 d . . . . .
H4 H 0.4736 0.0124 0.1120 0.024 Uiso 1 1 calc R U . . .
C4 C 0.3102(2) 0.7149(2) 0.51014(14) 0.0141(5) Uani 1 1 d . . . . .
C5 C 0.4314(2) 0.6991(2) 0.45999(14) 0.0171(5) Uani 1 1 d . . . . .
H5 H 0.4764 0.6290 0.4359 0.021 Uiso 1 1 calc R U . . .
B5 B 0.5926(3) -0.0619(2) 0.22131(18) 0.0187(6) Uani 1 1 d . . . . .
H5A H 0.5730 -0.1449 0.2391 0.022 Uiso 1 1 calc R U . . .
C6 C 0.4852(3) 0.7883(2) 0.44589(16) 0.0222(6) Uani 1 1 d . . . . .
H6 H 0.5659 0.7781 0.4122 0.027 Uiso 1 1 calc R U . . .
B6 B 0.7452(3) -0.0498(2) 0.22198(18) 0.0179(6) Uani 1 1 d . . . . .
H6A H 0.8243 -0.1256 0.2404 0.021 Uiso 1 1 calc R U . . .
C7 C 0.4186(3) 0.8914(2) 0.48194(16) 0.0250(6) Uani 1 1 d . . . . .
H7 H 0.4546 0.9509 0.4724 0.030 Uiso 1 1 calc R U . . .
B7 B 0.6570(3) 0.1919(2) 0.16315(17) 0.0177(6) Uani 1 1 d . . . . .
H7A H 0.6779 0.2742 0.1442 0.021 Uiso 1 1 calc R U . . .
C8 C 0.2985(3) 0.9079(2) 0.53233(16) 0.0261(6) Uani 1 1 d . . . . .
H8 H 0.2546 0.9779 0.5567 0.031 Uiso 1 1 calc R U . . .
B8 B 0.5030(3) 0.1816(2) 0.16259(17) 0.0171(6) Uani 1 1 d . . . . .
H8A H 0.4242 0.2569 0.1435 0.021 Uiso 1 1 calc R U . . .
C9 C 0.2435(3) 0.8198(2) 0.54647(15) 0.0207(5) Uani 1 1 d . . . . .
H9 H 0.1626 0.8309 0.5800 0.025 Uiso 1 1 calc R U . . .
B9 B 0.4693(3) 0.0774(2) 0.23972(17) 0.0159(6) Uani 1 1 d . . . . .
H9A H 0.3687 0.0857 0.2705 0.019 Uiso 1 1 calc R U . . .
C10 C 0.2488(2) 0.5388(2) 0.62628(14) 0.0139(5) Uani 1 1 d . . . . .
B10 B 0.6021(3) 0.0247(2) 0.28829(17) 0.0163(6) Uani 1 1 d . . . . .
H10 H 0.5875 -0.0013 0.3504 0.020 Uiso 1 1 calc R U . . .
C11 C 0.2936(2) 0.5843(2) 0.67492(15) 0.0186(5) Uani 1 1 d . . . . .
H11 H 0.3177 0.6506 0.6584 0.022 Uiso 1 1 calc R U . . .
B11 B 0.7179(3) 0.0965(2) 0.24082(17) 0.0160(6) Uani 1 1 d . . . . .
H11A H 0.7778 0.1172 0.2723 0.019 Uiso 1 1 calc R U . . .
C13 C 0.2683(3) 0.4311(2) 0.77298(16) 0.0233(6) Uani 1 1 d . . . . .
H13 H 0.2767 0.3942 0.8216 0.028 Uiso 1 1 calc R U . . .
C12 C 0.3025(3) 0.5309(2) 0.74841(15) 0.0221(6) Uani 1 1 d . . . . .
H12 H 0.3314 0.5623 0.7812 0.027 Uiso 1 1 calc R U . . .
B12 B 0.5473(3) 0.1752(2) 0.25126(16) 0.0128(5) Uani 1 1 d . . . . .
C14 C 0.2218(3) 0.3866(2) 0.72493(16) 0.0261(6) Uani 1 1 d . . . . .
H14 H 0.1964 0.3211 0.7419 0.031 Uiso 1 1 calc R U . . .
C15 C 0.2130(3) 0.4390(2) 0.65189(16) 0.0224(6) Uani 1 1 d . . . . .
H15 H 0.1830 0.4077 0.6196 0.027 Uiso 1 1 calc R U . . .
C16 C 0.0686(2) 0.6706(2) 0.52805(15) 0.0163(5) Uani 1 1 d . . . . .
C17 C -0.0265(3) 0.6982(2) 0.59589(16) 0.0226(6) Uani 1 1 d . . . . .
H17 H -0.0024 0.6806 0.6432 0.027 Uiso 1 1 calc R U . . .
C18 C -0.1574(3) 0.7522(2) 0.59270(19) 0.0308(7) Uani 1 1 d . . . . .
H18 H -0.2209 0.7702 0.6380 0.037 Uiso 1 1 calc R U . . .
C19 C -0.1939(3) 0.7793(2) 0.5227(2) 0.0310(7) Uani 1 1 d . . . . .
H19 H -0.2818 0.8147 0.5210 0.037 Uiso 1 1 calc R U . . .
C20 C -0.0999(3) 0.7539(2) 0.45488(19) 0.0292(7) Uani 1 1 d . . . . .
H20 H -0.1246 0.7732 0.4077 0.035 Uiso 1 1 calc R U . . .
C21 C 0.0314(3) 0.6994(2) 0.45721(16) 0.0225(6) Uani 1 1 d . . . . .
H21 H 0.0944 0.6822 0.4116 0.027 Uiso 1 1 calc R U . . .
C22 C 0.2333(2) 0.7621(2) 0.24313(14) 0.0147(5) Uani 1 1 d . . . . .
C23 C 0.3083(2) 0.7860(2) 0.28507(15) 0.0176(5) Uani 1 1 d . . . . .
H23 H 0.3951 0.7379 0.2825 0.021 Uiso 1 1 calc R U . . .
C24 C 0.2539(3) 0.8814(2) 0.33046(15) 0.0204(5) Uani 1 1 d . . . . .
H24 H 0.3046 0.8979 0.3576 0.024 Uiso 1 1 calc R U . . .
C25 C 0.1242(3) 0.9521(2) 0.33555(16) 0.0248(6) Uani 1 1 d . . . . .
H25 H 0.0876 1.0155 0.3666 0.030 Uiso 1 1 calc R U . . .
C26 C 0.0493(3) 0.9288(2) 0.29473(18) 0.0287(7) Uani 1 1 d . . . . .
H26 H -0.0378 0.9763 0.2984 0.034 Uiso 1 1 calc R U . . .
C27 C 0.1036(3) 0.8344(2) 0.24804(16) 0.0224(6) Uani 1 1 d . . . . .
H27 H 0.0530 0.8197 0.2200 0.027 Uiso 1 1 calc R U . . .
C28 C 0.4478(2) 0.6494(2) 0.11850(14) 0.0141(5) Uani 1 1 d . . . . .
C29 C 0.5384(2) 0.5479(2) 0.08361(15) 0.0171(5) Uani 1 1 d . . . . .
H29 H 0.5245 0.4763 0.0966 0.021 Uiso 1 1 calc R U . . .
C30 C 0.6489(2) 0.5546(2) 0.02962(15) 0.0207(5) Uani 1 1 d . . . . .
H30 H 0.7096 0.4871 0.0067 0.025 Uiso 1 1 calc R U . . .
C31 C 0.6691(2) 0.6615(2) 0.00970(15) 0.0203(5) Uani 1 1 d . . . . .
H31 H 0.7432 0.6657 -0.0267 0.024 Uiso 1 1 calc R U . . .
C32 C 0.5789(3) 0.7625(2) 0.04405(15) 0.0206(5) Uani 1 1 d . . . . .
H32 H 0.5928 0.8341 0.0306 0.025 Uiso 1 1 calc R U . . .
C33 C 0.4681(2) 0.7568(2) 0.09830(15) 0.0185(5) Uani 1 1 d . . . . .
H33 H 0.4076 0.8245 0.1211 0.022 Uiso 1 1 calc R U . . .
C34 C 0.1886(2) 0.6413(2) 0.13245(15) 0.0162(5) Uani 1 1 d . . . . .
C35 C 0.1242(2) 0.5602(2) 0.14785(15) 0.0196(5) Uani 1 1 d . . . . .
H35 H 0.1405 0.5010 0.1871 0.024 Uiso 1 1 calc R U . . .
C36 C 0.0350(3) 0.5677(3) 0.10444(16) 0.0250(6) Uani 1 1 d . . . . .
H36 H -0.0081 0.5134 0.1146 0.030 Uiso 1 1 calc R U . . .
C37 C 0.0108(3) 0.6557(3) 0.04658(17) 0.0284(6) Uani 1 1 d . . . . .
H37 H -0.0491 0.6607 0.0179 0.034 Uiso 1 1 calc R U . . .
C38 C 0.0750(3) 0.7367(3) 0.03070(17) 0.0278(6) Uani 1 1 d . . . . .
H38 H 0.0584 0.7959 -0.0085 0.033 Uiso 1 1 calc R U . . .
C39 C 0.1641(3) 0.7292(2) 0.07342(16) 0.0230(6) Uani 1 1 d . . . . .
H39 H 0.2078 0.7832 0.0626 0.028 Uiso 1 1 calc R U . . .
C40 C 0.1774(3) 1.1412(3) 0.15988(17) 0.0308(7) Uani 1 1 d . . . . .
H40A H 0.1908 1.0818 0.2024 0.037 Uiso 1 1 calc R U . . .
H40B H 0.2467 1.1742 0.1493 0.037 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 C3 2.012(2) . ?
Au1 P1 2.2685(6) . ?
Au1 Au2 3.1026(2) . ?
P1 C4 1.810(2) . ?
P1 C16 1.812(2) . ?
P1 C10 1.815(2) . ?
Cl1 C40 1.764(3) . ?
C1 B3 1.702(4) . ?
C1 B6 1.705(4) . ?
C1 B4 1.705(4) . ?
C1 B2 1.708(4) . ?
C1 B5 1.710(4) . ?
C1 H1 1.1000 . ?
Au2 C3 2.188(2) . ?
Au2 P2 2.2480(6) . ?
Au2 C2 2.346(2) . ?
P2 C28 1.812(2) . ?
P2 C22 1.814(2) . ?
P2 C34 1.815(3) . ?
B2 B7 1.772(4) . ?
B2 B3 1.774(4) . ?
B2 B11 1.774(4) . ?
B2 B6 1.778(4) . ?
B2 H2 1.1000 . ?
Cl2 C40 1.757(3) . ?
C2 C3 1.225(3) . ?
C2 B12 1.551(3) . ?
B3 B7 1.764(4) . ?
B3 B8 1.776(4) . ?
B3 B4 1.780(4) . ?
B3 H3 1.1000 . ?
B4 B9 1.770(4) . ?
B4 B5 1.777(4) . ?
B4 B8 1.783(4) . ?
B4 H4 1.1000 . ?
C4 C5 1.392(3) . ?
C4 C9 1.393(3) . ?
C5 C6 1.394(4) . ?
C5 H5 0.9300 . ?
B5 B10 1.772(4) . ?
B5 B9 1.772(4) . ?
B5 B6 1.781(4) . ?
B5 H5A 1.1000 . ?
C6 C7 1.373(4) . ?
C6 H6 0.9300 . ?
B6 B10 1.766(4) . ?
B6 B11 1.775(4) . ?
B6 H6A 1.1000 . ?
C7 C8 1.383(4) . ?
C7 H7 0.9300 . ?
B7 B12 1.776(4) . ?
B7 B11 1.783(4) . ?
B7 B8 1.788(4) . ?
B7 H7A 1.1000 . ?
C8 C9 1.390(4) . ?
C8 H8 0.9300 . ?
B8 B12 1.775(4) . ?
B8 B9 1.794(4) . ?
B8 H8A 1.1000 . ?
C9 H9 0.9300 . ?
B9 B12 1.787(4) . ?
B9 B10 1.790(4) . ?
B9 H9A 1.1000 . ?
C10 C11 1.385(3) . ?
C10 C15 1.398(3) . ?
B10 B12 1.791(4) . ?
B10 B11 1.798(4) . ?
B10 H10 1.1000 . ?
C11 C12 1.391(4) . ?
C11 H11 0.9300 . ?
B11 B12 1.778(4) . ?
B11 H11A 1.1000 . ?
C13 C14 1.382(4) . ?
C13 C12 1.386(4) . ?
C13 H13 0.9300 . ?
C12 H12 0.9300 . ?
C14 C15 1.380(4) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 C17 1.393(4) . ?
C16 C21 1.398(4) . ?
C17 C18 1.388(4) . ?
C17 H17 0.9300 . ?
C18 C19 1.380(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.384(4) . ?
C19 H19 0.9300 . ?
C20 C21 1.388(4) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 C27 1.390(3) . ?
C22 C23 1.397(3) . ?
C23 C24 1.386(3) . ?
C23 H23 0.9300 . ?
C24 C25 1.384(4) . ?
C24 H24 0.9300 . ?
C25 C26 1.377(4) . ?
C25 H25 0.9300 . ?
C26 C27 1.390(4) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 C33 1.393(3) . ?
C28 C29 1.399(3) . ?
C29 C30 1.387(4) . ?
C29 H29 0.9300 . ?
C30 C31 1.386(4) . ?
C30 H30 0.9300 . ?
C31 C32 1.391(4) . ?
C31 H31 0.9300 . ?
C32 C33 1.388(4) . ?
C32 H32 0.9300 . ?
C33 H33 0.9300 . ?
C34 C35 1.387(3) . ?
C34 C39 1.392(4) . ?
C35 C36 1.394(4) . ?
C35 H35 0.9300 . ?
C36 C37 1.377(4) . ?
C36 H36 0.9300 . ?
C37 C38 1.385(4) . ?
C37 H37 0.9300 . ?
C38 C39 1.384(4) . ?
C38 H38 0.9300 . ?
C39 H39 0.9300 . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C3 Au1 P1 177.32(7) . . ?
C3 Au1 Au2 44.62(7) . . ?
P1 Au1 Au2 132.754(16) . . ?
C4 P1 C16 106.03(11) . . ?
C4 P1 C10 106.35(11) . . ?
C16 P1 C10 106.06(11) . . ?
C4 P1 Au1 113.43(8) . . ?
C16 P1 Au1 111.68(8) . . ?
C10 P1 Au1 112.74(7) . . ?
B3 C1 B6 114.6(2) . . ?
B3 C1 B4 62.98(17) . . ?
B6 C1 B4 114.8(2) . . ?
B3 C1 B2 62.72(18) . . ?
B6 C1 B2 62.82(17) . . ?
B4 C1 B2 115.20(19) . . ?
B3 C1 B5 114.99(19) . . ?
B6 C1 B5 62.87(17) . . ?
B4 C1 B5 62.73(17) . . ?
B2 C1 B5 115.3(2) . . ?
B3 C1 H1 117.7 . . ?
B6 C1 H1 117.7 . . ?
B4 C1 H1 117.5 . . ?
B2 C1 H1 117.4 . . ?
B5 C1 H1 117.4 . . ?
C3 Au2 P2 164.72(6) . . ?
C3 Au2 C2 31.10(9) . . ?
P2 Au2 C2 162.33(6) . . ?
C3 Au2 Au1 40.24(6) . . ?
P2 Au2 Au1 125.177(16) . . ?
C2 Au2 Au1 71.33(6) . . ?
C28 P2 C22 106.93(11) . . ?
C28 P2 C34 106.20(11) . . ?
C22 P2 C34 105.99(11) . . ?
C28 P2 Au2 109.50(8) . . ?
C22 P2 Au2 111.06(8) . . ?
C34 P2 Au2 116.64(8) . . ?
C1 B2 B7 104.3(2) . . ?
C1 B2 B3 58.47(17) . . ?
B7 B2 B3 59.66(16) . . ?
C1 B2 B11 104.5(2) . . ?
B7 B2 B11 60.37(16) . . ?
B3 B2 B11 107.9(2) . . ?
C1 B2 B6 58.50(16) . . ?
B7 B2 B6 108.0(2) . . ?
B3 B2 B6 107.6(2) . . ?
B11 B2 B6 59.93(16) . . ?
C1 B2 H2 125.1 . . ?
B7 B2 H2 122.4 . . ?
B3 B2 H2 121.8 . . ?
B11 B2 H2 122.2 . . ?
B6 B2 H2 121.6 . . ?
C3 C2 B12 171.9(2) . . ?
C3 C2 Au2 67.32(14) . . ?
B12 C2 Au2 120.75(16) . . ?
C1 B3 B7 104.9(2) . . ?
C1 B3 B2 58.81(16) . . ?
B7 B3 B2 60.11(17) . . ?
C1 B3 B8 105.0(2) . . ?
B7 B3 B8 60.66(16) . . ?
B2 B3 B8 108.8(2) . . ?
C1 B3 B4 58.60(16) . . ?
B7 B3 B4 108.7(2) . . ?
B2 B3 B4 108.3(2) . . ?
B8 B3 B4 60.22(17) . . ?
C1 B3 H3 124.8 . . ?
B7 B3 H3 122.0 . . ?
B2 B3 H3 121.2 . . ?
B8 B3 H3 121.8 . . ?
B4 B3 H3 121.3 . . ?
C2 C3 Au1 176.3(2) . . ?
C2 C3 Au2 81.58(16) . . ?
Au1 C3 Au2 95.14(9) . . ?
C1 B4 B9 104.6(2) . . ?
C1 B4 B5 58.78(16) . . ?
B9 B4 B5 59.95(16) . . ?
C1 B4 B3 58.42(16) . . ?
B9 B4 B3 108.2(2) . . ?
B5 B4 B3 108.0(2) . . ?
C1 B4 B8 104.5(2) . . ?
B9 B4 B8 60.65(16) . . ?
B5 B4 B8 108.5(2) . . ?
B3 B4 B8 59.79(16) . . ?
C1 B4 H4 125.0 . . ?
B9 B4 H4 122.1 . . ?
B5 B4 H4 121.3 . . ?
B3 B4 H4 121.6 . . ?
B8 B4 H4 122.1 . . ?
C5 C4 C9 119.8(2) . . ?
C5 C4 P1 119.74(18) . . ?
C9 C4 P1 120.49(19) . . ?
C4 C5 C6 120.0(2) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C1 B5 B10 104.3(2) . . ?
C1 B5 B9 104.34(19) . . ?
B10 B5 B9 60.69(16) . . ?
C1 B5 B4 58.50(16) . . ?
B10 B5 B4 108.31(19) . . ?
B9 B5 B4 59.82(16) . . ?
C1 B5 B6 58.41(16) . . ?
B10 B5 B6 59.62(16) . . ?
B9 B5 B6 107.99(19) . . ?
B4 B5 B6 107.7(2) . . ?
C1 B5 H5A 125.2 . . ?
B10 B5 H5A 122.2 . . ?
B9 B5 H5A 122.2 . . ?
B4 B5 H5A 121.5 . . ?
B6 B5 H5A 121.8 . . ?
C7 C6 C5 119.7(3) . . ?
C7 C6 H6 120.1 . . ?
C5 C6 H6 120.1 . . ?
C1 B6 B10 104.79(19) . . ?
C1 B6 B11 104.66(19) . . ?
B10 B6 B11 61.02(16) . . ?
C1 B6 B2 58.69(17) . . ?
B10 B6 B2 108.90(19) . . ?
B11 B6 B2 59.93(16) . . ?
C1 B6 B5 58.71(16) . . ?
B10 B6 B5 59.93(16) . . ?
B11 B6 B5 108.73(19) . . ?
B2 B6 B5 108.4(2) . . ?
C1 B6 H6A 125.0 . . ?
B10 B6 H6A 121.8 . . ?
B11 B6 H6A 122.0 . . ?
B2 B6 H6A 121.2 . . ?
B5 B6 H6A 121.2 . . ?
C6 C7 C8 120.8(2) . . ?
C6 C7 H7 119.6 . . ?
C8 C7 H7 119.6 . . ?
B3 B7 B2 60.22(17) . . ?
B3 B7 B12 107.3(2) . . ?
B2 B7 B12 107.5(2) . . ?
B3 B7 B11 108.0(2) . . ?
B2 B7 B11 59.87(16) . . ?
B12 B7 B11 59.94(15) . . ?
B3 B7 B8 59.99(17) . . ?
B2 B7 B8 108.4(2) . . ?
B12 B7 B8 59.74(16) . . ?
B11 B7 B8 108.3(2) . . ?
B3 B7 H7A 121.9 . . ?
B2 B7 H7A 121.6 . . ?
B12 B7 H7A 122.3 . . ?
B11 B7 H7A 121.6 . . ?
B8 B7 H7A 121.5 . . ?
C7 C8 C9 120.0(2) . . ?
C7 C8 H8 120.0 . . ?
C9 C8 H8 120.0 . . ?
B12 B8 B3 106.8(2) . . ?
B12 B8 B4 107.03(19) . . ?
B3 B8 B4 60.00(16) . . ?
B12 B8 B7 59.79(16) . . ?
B3 B8 B7 59.35(17) . . ?
B4 B8 B7 107.45(19) . . ?
B12 B8 B9 60.07(16) . . ?
B3 B8 B9 107.27(19) . . ?
B4 B8 B9 59.30(16) . . ?
B7 B8 B9 107.9(2) . . ?
B12 B8 H8A 122.3 . . ?
B3 B8 H8A 122.4 . . ?
B4 B8 H8A 122.2 . . ?
B7 B8 H8A 121.9 . . ?
B9 B8 H8A 121.9 . . ?
C8 C9 C4 119.7(2) . . ?
C8 C9 H9 120.1 . . ?
C4 C9 H9 120.1 . . ?
B4 B9 B5 60.23(16) . . ?
B4 B9 B12 107.1(2) . . ?
B5 B9 B12 107.41(19) . . ?
B4 B9 B10 107.80(19) . . ?
B5 B9 B10 59.64(16) . . ?
B12 B9 B10 60.09(15) . . ?
B4 B9 B8 60.05(16) . . ?
B5 B9 B8 108.3(2) . . ?
B12 B9 B8 59.42(16) . . ?
B10 B9 B8 108.0(2) . . ?
B4 B9 H9A 121.9 . . ?
B5 B9 H9A 121.7 . . ?
B12 B9 H9A 122.4 . . ?
B10 B9 H9A 121.7 . . ?
B8 B9 H9A 121.6 . . ?
C11 C10 C15 119.3(2) . . ?
C11 C10 P1 123.08(19) . . ?
C15 C10 P1 117.57(19) . . ?
B6 B10 B5 60.44(16) . . ?
B6 B10 B9 107.8(2) . . ?
B5 B10 B9 59.67(15) . . ?
B6 B10 B12 106.9(2) . . ?
B5 B10 B12 107.2(2) . . ?
B9 B10 B12 59.85(15) . . ?
B6 B10 B11 59.72(16) . . ?
B5 B10 B11 108.1(2) . . ?
B9 B10 B11 107.74(19) . . ?
B12 B10 B11 59.40(15) . . ?
B6 B10 H10 121.9 . . ?
B5 B10 H10 121.7 . . ?
B9 B10 H10 121.8 . . ?
B12 B10 H10 122.6 . . ?
B11 B10 H10 121.9 . . ?
C10 C11 C12 120.1(2) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
B2 B11 B6 60.14(16) . . ?
B2 B11 B12 107.3(2) . . ?
B6 B11 B12 107.07(19) . . ?
B2 B11 B7 59.76(16) . . ?
B6 B11 B7 107.7(2) . . ?
B12 B11 B7 59.81(15) . . ?
B2 B11 B10 107.7(2) . . ?
B6 B11 B10 59.26(16) . . ?
B12 B11 B10 60.11(15) . . ?
B7 B11 B10 108.1(2) . . ?
B2 B11 H11A 121.9 . . ?
B6 B11 H11A 122.2 . . ?
B12 B11 H11A 122.2 . . ?
B7 B11 H11A 121.7 . . ?
B10 B11 H11A 121.8 . . ?
C14 C13 C12 119.7(3) . . ?
C14 C13 H13 120.1 . . ?
C12 C13 H13 120.1 . . ?
C13 C12 C11 120.3(3) . . ?
C13 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?
C2 B12 B8 122.5(2) . . ?
C2 B12 B7 123.2(2) . . ?
B8 B12 B7 60.47(16) . . ?
C2 B12 B11 120.8(2) . . ?
B8 B12 B11 109.08(19) . . ?
B7 B12 B11 60.25(15) . . ?
C2 B12 B9 120.4(2) . . ?
B8 B12 B9 60.51(16) . . ?
B7 B12 B9 108.79(19) . . ?
B11 B12 B9 108.79(18) . . ?
C2 B12 B10 119.3(2) . . ?
B8 B12 B10 108.88(19) . . ?
B7 B12 B10 108.70(18) . . ?
B11 B12 B10 60.49(15) . . ?
B9 B12 B10 60.07(15) . . ?
C15 C14 C13 120.4(3) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C14 C15 C10 120.3(3) . . ?
C14 C15 H15 119.9 . . ?
C10 C15 H15 119.9 . . ?
C17 C16 C21 119.5(2) . . ?
C17 C16 P1 122.2(2) . . ?
C21 C16 P1 118.3(2) . . ?
C18 C17 C16 119.9(3) . . ?
C18 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
C19 C18 C17 120.4(3) . . ?
C19 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
C18 C19 C20 120.1(3) . . ?
C18 C19 H19 119.9 . . ?
C20 C19 H19 119.9 . . ?
C19 C20 C21 120.1(3) . . ?
C19 C20 H20 120.0 . . ?
C21 C20 H20 120.0 . . ?
C20 C21 C16 120.0(3) . . ?
C20 C21 H21 120.0 . . ?
C16 C21 H21 120.0 . . ?
C27 C22 C23 119.2(2) . . ?
C27 C22 P2 121.9(2) . . ?
C23 C22 P2 118.82(18) . . ?
C24 C23 C22 120.2(2) . . ?
C24 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
C25 C24 C23 120.2(2) . . ?
C25 C24 H24 119.9 . . ?
C23 C24 H24 119.9 . . ?
C26 C25 C24 120.1(2) . . ?
C26 C25 H25 120.0 . . ?
C24 C25 H25 120.0 . . ?
C25 C26 C27 120.2(2) . . ?
C25 C26 H26 119.9 . . ?
C27 C26 H26 119.9 . . ?
C22 C27 C26 120.2(2) . . ?
C22 C27 H27 119.9 . . ?
C26 C27 H27 119.9 . . ?
C33 C28 C29 119.9(2) . . ?
C33 C28 P2 123.28(18) . . ?
C29 C28 P2 116.77(19) . . ?
C30 C29 C28 119.8(2) . . ?
C30 C29 H29 120.1 . . ?
C28 C29 H29 120.1 . . ?
C31 C30 C29 120.1(2) . . ?
C31 C30 H30 119.9 . . ?
C29 C30 H30 119.9 . . ?
C30 C31 C32 120.1(2) . . ?
C30 C31 H31 120.0 . . ?
C32 C31 H31 120.0 . . ?
C33 C32 C31 120.2(2) . . ?
C33 C32 H32 119.9 . . ?
C31 C32 H32 119.9 . . ?
C32 C33 C28 119.8(2) . . ?
C32 C33 H33 120.1 . . ?
C28 C33 H33 120.1 . . ?
C35 C34 C39 119.6(2) . . ?
C35 C34 P2 120.59(19) . . ?
C39 C34 P2 119.8(2) . . ?
C34 C35 C36 119.9(2) . . ?
C34 C35 H35 120.1 . . ?
C36 C35 H35 120.1 . . ?
C37 C36 C35 120.0(3) . . ?
C37 C36 H36 120.0 . . ?
C35 C36 H36 120.0 . . ?
C36 C37 C38 120.5(3) . . ?
C36 C37 H37 119.7 . . ?
C38 C37 H37 119.7 . . ?
C39 C38 C37 119.7(3) . . ?
C39 C38 H38 120.1 . . ?
C37 C38 H38 120.1 . . ?
C38 C39 C34 120.3(3) . . ?
C38 C39 H39 119.9 . . ?
C34 C39 H39 119.9 . . ?
Cl2 C40 Cl1 112.01(16) . . ?
Cl2 C40 H40A 109.2 . . ?
Cl1 C40 H40A 109.2 . . ?
Cl2 C40 H40B 109.2 . . ?
Cl1 C40 H40B 109.2 . . ?
H40A C40 H40B 107.9 . . ?

_refine_diff_density_max         1.333
_refine_diff_density_min         -0.569
_refine_diff_density_rms         0.088

####################################################################### 
# 
# 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_MH187_a
_database_code_depnum_ccdc_archive 'CCDC 1856201'
loop_
_audit_author_name
_audit_author_address
'Maik Finze'
;University of W?rzburg
Germany
;
_audit_update_record             
;
2018-07-16 deposited with the CCDC.	2019-07-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C57 H56 Ag Au B11 P3'
_chemical_formula_sum            'C57 H56 Ag Au B11 P3'
_chemical_formula_weight         1257.67

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'
Ag Ag -0.8971 1.1015 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           29
_space_group_name_H-M_alt        'P c a 21'
_space_group_name_Hall           'P 2c -2ac'

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

_cell_length_a                   20.5131(16)
_cell_length_b                   21.0277(17)
_cell_length_c                   25.367(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     10941.8(15)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9920
_cell_measurement_theta_min      2.1765
_cell_measurement_theta_max      26.7805
_exptl_special_details           
;
The crystal was immersed in a film of perfluoropolyether oil, mounted on a 
polyimide microloop (MicroMounts of MiTeGen) and transferred to stream of cold 
nitrogen (Oxford Cryostream 700).
;
_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.527
_exptl_crystal_F_000             4992
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    3.162
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6232
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   'SadAbs 2014/5 (Bruker AXS)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_source                   'rotating-anode (Nonius FR-591)'
_diffrn_measurement_device_type  'Bruker X8-APEX II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            123726
_diffrn_reflns_av_unetI/netI     0.0390
_diffrn_reflns_av_R_equivalents  0.0503
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.875
_diffrn_reflns_theta_max         26.826
_diffrn_reflns_theta_full        26.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             22489
_reflns_number_gt                19518
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.954
_reflns_Friedel_fraction_max     0.998
_reflns_Friedel_fraction_full    1.000

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

_computing_data_collection       'APEX2 ver. 2014.9 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. V8.34A (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. V8.34A (Bruker AXS)'
_computing_structure_solution    'SHELXT (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'ShelXLe (Huebschle et all, 2011)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_refine_special_details          
;
Refinement of F² against ALL reflections. The weighted R-factor wR and 
goodness of fit S are based on F², conventional R-factors R are based on F, 
with F set to zero for negative F². The threshold expression of F² > 
2sigma(F²) is used only for calculating R-factors(gt) etc. and is not 
relevant to the choice of reflections for refinement. R-factors based on F² 
are statistically about twice as large as those based on F, and R-factors 
based on ALL data will be even larger.
Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0269P)²+3.0683P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     iterative
_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_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.496(3)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         22489
_refine_ls_number_parameters     1316
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0271
_refine_ls_wR_factor_ref         0.0566
_refine_ls_wR_factor_gt          0.0525
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.023
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.28073(2) 0.13459(2) 0.51242(2) 0.01606(5) Uani 1 1 d . . . . .
P1 P 0.23682(8) 0.13204(8) 0.59457(7) 0.0162(3) Uani 1 1 d . . . . .
Ag1 Ag 0.40355(2) 0.06378(2) 0.45037(2) 0.01637(10) Uani 1 1 d . . . . .
C1 C 0.4821(3) 0.2189(3) 0.2544(3) 0.0265(16) Uani 1 1 d . . . . .
H1 H 0.5116 0.2327 0.2201 0.032 Uiso 1 1 calc R U . . .
Au2 Au 0.47355(2) 0.63090(2) 0.48860(2) 0.01595(5) Uani 1 1 d . . . . .
P2 P 0.48642(8) 0.07172(7) 0.51963(7) 0.0159(3) Uani 1 1 d . . . . .
Ag2 Ag 0.34517(2) 0.56109(2) 0.54810(2) 0.01639(10) Uani 1 1 d . . . . .
B2 B 0.5136(4) 0.2320(5) 0.3146(3) 0.036(2) Uani 1 1 d . . . . .
H2 H 0.5617 0.2535 0.3220 0.044 Uiso 1 1 calc R U . . .
C2 C 0.3554(3) 0.1587(3) 0.4032(3) 0.0169(14) Uani 1 1 d . . . . .
B3 B 0.4493(4) 0.2780(4) 0.2906(3) 0.0288(19) Uani 1 1 d . . . . .
H3A H 0.4549 0.3291 0.2823 0.035 Uiso 1 1 calc R U . . .
P3 P 0.38805(8) -0.03661(8) 0.40200(7) 0.0161(3) Uani 1 1 d . . . . .
C3 C 0.3234(3) 0.1456(3) 0.4426(3) 0.0182(14) Uani 1 1 d . . . . .
C4 C 0.2492(4) 0.6881(4) 0.7385(3) 0.042(2) Uani 1 1 d . . . . .
H4A H 0.2149 0.6958 0.7712 0.051 Uiso 1 1 calc R U . . .
P4 P 0.51861(8) 0.62797(8) 0.40647(7) 0.0181(4) Uani 1 1 d . . . . .
B4 B 0.4008(4) 0.2285(4) 0.2503(3) 0.0263(18) Uani 1 1 d . . . . .
H4 H 0.3750 0.2475 0.2157 0.032 Uiso 1 1 calc R U . . .
B5 B 0.4355(4) 0.1517(4) 0.2494(3) 0.0283(19) Uani 1 1 d . . . . .
H5 H 0.4323 0.1210 0.2143 0.034 Uiso 1 1 calc R U . . .
P5 P 0.36318(8) 0.46140(8) 0.59813(7) 0.0172(4) Uani 1 1 d . . . . .
C5 C 0.3952(3) 0.6525(3) 0.5963(3) 0.0171(14) Uani 1 1 d . . . . .
C6 C 0.4284(3) 0.6406(3) 0.5579(3) 0.0162(14) Uani 1 1 d . . . . .
P6 P 0.26614(8) 0.56784(8) 0.47592(7) 0.0161(4) Uani 1 1 d . . . . .
B6 B 0.5061(4) 0.1535(4) 0.2888(4) 0.033(2) Uani 1 1 d . . . . .
H6A H 0.5489 0.1239 0.2795 0.040 Uiso 1 1 calc R U . . .
C7 C 0.4401(3) 0.4480(3) 0.6325(3) 0.0220(15) Uani 1 1 d . . . . .
B7 B 0.4826(4) 0.1708(4) 0.3542(3) 0.032(2) Uani 1 1 d . . . . .
H7 H 0.5098 0.1521 0.3882 0.038 Uiso 1 1 calc R U . . .
C8 C 0.4710(4) 0.4994(3) 0.6564(4) 0.025(2) Uani 1 1 d . . . . .
H8 H 0.4543 0.5402 0.6522 0.029 Uiso 1 1 calc R U . . .
B8 B 0.4471(4) 0.2473(4) 0.3554(3) 0.0302(19) Uani 1 1 d . . . . .
H8A H 0.4509 0.2782 0.3902 0.036 Uiso 1 1 calc R U . . .
C9 C 0.5268(4) 0.4898(5) 0.6865(4) 0.034(2) Uani 1 1 d . . . . .
H9 H 0.5472 0.5241 0.7027 0.040 Uiso 1 1 calc R U . . .
B9 B 0.3759(4) 0.2455(4) 0.3156(3) 0.0242(18) Uani 1 1 d . . . . .
H9A H 0.3334 0.2756 0.3244 0.029 Uiso 1 1 calc R U . . .
C10 C 0.5520(4) 0.4288(5) 0.6922(3) 0.045(2) Uani 1 1 d . . . . .
H10 H 0.5889 0.4223 0.7128 0.054 Uiso 1 1 calc R U . . .
B10 B 0.3671(4) 0.1675(4) 0.2898(3) 0.0226(17) Uani 1 1 d . . . . .
H10A H 0.3188 0.1470 0.2817 0.027 Uiso 1 1 calc R U . . .
C11 C 0.5229(4) 0.3784(4) 0.6677(3) 0.041(2) Uani 1 1 d . . . . .
H11 H 0.5409 0.3380 0.6708 0.049 Uiso 1 1 calc R U . . .
B11 B 0.4331(4) 0.1204(4) 0.3133(3) 0.026(2) Uani 1 1 d . . . . .
H11A H 0.4280 0.0690 0.3206 0.031 Uiso 1 1 calc R U . . .
C13 C 0.3009(3) 0.4347(3) 0.6446(3) 0.0190(14) Uani 1 1 d . . . . .
C12 C 0.4669(3) 0.3874(4) 0.6383(3) 0.0299(18) Uani 1 1 d . . . . .
H12 H 0.4470 0.3527 0.6223 0.036 Uiso 1 1 calc R U . . .
B12 B 0.3959(4) 0.1784(4) 0.3549(3) 0.0178(16) Uani 1 1 d . . . . .
C14 C 0.2368(3) 0.4479(3) 0.6322(3) 0.0262(16) Uani 1 1 d . . . . .
H14 H 0.2272 0.4741 0.6037 0.031 Uiso 1 1 calc R U . . .
C15 C 0.1866(4) 0.4223(4) 0.6623(3) 0.0352(19) Uani 1 1 d . . . . .
H15 H 0.1435 0.4310 0.6534 0.042 Uiso 1 1 calc R U . . .
C16 C 0.2000(4) 0.3844(4) 0.7049(3) 0.038(2) Uani 1 1 d . . . . .
H16 H 0.1663 0.3664 0.7243 0.046 Uiso 1 1 calc R U . . .
C17 C 0.2639(4) 0.3730(3) 0.7186(3) 0.041(2) Uani 1 1 d . . . . .
H17 H 0.2733 0.3487 0.7483 0.049 Uiso 1 1 calc R U . . .
C18 C 0.3142(4) 0.3979(4) 0.6884(3) 0.033(2) Uani 1 1 d . . . . .
H18 H 0.3573 0.3896 0.6976 0.040 Uiso 1 1 calc R U . . .
C19 C 0.3603(3) 0.4005(3) 0.5479(3) 0.0184(14) Uani 1 1 d . . . . .
C21 C 0.3207(4) 0.3019(3) 0.5112(4) 0.0379(19) Uani 1 1 d . . . . .
H21 H 0.2975 0.2642 0.5152 0.045 Uiso 1 1 calc R U . . .
C20 C 0.3262(4) 0.3439(3) 0.5534(3) 0.0322(18) Uani 1 1 d . . . . .
H20 H 0.3068 0.3339 0.5855 0.039 Uiso 1 1 calc R U . . .
C22 C 0.3494(3) 0.3159(4) 0.4637(3) 0.0305(17) Uani 1 1 d . . . . .
H22 H 0.3458 0.2877 0.4355 0.037 Uiso 1 1 calc R U . . .
B22 B 0.3125(4) 0.6394(4) 0.7506(3) 0.031(2) Uani 1 1 d . . . . .
H22A H 0.3222 0.6149 0.7881 0.037 Uiso 1 1 calc R U . . .
C23 C 0.3831(4) 0.3714(3) 0.4580(3) 0.0346(18) Uani 1 1 d . . . . .
H23 H 0.4029 0.3808 0.4260 0.041 Uiso 1 1 calc R U . . .
B23 B 0.3233(5) 0.7221(4) 0.7441(3) 0.037(2) Uani 1 1 d . . . . .
H23A H 0.3398 0.7510 0.7776 0.045 Uiso 1 1 calc R U . . .
C26 C 0.1939(3) 0.5255(3) 0.4982(3) 0.0167(16) Uani 1 1 d . . . . .
B26 B 0.2463(4) 0.6166(5) 0.7091(4) 0.035(2) Uani 1 1 d . . . . .
H26 H 0.2135 0.5772 0.7195 0.041 Uiso 1 1 calc R U . . .
C25 C 0.3880(3) 0.4133(3) 0.4991(3) 0.0305(19) Uani 1 1 d . . . . .
H25 H 0.4105 0.4513 0.4942 0.037 Uiso 1 1 calc R U . . .
B25 B 0.2174(4) 0.6860(5) 0.6772(3) 0.038(2) Uani 1 1 d . . . . .
H25A H 0.1654 0.6914 0.6673 0.046 Uiso 1 1 calc R U . . .
B24 B 0.2647(5) 0.7509(5) 0.6986(4) 0.044(3) Uani 1 1 d . . . . .
H24 H 0.2431 0.7986 0.7026 0.052 Uiso 1 1 calc R U . . .
C29 C 0.0929(4) 0.4583(4) 0.5463(4) 0.0294(19) Uani 1 1 d . . . . .
H29 H 0.0597 0.4357 0.5629 0.035 Uiso 1 1 calc R U . . .
B29 B 0.3467(4) 0.7400(4) 0.6782(3) 0.031(2) Uani 1 1 d . . . . .
H29A H 0.3789 0.7802 0.6684 0.037 Uiso 1 1 calc R U . . .
C28 C 0.1384(3) 0.4268(3) 0.5163(4) 0.0266(17) Uani 1 1 d . . . . .
H28 H 0.1352 0.3830 0.5117 0.032 Uiso 1 1 calc R U . . .
B28 B 0.3761(4) 0.6699(4) 0.7101(3) 0.0226(17) Uani 1 1 d . . . . .
H28A H 0.4279 0.6646 0.7207 0.027 Uiso 1 1 calc R U . . .
C27 C 0.1899(3) 0.4605(3) 0.4926(3) 0.0212(16) Uani 1 1 d . . . . .
H27 H 0.2211 0.4388 0.4730 0.025 Uiso 1 1 calc R U . . .
B27 B 0.3281(4) 0.6044(4) 0.6890(3) 0.0224(18) Uani 1 1 d . . . . .
H27A H 0.3486 0.5562 0.6858 0.027 Uiso 1 1 calc R U . . .
C30 C 0.0965(4) 0.5241(4) 0.5516(4) 0.031(2) Uani 1 1 d . . . . .
H30 H 0.0653 0.5458 0.5712 0.037 Uiso 1 1 calc R U . . .
B30 B 0.2806(4) 0.7176(4) 0.6365(3) 0.0289(19) Uani 1 1 d . . . . .
H30A H 0.2706 0.7431 0.5995 0.035 Uiso 1 1 calc R U . . .
C31 C 0.1465(3) 0.5571(3) 0.5277(3) 0.0252(19) Uani 1 1 d . . . . .
H31 H 0.1486 0.6011 0.5312 0.030 Uiso 1 1 calc R U . . .
B31 B 0.2688(4) 0.6340(4) 0.6430(3) 0.0286(18) Uani 1 1 d . . . . .
H31A H 0.2508 0.6054 0.6098 0.034 Uiso 1 1 calc R U . . .
C33 C 0.2659(3) 0.6989(3) 0.4821(3) 0.0292(17) Uani 1 1 d . . . . .
H33 H 0.3005 0.6929 0.5053 0.035 Uiso 1 1 calc R U . . .
C32 C 0.2373(3) 0.6478(3) 0.4597(3) 0.0162(13) Uani 1 1 d . . . . .
B32 B 0.3499(3) 0.6662(4) 0.6441(3) 0.0182(16) Uani 1 1 d . . . . .
C34 C 0.2446(4) 0.7602(3) 0.4712(3) 0.043(2) Uani 1 1 d . . . . .
H34 H 0.2643 0.7950 0.4874 0.052 Uiso 1 1 calc R U . . .
C36 C 0.1939(3) 0.7690(3) 0.4362(3) 0.0315(18) Uani 1 1 d . . . . .
H36 H 0.1796 0.8100 0.4285 0.038 Uiso 1 1 calc R U . . .
C37 C 0.1652(4) 0.7188(4) 0.4133(3) 0.042(2) Uani 1 1 d . . . . .
H37 H 0.1308 0.7250 0.3900 0.051 Uiso 1 1 calc R U . . .
C38 C 0.1864(4) 0.6582(4) 0.4241(4) 0.045(2) Uani 1 1 d . . . . .
H38 H 0.1666 0.6237 0.4076 0.055 Uiso 1 1 calc R U . . .
C39 C 0.2858(3) 0.5324(3) 0.4125(3) 0.0165(14) Uani 1 1 d . . . . .
C40 C 0.3504(3) 0.5247(3) 0.3987(3) 0.0259(17) Uani 1 1 d . . . . .
H40 H 0.3826 0.5358 0.4228 0.031 Uiso 1 1 calc R U . . .
C41 C 0.3683(5) 0.5013(3) 0.3508(4) 0.030(2) Uani 1 1 d . . . . .
H41 H 0.4122 0.4958 0.3428 0.036 Uiso 1 1 calc R U . . .
C42 C 0.3207(4) 0.4855(4) 0.3138(3) 0.0302(18) Uani 1 1 d . . . . .
H42 H 0.3327 0.4705 0.2807 0.036 Uiso 1 1 calc R U . . .
C43 C 0.2551(5) 0.4925(4) 0.3269(4) 0.031(2) Uani 1 1 d . . . . .
H43 H 0.2228 0.4820 0.3027 0.037 Uiso 1 1 calc R U . . .
C44 C 0.2386(4) 0.5149(4) 0.3757(3) 0.0261(17) Uani 1 1 d . . . . .
H44 H 0.1948 0.5187 0.3845 0.031 Uiso 1 1 calc R U . . .
C46 C 0.4027(3) 0.6847(3) 0.3753(3) 0.0276(17) Uani 1 1 d . . . . .
H46 H 0.3857 0.6675 0.4061 0.033 Uiso 1 1 calc R U . . .
C45 C 0.4670(3) 0.6719(3) 0.3612(3) 0.0215(15) Uani 1 1 d . . . . .
C47 C 0.3638(4) 0.7229(4) 0.3438(3) 0.0324(18) Uani 1 1 d . . . . .
H47 H 0.3210 0.7312 0.3537 0.039 Uiso 1 1 calc R U . . .
C48 C 0.3882(4) 0.7483(3) 0.2984(3) 0.039(2) Uani 1 1 d . . . . .
H48 H 0.3620 0.7741 0.2774 0.047 Uiso 1 1 calc R U . . .
C49 C 0.4517(4) 0.7358(4) 0.2836(3) 0.039(2) Uani 1 1 d . . . . .
H49 H 0.4683 0.7529 0.2526 0.046 Uiso 1 1 calc R U . . .
C50 C 0.4902(4) 0.6981(3) 0.3148(3) 0.0327(18) Uani 1 1 d . . . . .
H50 H 0.5329 0.6899 0.3045 0.039 Uiso 1 1 calc R U . . .
C51 C 0.5963(3) 0.6695(3) 0.4006(3) 0.0233(15) Uani 1 1 d . . . . .
C52 C 0.5985(4) 0.7322(4) 0.4156(4) 0.059(3) Uani 1 1 d . . . . .
H52 H 0.5618 0.7512 0.4303 0.071 Uiso 1 1 calc R U . . .
C53 C 0.6551(4) 0.7672(5) 0.4091(5) 0.069(4) Uani 1 1 d . . . . .
H53 H 0.6562 0.8099 0.4188 0.083 Uiso 1 1 calc R U . . .
C54 C 0.7095(3) 0.7390(4) 0.3884(3) 0.0360(19) Uani 1 1 d . . . . .
H54 H 0.7477 0.7623 0.3843 0.043 Uiso 1 1 calc R U . . .
C55 C 0.7075(3) 0.6771(4) 0.3740(3) 0.0293(17) Uani 1 1 d . . . . .
H55 H 0.7444 0.6582 0.3597 0.035 Uiso 1 1 calc R U . . .
C56 C 0.6512(3) 0.6416(3) 0.3802(3) 0.0248(16) Uani 1 1 d . . . . .
H56 H 0.6505 0.5990 0.3705 0.030 Uiso 1 1 calc R U . . .
C57 C 0.5317(3) 0.5490(3) 0.3800(3) 0.0189(16) Uani 1 1 d . . . . .
C58 C 0.5446(4) 0.5374(4) 0.3272(3) 0.0239(17) Uani 1 1 d . . . . .
H58 H 0.5463 0.5714 0.3037 0.029 Uiso 1 1 calc R U . . .
C59 C 0.5548(4) 0.4767(4) 0.3089(3) 0.0279(18) Uani 1 1 d . . . . .
H59 H 0.5635 0.4698 0.2734 0.033 Uiso 1 1 calc R U . . .
C60 C 0.5523(3) 0.4263(4) 0.3432(3) 0.0286(18) Uani 1 1 d . . . . .
H60 H 0.5590 0.3851 0.3309 0.034 Uiso 1 1 calc R U . . .
C61 C 0.5398(4) 0.4366(4) 0.3959(3) 0.0290(19) Uani 1 1 d . . . . .
H61 H 0.5382 0.4025 0.4192 0.035 Uiso 1 1 calc R U . . .
C62 C 0.5295(4) 0.4983(3) 0.4143(4) 0.022(2) Uani 1 1 d . . . . .
H62 H 0.5211 0.5052 0.4499 0.027 Uiso 1 1 calc R U . . .
C63 C 0.5157(3) 0.1513(3) 0.5353(3) 0.0222(15) Uani 1 1 d . . . . .
C64 C 0.4846(3) 0.2030(3) 0.5138(3) 0.0282(15) Uani 1 1 d . . . . .
H64 H 0.4493 0.1970 0.4914 0.034 Uiso 1 1 calc R U . . .
C65 C 0.5056(4) 0.2641(4) 0.5255(3) 0.042(2) Uani 1 1 d . . . . .
H65 H 0.4833 0.2989 0.5117 0.050 Uiso 1 1 calc R U . . .
C66 C 0.5589(4) 0.2735(4) 0.5571(3) 0.037(2) Uani 1 1 d . . . . .
H66 H 0.5734 0.3145 0.5643 0.045 Uiso 1 1 calc R U . . .
C67 C 0.5901(4) 0.2227(4) 0.5778(4) 0.048(2) Uani 1 1 d . . . . .
H67 H 0.6262 0.2291 0.5993 0.058 Uiso 1 1 calc R U . . .
C68 C 0.5693(4) 0.1616(4) 0.5674(4) 0.043(2) Uani 1 1 d . . . . .
H68 H 0.5913 0.1272 0.5821 0.051 Uiso 1 1 calc R U . . .
C69 C 0.5594(3) 0.0292(3) 0.4972(3) 0.0188(17) Uani 1 1 d . . . . .
C70 C 0.6061(3) 0.0597(3) 0.4683(3) 0.0238(18) Uani 1 1 d . . . . .
H70 H 0.6038 0.1036 0.4637 0.029 Uiso 1 1 calc R U . . .
C71 C 0.6569(4) 0.0256(4) 0.4457(3) 0.0283(19) Uani 1 1 d . . . . .
H71 H 0.6888 0.0467 0.4265 0.034 Uiso 1 1 calc R U . . .
C72 C 0.6601(4) -0.0392(4) 0.4517(3) 0.0268(18) Uani 1 1 d . . . . .
H72 H 0.6939 -0.0620 0.4360 0.032 Uiso 1 1 calc R U . . .
C73 C 0.6131(4) -0.0706(3) 0.4810(3) 0.0260(17) Uani 1 1 d . . . . .
H73 H 0.6157 -0.1143 0.4857 0.031 Uiso 1 1 calc R U . . .
C74 C 0.5625(3) -0.0369(3) 0.5032(3) 0.0218(18) Uani 1 1 d . . . . .
H74 H 0.5303 -0.0581 0.5222 0.026 Uiso 1 1 calc R U . . .
C75 C 0.5162(4) 0.0176(4) 0.6187(3) 0.0245(16) Uani 1 1 d . . . . .
H75 H 0.5598 0.0245 0.6107 0.029 Uiso 1 1 calc R U . . .
C76 C 0.4994(4) -0.0100(4) 0.6659(4) 0.031(2) Uani 1 1 d . . . . .
H76 H 0.5318 -0.0216 0.6896 0.038 Uiso 1 1 calc R U . . .
C77 C 0.4349(4) -0.0204(4) 0.6783(3) 0.0324(18) Uani 1 1 d . . . . .
H77 H 0.4243 -0.0390 0.7104 0.039 Uiso 1 1 calc R U . . .
C78 C 0.3865(5) -0.0041(3) 0.6445(5) 0.033(2) Uani 1 1 d . . . . .
H78 H 0.3431 -0.0115 0.6533 0.040 Uiso 1 1 calc R U . . .
C79 C 0.4028(3) 0.0242(3) 0.5961(3) 0.0233(16) Uani 1 1 d . . . . .
H79 H 0.3699 0.0357 0.5727 0.028 Uiso 1 1 calc R U . . .
C80 C 0.4680(3) 0.0351(3) 0.5827(3) 0.0173(14) Uani 1 1 d . . . . .
C81 C 0.3900(3) -0.1009(3) 0.4510(3) 0.0171(14) Uani 1 1 d . . . . .
C82 C 0.3603(3) -0.0892(3) 0.4989(3) 0.0222(16) Uani 1 1 d . . . . .
H82 H 0.3380 -0.0512 0.5041 0.027 Uiso 1 1 calc R U . . .
C83 C 0.3634(3) -0.1332(3) 0.5390(3) 0.0281(16) Uani 1 1 d . . . . .
H83 H 0.3438 -0.1244 0.5713 0.034 Uiso 1 1 calc R U . . .
C84 C 0.3954(3) -0.1901(3) 0.5316(3) 0.0260(16) Uani 1 1 d . . . . .
H84 H 0.3972 -0.2201 0.5585 0.031 Uiso 1 1 calc R U . . .
C85 C 0.4249(3) -0.2019(3) 0.4832(3) 0.0280(16) Uani 1 1 d . . . . .
H85 H 0.4464 -0.2402 0.4777 0.034 Uiso 1 1 calc R U . . .
C86 C 0.4227(3) -0.1574(3) 0.4431(3) 0.0250(16) Uani 1 1 d . . . . .
H86 H 0.4432 -0.1656 0.4111 0.030 Uiso 1 1 calc R U . . .
C87 C 0.4503(3) -0.0577(3) 0.3546(3) 0.0198(14) Uani 1 1 d . . . . .
C88 C 0.4368(4) -0.0858(4) 0.3060(3) 0.0301(18) Uani 1 1 d . . . . .
H88 H 0.3941 -0.0958 0.2970 0.036 Uiso 1 1 calc R U . . .
C89 C 0.4869(4) -0.0990(4) 0.2710(3) 0.038(2) Uani 1 1 d . . . . .
H89 H 0.4774 -0.1164 0.2382 0.046 Uiso 1 1 calc R U . . .
C90 C 0.5506(4) -0.0865(4) 0.2842(3) 0.0377(19) Uani 1 1 d . . . . .
H90 H 0.5842 -0.0964 0.2609 0.045 Uiso 1 1 calc R U . . .
C91 C 0.5642(4) -0.0591(4) 0.3321(3) 0.047(2) Uani 1 1 d . . . . .
H91 H 0.6072 -0.0506 0.3413 0.056 Uiso 1 1 calc R U . . .
C92 C 0.5144(4) -0.0441(4) 0.3667(3) 0.037(2) Uani 1 1 d . . . . .
H92 H 0.5243 -0.0245 0.3986 0.044 Uiso 1 1 calc R U . . .
C93 C 0.3124(3) -0.0480(3) 0.3655(3) 0.0170(14) Uani 1 1 d . . . . .
C94 C 0.2854(4) 0.0049(3) 0.3408(4) 0.022(2) Uani 1 1 d . . . . .
H94 H 0.3037 0.0449 0.3455 0.027 Uiso 1 1 calc R U . . .
C95 C 0.2307(4) -0.0028(4) 0.3091(4) 0.030(2) Uani 1 1 d . . . . .
H95 H 0.2128 0.0321 0.2918 0.036 Uiso 1 1 calc R U . . .
C96 C 0.2027(4) -0.0623(4) 0.3030(3) 0.0354(19) Uani 1 1 d . . . . .
H96 H 0.1657 -0.0670 0.2821 0.042 Uiso 1 1 calc R U . . .
C97 C 0.2291(4) -0.1145(4) 0.3275(3) 0.0333(18) Uani 1 1 d . . . . .
H97 H 0.2104 -0.1544 0.3229 0.040 Uiso 1 1 calc R U . . .
C98 C 0.2840(3) -0.1076(4) 0.3594(3) 0.0284(17) Uani 1 1 d . . . . .
H98 H 0.3017 -0.1428 0.3764 0.034 Uiso 1 1 calc R U . . .
C99 C 0.1608(3) 0.1756(3) 0.5996(2) 0.0162(13) Uani 1 1 d . . . . .
C100 C 0.1618(4) 0.2416(3) 0.5951(3) 0.0252(16) Uani 1 1 d . . . . .
H100 H 0.2012 0.2630 0.5912 0.030 Uiso 1 1 calc R U . . .
C101 C 0.1035(4) 0.2754(3) 0.5967(3) 0.0310(18) Uani 1 1 d . . . . .
H101 H 0.1039 0.3195 0.5944 0.037 Uiso 1 1 calc R U . . .
C102 C 0.0452(3) 0.2435(4) 0.6014(3) 0.0317(18) Uani 1 1 d . . . . .
H102 H 0.0064 0.2664 0.6021 0.038 Uiso 1 1 calc R U . . .
C103 C 0.0438(3) 0.1787(3) 0.6053(3) 0.0267(16) Uani 1 1 d . . . . .
H103 H 0.0042 0.1575 0.6084 0.032 Uiso 1 1 calc R U . . .
C104 C 0.1016(3) 0.1447(3) 0.6047(3) 0.0202(14) Uani 1 1 d . . . . .
H104 H 0.1007 0.1006 0.6078 0.024 Uiso 1 1 calc R U . . .
C105 C 0.2195(3) 0.0526(3) 0.6182(3) 0.0173(16) Uani 1 1 d . . . . .
C106 C 0.2237(4) 0.0026(3) 0.5834(4) 0.022(2) Uani 1 1 d . . . . .
H106 H 0.2342 0.0104 0.5484 0.026 Uiso 1 1 calc R U . . .
C107 C 0.2123(4) -0.0597(3) 0.6002(4) 0.0290(19) Uani 1 1 d . . . . .
H107 H 0.2168 -0.0933 0.5767 0.035 Uiso 1 1 calc R U . . .
C108 C 0.1945(4) -0.0708(4) 0.6510(3) 0.0334(19) Uani 1 1 d . . . . .
H108 H 0.1864 -0.1123 0.6620 0.040 Uiso 1 1 calc R U . . .
C109 C 0.1884(4) -0.0211(4) 0.6865(3) 0.032(2) Uani 1 1 d . . . . .
H109 H 0.1758 -0.0291 0.7211 0.039 Uiso 1 1 calc R U . . .
C110 C 0.2012(3) 0.0401(4) 0.6704(3) 0.0253(17) Uani 1 1 d . . . . .
H110 H 0.1976 0.0735 0.6943 0.030 Uiso 1 1 calc R U . . .
C111 C 0.2913(3) 0.1691(3) 0.6421(3) 0.0198(15) Uani 1 1 d . . . . .
C112 C 0.2697(3) 0.1875(3) 0.6915(3) 0.0256(16) Uani 1 1 d . . . . .
H112 H 0.2261 0.1822 0.7006 0.031 Uiso 1 1 calc R U . . .
C113 C 0.3125(4) 0.2133(4) 0.7271(3) 0.036(2) Uani 1 1 d . . . . .
H113 H 0.2979 0.2252 0.7604 0.044 Uiso 1 1 calc R U . . .
C114 C 0.3772(4) 0.2217(4) 0.7135(3) 0.041(2) Uani 1 1 d . . . . .
H114 H 0.4061 0.2390 0.7378 0.049 Uiso 1 1 calc R U . . .
C115 C 0.3988(3) 0.2047(3) 0.6649(3) 0.0361(19) Uani 1 1 d . . . . .
H115 H 0.4423 0.2107 0.6559 0.043 Uiso 1 1 calc R U . . .
C116 C 0.3560(3) 0.1785(3) 0.6284(3) 0.0243(16) Uani 1 1 d . . . . .
H116 H 0.3707 0.1673 0.5950 0.029 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 C3 1.990(7) . ?
Au1 P1 2.2708(17) . ?
Au1 Ag1 3.3230(6) . ?
P1 C105 1.810(7) . ?
P1 C99 1.813(6) . ?
P1 C111 1.819(7) . ?
Ag1 C3 2.388(6) . ?
Ag1 P2 2.4503(18) . ?
Ag1 P3 2.4623(17) . ?
Ag1 C2 2.528(6) . ?
C1 B2 1.681(11) . ?
C1 B4 1.683(10) . ?
C1 B3 1.686(11) . ?
C1 B6 1.702(11) . ?
C1 B5 1.709(10) . ?
C1 H1 1.1000 . ?
Au2 C6 1.998(7) . ?
Au2 P4 2.2800(17) . ?
Au2 Ag2 3.3717(6) . ?
P2 C80 1.816(7) . ?
P2 C63 1.821(7) . ?
P2 C69 1.835(6) . ?
Ag2 C6 2.403(6) . ?
Ag2 P6 2.4497(17) . ?
Ag2 P5 2.4782(17) . ?
Ag2 C5 2.499(6) . ?
B2 B8 1.743(12) . ?
B2 B3 1.747(13) . ?
B2 B7 1.754(13) . ?
B2 B6 1.784(13) . ?
B2 H2 1.1000 . ?
C2 C3 1.227(9) . ?
C2 B12 1.537(10) . ?
B3 B4 1.765(12) . ?
B3 B8 1.767(12) . ?
B3 B9 1.770(11) . ?
B3 H3A 1.1000 . ?
P3 C87 1.809(7) . ?
P3 C93 1.824(6) . ?
P3 C81 1.837(6) . ?
C4 B26 1.680(13) . ?
C4 B22 1.682(11) . ?
C4 B23 1.685(13) . ?
C4 B25 1.687(11) . ?
C4 B24 1.694(13) . ?
C4 H4A 1.1000 . ?
P4 C57 1.811(7) . ?
P4 C45 1.815(7) . ?
P4 C51 1.823(7) . ?
B4 B5 1.764(12) . ?
B4 B10 1.767(11) . ?
B4 B9 1.769(12) . ?
B4 H4 1.1000 . ?
B5 B11 1.752(12) . ?
B5 B6 1.762(13) . ?
B5 B10 1.768(12) . ?
B5 H5 1.1000 . ?
P5 C19 1.807(7) . ?
P5 C7 1.823(7) . ?
P5 C13 1.827(7) . ?
C5 C6 1.215(9) . ?
C5 B32 1.553(10) . ?
P6 C39 1.817(7) . ?
P6 C26 1.818(6) . ?
P6 C32 1.830(6) . ?
B6 B11 1.765(12) . ?
B6 B7 1.766(12) . ?
B6 H6A 1.1000 . ?
C7 C8 1.391(10) . ?
C7 C12 1.398(9) . ?
B7 B8 1.766(12) . ?
B7 B12 1.784(11) . ?
B7 B11 1.797(13) . ?
B7 H7 1.1000 . ?
C8 C9 1.391(12) . ?
C8 H8 0.9300 . ?
B8 B9 1.774(11) . ?
B8 B12 1.789(11) . ?
B8 H8A 1.1000 . ?
C9 C10 1.390(12) . ?
C9 H9 0.9300 . ?
B9 B10 1.776(11) . ?
B9 B12 1.776(10) . ?
B9 H9A 1.1000 . ?
C10 C11 1.366(12) . ?
C10 H10 0.9300 . ?
B10 B12 1.769(11) . ?
B10 B11 1.780(12) . ?
B10 H10A 1.1000 . ?
C11 C12 1.383(10) . ?
C11 H11 0.9300 . ?
B11 B12 1.784(11) . ?
B11 H11A 1.1000 . ?
C13 C14 1.380(9) . ?
C13 C18 1.380(10) . ?
C12 H12 0.9300 . ?
C14 C15 1.391(10) . ?
C14 H14 0.9300 . ?
C15 C16 1.372(11) . ?
C15 H15 0.9300 . ?
C16 C17 1.376(12) . ?
C16 H16 0.9300 . ?
C17 C18 1.390(11) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.387(9) . ?
C19 C25 1.390(10) . ?
C21 C22 1.372(11) . ?
C21 C20 1.393(11) . ?
C21 H21 0.9300 . ?
C20 H20 0.9300 . ?
C22 C23 1.365(10) . ?
C22 H22 0.9300 . ?
B22 B27 1.758(12) . ?
B22 B23 1.760(13) . ?
B22 B28 1.781(12) . ?
B22 B26 1.784(12) . ?
B22 H22A 1.1000 . ?
C23 C25 1.368(10) . ?
C23 H23 0.9300 . ?
B23 B28 1.767(11) . ?
B23 B24 1.773(13) . ?
B23 B29 1.778(13) . ?
B23 H23A 1.1000 . ?
C26 C27 1.378(10) . ?
C26 C31 1.395(10) . ?
B26 B25 1.771(13) . ?
B26 B27 1.772(11) . ?
B26 B31 1.776(12) . ?
B26 H26 1.1000 . ?
C25 H25 0.9300 . ?
B25 B31 1.749(12) . ?
B25 B24 1.760(15) . ?
B25 B30 1.787(12) . ?
B25 H25A 1.1000 . ?
B24 B30 1.754(12) . ?
B24 B29 1.774(13) . ?
B24 H24 1.1000 . ?
C29 C28 1.374(11) . ?
C29 C30 1.393(12) . ?
C29 H29 0.9300 . ?
B29 B32 1.779(11) . ?
B29 B30 1.782(12) . ?
B29 B28 1.788(12) . ?
B29 H29A 1.1000 . ?
C28 C27 1.407(10) . ?
C28 H28 0.9300 . ?
B28 B32 1.762(11) . ?
B28 B27 1.776(11) . ?
B28 H28A 1.1000 . ?
C27 H27 0.9300 . ?
B27 B32 1.784(11) . ?
B27 B31 1.798(11) . ?
B27 H27A 1.1000 . ?
C30 C31 1.379(10) . ?
C30 H30 0.9300 . ?
B30 B31 1.782(12) . ?
B30 B32 1.795(10) . ?
B30 H30A 1.1000 . ?
C31 H31 0.9300 . ?
B31 B32 1.796(10) . ?
B31 H31A 1.1000 . ?
C33 C32 1.349(9) . ?
C33 C34 1.390(9) . ?
C33 H33 0.9300 . ?
C32 C38 1.397(9) . ?
C34 C36 1.379(10) . ?
C34 H34 0.9300 . ?
C36 C37 1.343(11) . ?
C36 H36 0.9300 . ?
C37 C38 1.373(10) . ?
C37 H37 0.9300 . ?
C38 H38 0.9300 . ?
C39 C40 1.380(9) . ?
C39 C44 1.395(10) . ?
C40 C41 1.361(13) . ?
C40 H40 0.9300 . ?
C41 C42 1.394(13) . ?
C41 H41 0.9300 . ?
C42 C43 1.395(12) . ?
C42 H42 0.9300 . ?
C43 C44 1.366(12) . ?
C43 H43 0.9300 . ?
C44 H44 0.9300 . ?
C46 C47 1.384(10) . ?
C46 C45 1.394(9) . ?
C46 H46 0.9300 . ?
C45 C50 1.384(10) . ?
C47 C48 1.366(11) . ?
C47 H47 0.9300 . ?
C48 C49 1.382(11) . ?
C48 H48 0.9300 . ?
C49 C50 1.370(11) . ?
C49 H49 0.9300 . ?
C50 H50 0.9300 . ?
C51 C52 1.371(10) . ?
C51 C56 1.372(9) . ?
C52 C53 1.386(12) . ?
C52 H52 0.9300 . ?
C53 C54 1.368(11) . ?
C53 H53 0.9300 . ?
C54 C55 1.353(10) . ?
C54 H54 0.9300 . ?
C55 C56 1.385(9) . ?
C55 H55 0.9300 . ?
C56 H56 0.9300 . ?
C57 C62 1.377(11) . ?
C57 C58 1.387(10) . ?
C58 C59 1.375(10) . ?
C58 H58 0.9300 . ?
C59 C60 1.372(11) . ?
C59 H59 0.9300 . ?
C60 C61 1.378(11) . ?
C60 H60 0.9300 . ?
C61 C62 1.394(10) . ?
C61 H61 0.9300 . ?
C62 H62 0.9300 . ?
C63 C64 1.374(9) . ?
C63 C68 1.385(9) . ?
C64 C65 1.387(9) . ?
C64 H64 0.9300 . ?
C65 C66 1.371(11) . ?
C65 H65 0.9300 . ?
C66 C67 1.352(11) . ?
C66 H66 0.9300 . ?
C67 C68 1.380(11) . ?
C67 H67 0.9300 . ?
C68 H68 0.9300 . ?
C69 C70 1.367(10) . ?
C69 C74 1.400(10) . ?
C70 C71 1.389(10) . ?
C70 H70 0.9300 . ?
C71 C72 1.371(12) . ?
C71 H71 0.9300 . ?
C72 C73 1.386(11) . ?
C72 H72 0.9300 . ?
C73 C74 1.377(10) . ?
C73 H73 0.9300 . ?
C74 H74 0.9300 . ?
C75 C76 1.372(12) . ?
C75 C80 1.395(9) . ?
C75 H75 0.9300 . ?
C76 C77 1.379(12) . ?
C76 H76 0.9300 . ?
C77 C78 1.355(13) . ?
C77 H77 0.9300 . ?
C78 C79 1.404(13) . ?
C78 H78 0.9300 . ?
C79 C80 1.399(9) . ?
C79 H79 0.9300 . ?
C81 C86 1.379(9) . ?
C81 C82 1.383(9) . ?
C82 C83 1.377(9) . ?
C82 H82 0.9300 . ?
C83 C84 1.377(9) . ?
C83 H83 0.9300 . ?
C84 C85 1.391(10) . ?
C84 H84 0.9300 . ?
C85 C86 1.381(10) . ?
C85 H85 0.9300 . ?
C86 H86 0.9300 . ?
C87 C92 1.381(10) . ?
C87 C88 1.395(10) . ?
C88 C89 1.386(11) . ?
C88 H88 0.9300 . ?
C89 C90 1.374(11) . ?
C89 H89 0.9300 . ?
C90 C91 1.372(11) . ?
C90 H90 0.9300 . ?
C91 C92 1.383(10) . ?
C91 H91 0.9300 . ?
C92 H92 0.9300 . ?
C93 C98 1.390(9) . ?
C93 C94 1.391(10) . ?
C94 C95 1.392(13) . ?
C94 H94 0.9300 . ?
C95 C96 1.385(11) . ?
C95 H95 0.9300 . ?
C96 C97 1.373(11) . ?
C96 H96 0.9300 . ?
C97 C98 1.394(10) . ?
C97 H97 0.9300 . ?
C98 H98 0.9300 . ?
C99 C104 1.383(9) . ?
C99 C100 1.392(9) . ?
C100 C101 1.392(10) . ?
C100 H100 0.9300 . ?
C101 C102 1.376(10) . ?
C101 H101 0.9300 . ?
C102 C103 1.368(10) . ?
C102 H102 0.9300 . ?
C103 C104 1.385(9) . ?
C103 H103 0.9300 . ?
C104 H104 0.9300 . ?
C105 C106 1.374(11) . ?
C105 C110 1.402(11) . ?
C106 C107 1.397(10) . ?
C106 H106 0.9300 . ?
C107 C108 1.359(11) . ?
C107 H107 0.9300 . ?
C108 C109 1.385(12) . ?
C108 H108 0.9300 . ?
C109 C110 1.377(11) . ?
C109 H109 0.9300 . ?
C110 H110 0.9300 . ?
C111 C112 1.385(10) . ?
C111 C116 1.386(9) . ?
C112 C113 1.370(10) . ?
C112 H112 0.9300 . ?
C113 C114 1.384(11) . ?
C113 H113 0.9300 . ?
C114 C115 1.358(11) . ?
C114 H114 0.9300 . ?
C115 C116 1.389(10) . ?
C115 H115 0.9300 . ?
C116 H116 0.9300 . ?

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
C3 Au1 P1 173.91(18) . . ?
C3 Au1 Ag1 45.32(17) . . ?
P1 Au1 Ag1 136.46(4) . . ?
C105 P1 C99 105.9(3) . . ?
C105 P1 C111 107.3(3) . . ?
C99 P1 C111 105.4(3) . . ?
C105 P1 Au1 113.8(2) . . ?
C99 P1 Au1 113.2(2) . . ?
C111 P1 Au1 110.7(2) . . ?
C3 Ag1 P2 119.18(16) . . ?
C3 Ag1 P3 119.20(16) . . ?
P2 Ag1 P3 120.35(6) . . ?
C3 Ag1 C2 28.7(2) . . ?
P2 Ag1 C2 123.80(16) . . ?
P3 Ag1 C2 113.01(16) . . ?
C3 Ag1 Au1 36.33(17) . . ?
P2 Ag1 Au1 98.96(4) . . ?
P3 Ag1 Au1 121.48(4) . . ?
C2 Ag1 Au1 64.80(15) . . ?
B2 C1 B4 114.7(6) . . ?
B2 C1 B3 62.5(5) . . ?
B4 C1 B3 63.2(5) . . ?
B2 C1 B6 63.6(5) . . ?
B4 C1 B6 114.6(5) . . ?
B3 C1 B6 115.7(6) . . ?
B2 C1 B5 114.8(6) . . ?
B4 C1 B5 62.7(5) . . ?
B3 C1 B5 115.3(5) . . ?
B6 C1 B5 62.2(5) . . ?
B2 C1 H1 117.6 . . ?
B4 C1 H1 117.8 . . ?
B3 C1 H1 117.1 . . ?
B6 C1 H1 117.3 . . ?
B5 C1 H1 117.9 . . ?
C6 Au2 P4 174.21(18) . . ?
C6 Au2 Ag2 44.64(17) . . ?
P4 Au2 Ag2 135.56(4) . . ?
C80 P2 C63 105.4(3) . . ?
C80 P2 C69 103.7(3) . . ?
C63 P2 C69 104.3(3) . . ?
C80 P2 Ag1 117.3(2) . . ?
C63 P2 Ag1 116.6(2) . . ?
C69 P2 Ag1 108.1(2) . . ?
C6 Ag2 P6 120.48(16) . . ?
C6 Ag2 P5 115.46(15) . . ?
P6 Ag2 P5 122.04(6) . . ?
C6 Ag2 C5 28.6(2) . . ?
P6 Ag2 C5 126.35(15) . . ?
P5 Ag2 C5 109.82(16) . . ?
C6 Ag2 Au2 35.75(16) . . ?
P6 Ag2 Au2 99.03(4) . . ?
P5 Ag2 Au2 118.76(4) . . ?
C5 Ag2 Au2 64.13(16) . . ?
C1 B2 B8 105.5(6) . . ?
C1 B2 B3 58.9(5) . . ?
B8 B2 B3 60.9(5) . . ?
C1 B2 B7 105.0(6) . . ?
B8 B2 B7 60.7(5) . . ?
B3 B2 B7 109.4(6) . . ?
C1 B2 B6 58.8(5) . . ?
B8 B2 B6 108.7(6) . . ?
B3 B2 B6 108.7(6) . . ?
B7 B2 B6 59.9(5) . . ?
C1 B2 H2 124.7 . . ?
B8 B2 H2 121.6 . . ?
B3 B2 H2 120.7 . . ?
B7 B2 H2 121.9 . . ?
B6 B2 H2 121.4 . . ?
C3 C2 B12 177.3(7) . . ?
C3 C2 Ag1 69.3(4) . . ?
B12 C2 Ag1 112.2(4) . . ?
C1 B3 B2 58.6(5) . . ?
C1 B3 B4 58.3(4) . . ?
B2 B3 B4 107.5(6) . . ?
C1 B3 B8 104.3(6) . . ?
B2 B3 B8 59.5(5) . . ?
B4 B3 B8 107.9(5) . . ?
C1 B3 B9 104.5(5) . . ?
B2 B3 B9 107.7(6) . . ?
B4 B3 B9 60.1(5) . . ?
B8 B3 B9 60.2(4) . . ?
C1 B3 H3A 125.0 . . ?
B2 B3 H3A 121.9 . . ?
B4 B3 H3A 121.6 . . ?
B8 B3 H3A 122.5 . . ?
B9 B3 H3A 122.3 . . ?
C87 P3 C93 103.3(3) . . ?
C87 P3 C81 104.7(3) . . ?
C93 P3 C81 105.4(3) . . ?
C87 P3 Ag1 116.8(2) . . ?
C93 P3 Ag1 118.4(2) . . ?
C81 P3 Ag1 106.9(2) . . ?
C2 C3 Au1 170.7(6) . . ?
C2 C3 Ag1 82.0(4) . . ?
Au1 C3 Ag1 98.4(3) . . ?
B26 C4 B22 64.1(5) . . ?
B26 C4 B23 116.6(6) . . ?
B22 C4 B23 63.0(5) . . ?
B26 C4 B25 63.5(5) . . ?
B22 C4 B25 116.8(6) . . ?
B23 C4 B25 115.9(6) . . ?
B26 C4 B24 116.0(7) . . ?
B22 C4 B24 116.0(6) . . ?
B23 C4 B24 63.3(6) . . ?
B25 C4 B24 62.7(6) . . ?
B26 C4 H4A 116.3 . . ?
B22 C4 H4A 116.4 . . ?
B23 C4 H4A 116.9 . . ?
B25 C4 H4A 116.9 . . ?
B24 C4 H4A 117.3 . . ?
C57 P4 C45 108.5(3) . . ?
C57 P4 C51 106.3(3) . . ?
C45 P4 C51 102.4(3) . . ?
C57 P4 Au2 115.0(2) . . ?
C45 P4 Au2 109.2(2) . . ?
C51 P4 Au2 114.5(2) . . ?
C1 B4 B5 59.4(5) . . ?
C1 B4 B3 58.5(4) . . ?
B5 B4 B3 108.7(6) . . ?
C1 B4 B10 105.4(6) . . ?
B5 B4 B10 60.1(5) . . ?
B3 B4 B10 108.7(6) . . ?
C1 B4 B9 104.6(6) . . ?
B5 B4 B9 108.3(6) . . ?
B3 B4 B9 60.1(5) . . ?
B10 B4 B9 60.3(4) . . ?
C1 B4 H4 124.6 . . ?
B5 B4 H4 121.0 . . ?
B3 B4 H4 121.2 . . ?
B10 B4 H4 121.9 . . ?
B9 B4 H4 122.4 . . ?
C1 B5 B11 104.9(6) . . ?
C1 B5 B6 58.7(5) . . ?
B11 B5 B6 60.3(5) . . ?
C1 B5 B4 57.9(4) . . ?
B11 B5 B4 108.7(6) . . ?
B6 B5 B4 107.8(6) . . ?
C1 B5 B10 104.2(6) . . ?
B11 B5 B10 60.8(5) . . ?
B6 B5 B10 108.6(6) . . ?
B4 B5 B10 60.0(5) . . ?
C1 B5 H5 125.3 . . ?
B11 B5 H5 121.7 . . ?
B6 B5 H5 121.3 . . ?
B4 B5 H5 121.6 . . ?
B10 B5 H5 122.1 . . ?
C19 P5 C7 104.8(3) . . ?
C19 P5 C13 102.4(3) . . ?
C7 P5 C13 104.4(3) . . ?
C19 P5 Ag2 103.5(2) . . ?
C7 P5 Ag2 120.3(2) . . ?
C13 P5 Ag2 119.1(2) . . ?
C6 C5 B32 177.3(6) . . ?
C6 C5 Ag2 71.3(4) . . ?
B32 C5 Ag2 106.2(4) . . ?
C5 C6 Au2 170.7(6) . . ?
C5 C6 Ag2 80.1(4) . . ?
Au2 C6 Ag2 99.6(3) . . ?
C39 P6 C26 104.8(3) . . ?
C39 P6 C32 104.4(3) . . ?
C26 P6 C32 104.9(3) . . ?
C39 P6 Ag2 119.4(2) . . ?
C26 P6 Ag2 106.1(2) . . ?
C32 P6 Ag2 115.8(2) . . ?
C1 B6 B5 59.1(5) . . ?
C1 B6 B11 104.6(6) . . ?
B5 B6 B11 59.6(5) . . ?
C1 B6 B7 103.6(6) . . ?
B5 B6 B7 108.2(6) . . ?
B11 B6 B7 61.2(5) . . ?
C1 B6 B2 57.6(5) . . ?
B5 B6 B2 107.3(6) . . ?
B11 B6 B2 108.0(6) . . ?
B7 B6 B2 59.2(5) . . ?
C1 B6 H6A 125.3 . . ?
B5 B6 H6A 121.5 . . ?
B11 B6 H6A 121.9 . . ?
B7 B6 H6A 122.4 . . ?
B2 B6 H6A 122.3 . . ?
C8 C7 C12 118.9(7) . . ?
C8 C7 P5 118.9(5) . . ?
C12 C7 P5 122.2(5) . . ?
B2 B7 B8 59.4(5) . . ?
B2 B7 B6 60.9(5) . . ?
B8 B7 B6 108.5(6) . . ?
B2 B7 B12 107.6(6) . . ?
B8 B7 B12 60.5(4) . . ?
B6 B7 B12 107.5(6) . . ?
B2 B7 B11 107.9(6) . . ?
B8 B7 B11 108.3(6) . . ?
B6 B7 B11 59.4(5) . . ?
B12 B7 B11 59.8(4) . . ?
B2 B7 H7 121.8 . . ?
B8 B7 H7 121.4 . . ?
B6 B7 H7 121.6 . . ?
B12 B7 H7 122.0 . . ?
B11 B7 H7 121.9 . . ?
C7 C8 C9 120.1(7) . . ?
C7 C8 H8 119.9 . . ?
C9 C8 H8 119.9 . . ?
B2 B8 B7 60.0(5) . . ?
B2 B8 B3 59.7(5) . . ?
B7 B8 B3 107.9(6) . . ?
B2 B8 B9 107.6(6) . . ?
B7 B8 B9 108.1(6) . . ?
B3 B8 B9 60.0(5) . . ?
B2 B8 B12 107.8(6) . . ?
B7 B8 B12 60.2(5) . . ?
B3 B8 B12 107.8(6) . . ?
B9 B8 B12 59.8(4) . . ?
B2 B8 H8A 122.0 . . ?
B7 B8 H8A 121.6 . . ?
B3 B8 H8A 121.9 . . ?
B9 B8 H8A 121.8 . . ?
B12 B8 H8A 121.8 . . ?
C10 C9 C8 119.8(8) . . ?
C10 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
B4 B9 B3 59.8(4) . . ?
B4 B9 B8 107.4(6) . . ?
B3 B9 B8 59.8(5) . . ?
B4 B9 B10 59.8(4) . . ?
B3 B9 B10 108.1(6) . . ?
B8 B9 B10 108.2(6) . . ?
B4 B9 B12 107.3(6) . . ?
B3 B9 B12 108.2(6) . . ?
B8 B9 B12 60.5(4) . . ?
B10 B9 B12 59.7(4) . . ?
B4 B9 H9A 122.3 . . ?
B3 B9 H9A 121.6 . . ?
B8 B9 H9A 121.6 . . ?
B10 B9 H9A 121.7 . . ?
B12 B9 H9A 121.7 . . ?
C11 C10 C9 120.4(8) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
B4 B10 B5 59.9(5) . . ?
B4 B10 B12 107.7(5) . . ?
B5 B10 B12 107.5(6) . . ?
B4 B10 B9 59.9(4) . . ?
B5 B10 B9 107.9(5) . . ?
B12 B10 B9 60.1(4) . . ?
B4 B10 B11 107.3(6) . . ?
B5 B10 B11 59.2(5) . . ?
B12 B10 B11 60.3(4) . . ?
B9 B10 B11 108.3(6) . . ?
B4 B10 H10A 122.1 . . ?
B5 B10 H10A 122.2 . . ?
B12 B10 H10A 121.7 . . ?
B9 B10 H10A 121.5 . . ?
B11 B10 H10A 122.0 . . ?
C10 C11 C12 120.2(8) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
B5 B11 B6 60.1(5) . . ?
B5 B11 B10 60.1(5) . . ?
B6 B11 B10 107.9(6) . . ?
B5 B11 B12 107.6(6) . . ?
B6 B11 B12 107.6(6) . . ?
B10 B11 B12 59.5(4) . . ?
B5 B11 B7 107.3(6) . . ?
B6 B11 B7 59.4(5) . . ?
B10 B11 B7 107.1(6) . . ?
B12 B11 B7 59.8(4) . . ?
B5 B11 H11A 121.8 . . ?
B6 B11 H11A 121.8 . . ?
B10 B11 H11A 122.0 . . ?
B12 B11 H11A 122.0 . . ?
B7 B11 H11A 122.4 . . ?
C14 C13 C18 119.0(7) . . ?
C14 C13 P5 117.2(5) . . ?
C18 C13 P5 123.5(5) . . ?
C11 C12 C7 120.6(8) . . ?
C11 C12 H12 119.7 . . ?
C7 C12 H12 119.7 . . ?
C2 B12 B10 122.0(6) . . ?
C2 B12 B9 122.4(6) . . ?
B10 B12 B9 60.1(4) . . ?
C2 B12 B11 121.3(6) . . ?
B10 B12 B11 60.1(5) . . ?
B9 B12 B11 108.1(5) . . ?
C2 B12 B7 121.5(6) . . ?
B10 B12 B7 108.2(5) . . ?
B9 B12 B7 107.2(5) . . ?
B11 B12 B7 60.5(5) . . ?
C2 B12 B8 121.9(6) . . ?
B10 B12 B8 107.9(5) . . ?
B9 B12 B8 59.7(4) . . ?
B11 B12 B8 107.9(6) . . ?
B7 B12 B8 59.2(5) . . ?
C13 C14 C15 120.2(7) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 H14 119.9 . . ?
C16 C15 C14 120.5(7) . . ?
C16 C15 H15 119.7 . . ?
C14 C15 H15 119.7 . . ?
C15 C16 C17 119.5(7) . . ?
C15 C16 H16 120.3 . . ?
C17 C16 H16 120.3 . . ?
C16 C17 C18 120.2(8) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C13 C18 C17 120.5(8) . . ?
C13 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
C20 C19 C25 117.5(6) . . ?
C20 C19 P5 123.6(6) . . ?
C25 C19 P5 118.5(5) . . ?
C22 C21 C20 120.3(7) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C19 C20 C21 120.5(7) . . ?
C19 C20 H20 119.7 . . ?
C21 C20 H20 119.7 . . ?
C23 C22 C21 119.5(7) . . ?
C23 C22 H22 120.2 . . ?
C21 C22 H22 120.2 . . ?
C4 B22 B27 103.5(6) . . ?
C4 B22 B23 58.6(5) . . ?
B27 B22 B23 107.8(6) . . ?
C4 B22 B28 104.0(6) . . ?
B27 B22 B28 60.2(5) . . ?
B23 B22 B28 59.8(5) . . ?
C4 B22 B26 57.9(5) . . ?
B27 B22 B26 60.1(5) . . ?
B23 B22 B26 107.8(6) . . ?
B28 B22 B26 108.3(6) . . ?
C4 B22 H22A 125.7 . . ?
B27 B22 H22A 122.6 . . ?
B23 B22 H22A 121.5 . . ?
B28 B22 H22A 122.3 . . ?
B26 B22 H22A 121.5 . . ?
C22 C23 C25 120.6(7) . . ?
C22 C23 H23 119.7 . . ?
C25 C23 H23 119.7 . . ?
C4 B23 B22 58.4(5) . . ?
C4 B23 B28 104.5(6) . . ?
B22 B23 B28 60.7(5) . . ?
C4 B23 B24 58.6(5) . . ?
B22 B23 B24 108.3(7) . . ?
B28 B23 B24 108.2(6) . . ?
C4 B23 B29 104.8(6) . . ?
B22 B23 B29 109.4(6) . . ?
B28 B23 B29 60.6(5) . . ?
B24 B23 B29 59.9(5) . . ?
C4 B23 H23A 125.2 . . ?
B22 B23 H23A 120.8 . . ?
B28 B23 H23A 122.1 . . ?
B24 B23 H23A 121.5 . . ?
B29 B23 H23A 121.7 . . ?
C27 C26 C31 119.1(6) . . ?
C27 C26 P6 120.2(5) . . ?
C31 C26 P6 120.1(5) . . ?
C4 B26 B25 58.5(5) . . ?
C4 B26 B27 103.0(6) . . ?
B25 B26 B27 107.8(6) . . ?
C4 B26 B31 103.1(7) . . ?
B25 B26 B31 59.1(5) . . ?
B27 B26 B31 60.9(5) . . ?
C4 B26 B22 58.0(5) . . ?
B25 B26 B22 107.7(7) . . ?
B27 B26 B22 59.2(5) . . ?
B31 B26 B22 107.8(6) . . ?
C4 B26 H26 126.1 . . ?
B25 B26 H26 121.6 . . ?
B27 B26 H26 122.6 . . ?
B31 B26 H26 122.7 . . ?
B22 B26 H26 121.8 . . ?
C23 C25 C19 121.5(7) . . ?
C23 C25 H25 119.2 . . ?
C19 C25 H25 119.2 . . ?
C4 B25 B31 103.9(6) . . ?
C4 B25 B24 58.8(5) . . ?
B31 B25 B24 107.7(6) . . ?
C4 B25 B26 58.1(5) . . ?
B31 B25 B26 60.6(5) . . ?
B24 B25 B26 108.3(6) . . ?
C4 B25 B30 104.0(6) . . ?
B31 B25 B30 60.5(5) . . ?
B24 B25 B30 59.3(5) . . ?
B26 B25 B30 109.0(6) . . ?
C4 B25 H25A 125.6 . . ?
B31 B25 H25A 122.3 . . ?
B24 B25 H25A 121.6 . . ?
B26 B25 H25A 120.9 . . ?
B30 B25 H25A 122.3 . . ?
C4 B24 B30 105.1(7) . . ?
C4 B24 B25 58.4(5) . . ?
B30 B24 B25 61.1(5) . . ?
C4 B24 B23 58.1(5) . . ?
B30 B24 B23 108.7(6) . . ?
B25 B24 B23 108.0(7) . . ?
C4 B24 B29 104.6(6) . . ?
B30 B24 B29 60.7(5) . . ?
B25 B24 B29 109.5(6) . . ?
B23 B24 B29 60.2(5) . . ?
C4 B24 H24 125.3 . . ?
B30 B24 H24 121.5 . . ?
B25 B24 H24 120.8 . . ?
B23 B24 H24 121.6 . . ?
B29 B24 H24 121.8 . . ?
C28 C29 C30 119.8(7) . . ?
C28 C29 H29 120.1 . . ?
C30 C29 H29 120.1 . . ?
B24 B29 B23 59.9(5) . . ?
B24 B29 B32 106.8(6) . . ?
B23 B29 B32 106.4(6) . . ?
B24 B29 B30 59.1(5) . . ?
B23 B29 B30 107.3(7) . . ?
B32 B29 B30 60.5(4) . . ?
B24 B29 B28 107.2(7) . . ?
B23 B29 B28 59.4(5) . . ?
B32 B29 B28 59.2(4) . . ?
B30 B29 B28 107.9(6) . . ?
B24 B29 H29A 122.4 . . ?
B23 B29 H29A 122.5 . . ?
B32 B29 H29A 122.5 . . ?
B30 B29 H29A 121.7 . . ?
B28 B29 H29A 122.1 . . ?
C29 C28 C27 120.3(7) . . ?
C29 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
B32 B28 B23 107.6(5) . . ?
B32 B28 B27 60.6(4) . . ?
B23 B28 B27 106.7(6) . . ?
B32 B28 B22 107.9(5) . . ?
B23 B28 B22 59.5(5) . . ?
B27 B28 B22 59.2(5) . . ?
B32 B28 B29 60.2(5) . . ?
B23 B28 B29 60.0(5) . . ?
B27 B28 B29 108.4(6) . . ?
B22 B28 B29 108.0(6) . . ?
B32 B28 H28A 121.5 . . ?
B23 B28 H28A 122.4 . . ?
B27 B28 H28A 122.0 . . ?
B22 B28 H28A 122.1 . . ?
B29 B28 H28A 121.3 . . ?
C26 C27 C28 120.0(6) . . ?
C26 C27 H27 120.0 . . ?
C28 C27 H27 120.0 . . ?
B22 B27 B26 60.7(5) . . ?
B22 B27 B28 60.5(5) . . ?
B26 B27 B28 109.0(6) . . ?
B22 B27 B32 108.0(6) . . ?
B26 B27 B32 108.3(6) . . ?
B28 B27 B32 59.3(4) . . ?
B22 B27 B31 107.9(6) . . ?
B26 B27 B31 59.7(4) . . ?
B28 B27 B31 107.6(6) . . ?
B32 B27 B31 60.2(4) . . ?
B22 B27 H27A 121.4 . . ?
B26 B27 H27A 121.1 . . ?
B28 B27 H27A 121.6 . . ?
B32 B27 H27A 121.9 . . ?
B31 B27 H27A 122.1 . . ?
C31 C30 C29 119.8(7) . . ?
C31 C30 H30 120.1 . . ?
C29 C30 H30 120.1 . . ?
B24 B30 B31 106.6(6) . . ?
B24 B30 B29 60.2(5) . . ?
B31 B30 B29 108.0(6) . . ?
B24 B30 B25 59.6(5) . . ?
B31 B30 B25 58.7(5) . . ?
B29 B30 B25 107.9(6) . . ?
B24 B30 B32 107.0(6) . . ?
B31 B30 B32 60.3(4) . . ?
B29 B30 B32 59.7(4) . . ?
B25 B30 B32 106.8(6) . . ?
B24 B30 H30A 122.4 . . ?
B31 B30 H30A 122.3 . . ?
B29 B30 H30A 121.4 . . ?
B25 B30 H30A 122.5 . . ?
B32 B30 H30A 122.3 . . ?
C30 C31 C26 121.0(7) . . ?
C30 C31 H31 119.5 . . ?
C26 C31 H31 119.5 . . ?
B25 B31 B26 60.3(5) . . ?
B25 B31 B30 60.8(5) . . ?
B26 B31 B30 109.0(6) . . ?
B25 B31 B32 108.4(6) . . ?
B26 B31 B32 107.7(6) . . ?
B30 B31 B32 60.2(4) . . ?
B25 B31 B27 107.7(6) . . ?
B26 B31 B27 59.5(4) . . ?
B30 B31 B27 108.0(6) . . ?
B32 B31 B27 59.5(4) . . ?
B25 B31 H31A 121.4 . . ?
B26 B31 H31A 121.6 . . ?
B30 B31 H31A 121.0 . . ?
B32 B31 H31A 121.9 . . ?
B27 B31 H31A 122.3 . . ?
C32 C33 C34 121.2(7) . . ?
C32 C33 H33 119.4 . . ?
C34 C33 H33 119.4 . . ?
C33 C32 C38 118.2(6) . . ?
C33 C32 P6 119.7(5) . . ?
C38 C32 P6 122.0(5) . . ?
C5 B32 B28 124.6(6) . . ?
C5 B32 B29 124.3(6) . . ?
B28 B32 B29 60.6(5) . . ?
C5 B32 B27 120.9(6) . . ?
B28 B32 B27 60.1(5) . . ?
B29 B32 B27 108.4(6) . . ?
C5 B32 B30 120.0(6) . . ?
B28 B32 B30 108.5(5) . . ?
B29 B32 B30 59.8(5) . . ?
B27 B32 B30 108.0(5) . . ?
C5 B32 B31 118.2(6) . . ?
B28 B32 B31 108.3(6) . . ?
B29 B32 B31 107.5(6) . . ?
B27 B32 B31 60.3(4) . . ?
B30 B32 B31 59.5(4) . . ?
C36 C34 C33 119.3(7) . . ?
C36 C34 H34 120.4 . . ?
C33 C34 H34 120.4 . . ?
C37 C36 C34 120.3(7) . . ?
C37 C36 H36 119.9 . . ?
C34 C36 H36 119.9 . . ?
C36 C37 C38 120.3(7) . . ?
C36 C37 H37 119.9 . . ?
C38 C37 H37 119.8 . . ?
C37 C38 C32 120.7(7) . . ?
C37 C38 H38 119.7 . . ?
C32 C38 H38 119.7 . . ?
C40 C39 C44 117.7(7) . . ?
C40 C39 P6 119.1(5) . . ?
C44 C39 P6 123.2(5) . . ?
C41 C40 C39 121.9(7) . . ?
C41 C40 H40 119.0 . . ?
C39 C40 H40 119.0 . . ?
C40 C41 C42 119.9(8) . . ?
C40 C41 H41 120.1 . . ?
C42 C41 H41 120.1 . . ?
C41 C42 C43 119.4(8) . . ?
C41 C42 H42 120.3 . . ?
C43 C42 H42 120.3 . . ?
C44 C43 C42 119.3(9) . . ?
C44 C43 H43 120.3 . . ?
C42 C43 H43 120.3 . . ?
C43 C44 C39 121.8(8) . . ?
C43 C44 H44 119.1 . . ?
C39 C44 H44 119.1 . . ?
C47 C46 C45 120.7(7) . . ?
C47 C46 H46 119.6 . . ?
C45 C46 H46 119.6 . . ?
C50 C45 C46 117.8(7) . . ?
C50 C45 P4 122.7(5) . . ?
C46 C45 P4 119.2(6) . . ?
C48 C47 C46 120.1(7) . . ?
C48 C47 H47 119.9 . . ?
C46 C47 H47 119.9 . . ?
C47 C48 C49 120.0(7) . . ?
C47 C48 H48 120.0 . . ?
C49 C48 H48 120.0 . . ?
C50 C49 C48 119.9(7) . . ?
C50 C49 H49 120.1 . . ?
C48 C49 H49 120.1 . . ?
C49 C50 C45 121.5(7) . . ?
C49 C50 H50 119.2 . . ?
C45 C50 H50 119.2 . . ?
C52 C51 C56 119.2(6) . . ?
C52 C51 P4 117.9(5) . . ?
C56 C51 P4 122.9(5) . . ?
C51 C52 C53 120.4(8) . . ?
C51 C52 H52 119.8 . . ?
C53 C52 H52 119.8 . . ?
C54 C53 C52 119.9(8) . . ?
C54 C53 H53 120.0 . . ?
C52 C53 H53 120.0 . . ?
C55 C54 C53 119.7(7) . . ?
C55 C54 H54 120.1 . . ?
C53 C54 H54 120.1 . . ?
C54 C55 C56 120.9(7) . . ?
C54 C55 H55 119.5 . . ?
C56 C55 H55 119.5 . . ?
C51 C56 C55 119.8(6) . . ?
C51 C56 H56 120.1 . . ?
C55 C56 H56 120.1 . . ?
C62 C57 C58 118.7(7) . . ?
C62 C57 P4 118.1(6) . . ?
C58 C57 P4 123.2(6) . . ?
C59 C58 C57 121.2(7) . . ?
C59 C58 H58 119.4 . . ?
C57 C58 H58 119.4 . . ?
C60 C59 C58 119.8(7) . . ?
C60 C59 H59 120.1 . . ?
C58 C59 H59 120.1 . . ?
C59 C60 C61 120.1(7) . . ?
C59 C60 H60 120.0 . . ?
C61 C60 H60 120.0 . . ?
C60 C61 C62 120.0(8) . . ?
C60 C61 H61 120.0 . . ?
C62 C61 H61 120.0 . . ?
C57 C62 C61 120.2(9) . . ?
C57 C62 H62 119.9 . . ?
C61 C62 H62 119.9 . . ?
C64 C63 C68 118.6(7) . . ?
C64 C63 P2 119.1(5) . . ?
C68 C63 P2 122.3(6) . . ?
C63 C64 C65 120.4(7) . . ?
C63 C64 H64 119.8 . . ?
C65 C64 H64 119.8 . . ?
C66 C65 C64 120.3(7) . . ?
C66 C65 H65 119.8 . . ?
C64 C65 H65 119.8 . . ?
C67 C66 C65 119.4(7) . . ?
C67 C66 H66 120.3 . . ?
C65 C66 H66 120.3 . . ?
C66 C67 C68 121.1(8) . . ?
C66 C67 H67 119.5 . . ?
C68 C67 H67 119.5 . . ?
C67 C68 C63 120.2(8) . . ?
C67 C68 H68 119.9 . . ?
C63 C68 H68 119.9 . . ?
C70 C69 C74 119.6(6) . . ?
C70 C69 P2 120.6(5) . . ?
C74 C69 P2 119.1(5) . . ?
C69 C70 C71 120.2(7) . . ?
C69 C70 H70 119.9 . . ?
C71 C70 H70 119.9 . . ?
C72 C71 C70 120.4(7) . . ?
C72 C71 H71 119.8 . . ?
C70 C71 H71 119.8 . . ?
C71 C72 C73 119.8(6) . . ?
C71 C72 H72 120.1 . . ?
C73 C72 H72 120.1 . . ?
C74 C73 C72 120.0(7) . . ?
C74 C73 H73 120.0 . . ?
C72 C73 H73 120.0 . . ?
C73 C74 C69 119.9(6) . . ?
C73 C74 H74 120.1 . . ?
C69 C74 H74 120.1 . . ?
C76 C75 C80 120.3(7) . . ?
C76 C75 H75 119.8 . . ?
C80 C75 H75 119.8 . . ?
C75 C76 C77 120.4(8) . . ?
C75 C76 H76 119.8 . . ?
C77 C76 H76 119.8 . . ?
C78 C77 C76 121.3(8) . . ?
C78 C77 H77 119.4 . . ?
C76 C77 H77 119.4 . . ?
C77 C78 C79 119.0(8) . . ?
C77 C78 H78 120.5 . . ?
C79 C78 H78 120.5 . . ?
C80 C79 C78 120.6(7) . . ?
C80 C79 H79 119.7 . . ?
C78 C79 H79 119.7 . . ?
C75 C80 C79 118.4(7) . . ?
C75 C80 P2 122.8(5) . . ?
C79 C80 P2 118.8(5) . . ?
C86 C81 C82 119.7(6) . . ?
C86 C81 P3 123.2(5) . . ?
C82 C81 P3 117.0(5) . . ?
C83 C82 C81 120.7(6) . . ?
C83 C82 H82 119.7 . . ?
C81 C82 H82 119.7 . . ?
C82 C83 C84 120.3(7) . . ?
C82 C83 H83 119.8 . . ?
C84 C83 H83 119.8 . . ?
C83 C84 C85 118.8(6) . . ?
C83 C84 H84 120.6 . . ?
C85 C84 H84 120.6 . . ?
C86 C85 C84 121.0(6) . . ?
C86 C85 H85 119.5 . . ?
C84 C85 H85 119.5 . . ?
C81 C86 C85 119.5(7) . . ?
C81 C86 H86 120.3 . . ?
C85 C86 H86 120.3 . . ?
C92 C87 C88 118.2(7) . . ?
C92 C87 P3 118.2(5) . . ?
C88 C87 P3 123.5(5) . . ?
C89 C88 C87 120.2(7) . . ?
C89 C88 H88 119.9 . . ?
C87 C88 H88 119.9 . . ?
C90 C89 C88 120.7(8) . . ?
C90 C89 H89 119.6 . . ?
C88 C89 H89 119.6 . . ?
C91 C90 C89 119.2(7) . . ?
C91 C90 H90 120.4 . . ?
C89 C90 H90 120.4 . . ?
C90 C91 C92 120.6(8) . . ?
C90 C91 H91 119.7 . . ?
C92 C91 H91 119.7 . . ?
C87 C92 C91 120.9(8) . . ?
C87 C92 H92 119.5 . . ?
C91 C92 H92 119.5 . . ?
C98 C93 C94 120.3(6) . . ?
C98 C93 P3 122.1(5) . . ?
C94 C93 P3 117.5(5) . . ?
C93 C94 C95 119.2(7) . . ?
C93 C94 H94 120.4 . . ?
C95 C94 H94 120.4 . . ?
C96 C95 C94 120.3(8) . . ?
C96 C95 H95 119.9 . . ?
C94 C95 H95 119.9 . . ?
C97 C96 C95 120.5(7) . . ?
C97 C96 H96 119.7 . . ?
C95 C96 H96 119.7 . . ?
C96 C97 C98 119.9(7) . . ?
C96 C97 H97 120.0 . . ?
C98 C97 H97 120.0 . . ?
C93 C98 C97 119.7(7) . . ?
C93 C98 H98 120.1 . . ?
C97 C98 H98 120.1 . . ?
C104 C99 C100 119.3(6) . . ?
C104 C99 P1 121.6(5) . . ?
C100 C99 P1 119.0(5) . . ?
C101 C100 C99 119.5(7) . . ?
C101 C100 H100 120.2 . . ?
C99 C100 H100 120.2 . . ?
C102 C101 C100 120.1(7) . . ?
C102 C101 H101 119.9 . . ?
C100 C101 H101 119.9 . . ?
C103 C102 C101 120.7(7) . . ?
C103 C102 H102 119.7 . . ?
C101 C102 H102 119.7 . . ?
C102 C103 C104 119.7(7) . . ?
C102 C103 H103 120.2 . . ?
C104 C103 H103 120.2 . . ?
C99 C104 C103 120.7(6) . . ?
C99 C104 H104 119.7 . . ?
C103 C104 H104 119.7 . . ?
C106 C105 C110 118.7(7) . . ?
C106 C105 P1 118.8(6) . . ?
C110 C105 P1 122.5(6) . . ?
C105 C106 C107 120.7(9) . . ?
C105 C106 H106 119.6 . . ?
C107 C106 H106 119.6 . . ?
C108 C107 C106 119.7(8) . . ?
C108 C107 H107 120.2 . . ?
C106 C107 H107 120.2 . . ?
C107 C108 C109 120.7(7) . . ?
C107 C108 H108 119.7 . . ?
C109 C108 H108 119.7 . . ?
C110 C109 C108 119.7(8) . . ?
C110 C109 H109 120.1 . . ?
C108 C109 H109 120.1 . . ?
C109 C110 C105 120.4(7) . . ?
C109 C110 H110 119.8 . . ?
C105 C110 H110 119.8 . . ?
C112 C111 C116 119.5(6) . . ?
C112 C111 P1 121.6(5) . . ?
C116 C111 P1 118.9(5) . . ?
C113 C112 C111 120.2(7) . . ?
C113 C112 H112 119.9 . . ?
C111 C112 H112 119.9 . . ?
C112 C113 C114 120.0(7) . . ?
C112 C113 H113 120.0 . . ?
C114 C113 H113 120.0 . . ?
C115 C114 C113 120.4(7) . . ?
C115 C114 H114 119.8 . . ?
C113 C114 H114 119.8 . . ?
C114 C115 C116 120.2(7) . . ?
C114 C115 H115 119.9 . . ?
C116 C115 H115 119.9 . . ?
C111 C116 C115 119.7(7) . . ?
C111 C116 H116 120.1 . . ?
C115 C116 H116 120.1 . . ?

_refine_diff_density_max         1.225
_refine_diff_density_min         -0.962
_refine_diff_density_rms         0.096

####################################################################### 
# 
# 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_Ag2PPh32CCCB11MeCNBenzol
_database_code_depnum_ccdc_archive 'CCDC 1856200'
loop_
_audit_author_name
_audit_author_address
'Maik Finze'
;University of W?rzburg
Germany
;
_audit_update_record             
;
2018-07-16 deposited with the CCDC.	2019-07-10 downloaded from the CCDC.
;

#=================================================================
#DATA 1 Ag2PPh32CCCB11MeCNBenzol
#=================================================================

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C86 H91 Ag4 B22 N P4'
_chemical_formula_weight         1931.77

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'
B B 0.0013 0.0007 '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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   13.7720(5)
_cell_length_b                   14.7348(5)
_cell_length_c                   23.9233(9)
_cell_angle_alpha                83.4210(10)
_cell_angle_beta                 76.8810(10)
_cell_angle_gamma                67.2960(10)
_cell_volume                     4359.7(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9753
_cell_measurement_theta_min      2.269
_cell_measurement_theta_max      26.779
_exptl_special_details           
;
The crystal was immersed in a film of perfluoropolyether oil, mounted on a 
polyimide microloop (MicroMounts of MiTeGen) and transferred to stream of cold 
nitrogen (Oxford Cryostream 700).
;
_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.472
_exptl_crystal_F_000             1944
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_exptl_absorpt_coefficient_mu    1.004
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6752
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   'SadAbs 2014/4 (Bruker AXS)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_source                   'rotating-anode (Nonius FR-591)'
_diffrn_measurement_device_type  'Bruker X8-APEX II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            60774
_diffrn_reflns_av_unetI/netI     0.0300
_diffrn_reflns_av_R_equivalents  0.0266
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.499
_diffrn_reflns_theta_max         26.799
_diffrn_reflns_theta_full        26.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             18621
_reflns_number_gt                15905
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'APEX2 ver. 2014.9 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. V8.34A (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. V8.34A (Bruker AXS)'
_computing_structure_solution    'SHELXT (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'ShelXLe (Huebschle et all, 2011)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_refine_special_details          
;
Refinement of F² against ALL reflections. The weighted R-factor wR and 
goodness of fit S are based on F², conventional R-factors R are based on F, 
with F set to zero for negative F². The threshold expression of F² > 
2sigma(F²) is used only for calculating R-factors(gt) etc. and is not 
relevant to the choice of reflections for refinement. R-factors based on F² 
are statistically about twice as large as those based on F, and R-factors 
based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0355P)²+7.5034P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     iterative
_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         18621
_refine_ls_number_parameters     1055
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0408
_refine_ls_R_factor_gt           0.0319
_refine_ls_wR_factor_ref         0.0819
_refine_ls_wR_factor_gt          0.0781
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.003
_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
Ag01 Ag 0.89114(2) 0.09543(2) 0.50850(2) 0.01844(5) Uani 1 1 d . . . . .
C1 C 0.7508(2) -0.2529(2) 0.46511(13) 0.0210(6) Uani 1 1 d . . . . .
H1 H 0.7061 -0.3040 0.4729 0.025 Uiso 1 1 calc R U . . .
N1 N 1.2623(6) 0.3196(6) 0.1126(3) 0.138(3) Uani 1 1 d . . . . .
Ag02 Ag 1.09631(2) 0.08980(2) 0.38198(2) 0.01908(5) Uani 1 1 d . . . . .
B2 B 0.6786(3) -0.1316(2) 0.48073(15) 0.0212(7) Uani 1 1 d . . . . .
H2 H 0.5901 -0.0991 0.4982 0.025 Uiso 1 1 calc R U . . .
C2 C 0.9437(2) -0.03656(19) 0.43300(11) 0.0143(5) Uani 1 1 d . . . . .
Ag03 Ag -0.09796(2) 1.07434(2) 0.96367(2) 0.01970(5) Uani 1 1 d . . . . .
B3 B 0.7698(3) -0.2111(2) 0.52354(14) 0.0209(7) Uani 1 1 d . . . . .
H3 H 0.7410 -0.2309 0.5692 0.025 Uiso 1 1 calc R U . . .
C3 C 0.9993(2) 0.01351(19) 0.42426(11) 0.0150(5) Uani 1 1 d . . . . .
Ag04 Ag 0.09203(2) 0.82761(2) 0.90713(2) 0.02142(5) Uani 1 1 d . . . . .
B4 B 0.8784(3) -0.2979(2) 0.47804(14) 0.0182(6) Uani 1 1 d . . . . .
H4 H 0.9210 -0.3746 0.4938 0.022 Uiso 1 1 calc R U . . .
C4 C -0.3633(3) 0.9794(2) 1.19208(13) 0.0251(6) Uani 1 1 d . . . . .
H4A H -0.4285 0.9943 1.2315 0.030 Uiso 1 1 calc R U . . .
P005 P 1.19250(6) 0.16625(5) 0.31018(3) 0.01526(14) Uani 1 1 d . . . . .
B5 B 0.7309(3) -0.1708(2) 0.40862(14) 0.0211(7) Uani 1 1 d . . . . .
H5 H 0.6766 -0.1646 0.3787 0.025 Uiso 1 1 calc R U . . .
P006 P 0.73097(6) 0.22609(5) 0.55001(3) 0.01508(14) Uani 1 1 d . . . . .
B6 B 0.8540(3) -0.2724(2) 0.40693(14) 0.0199(6) Uani 1 1 d . . . . .
H6 H 0.8807 -0.3328 0.3758 0.024 Uiso 1 1 calc R U . . .
C6 C -0.0222(2) 0.9005(2) 0.97726(11) 0.0171(5) Uani 1 1 d . . . . .
P007 P 0.19288(6) 0.70562(5) 0.83743(3) 0.01837(15) Uani 1 1 d . . . . .
B7 B 0.8543(3) -0.1537(2) 0.38448(13) 0.0173(6) Uani 1 1 d . . . . .
H7 H 0.8818 -0.1346 0.3385 0.021 Uiso 1 1 calc R U . . .
P008 P -0.21581(6) 1.22009(5) 0.92223(3) 0.01906(15) Uani 1 1 d . . . . .
B8 B 0.9466(2) -0.2333(2) 0.42756(13) 0.0152(6) Uani 1 1 d . . . . .
H8 H 1.0350 -0.2667 0.4100 0.018 Uiso 1 1 calc R U . . .
B9 B 0.8942(3) -0.1949(2) 0.50017(13) 0.0158(6) Uani 1 1 d . . . . .
H9A H 0.9484 -0.2029 0.5305 0.019 Uiso 1 1 calc R U . . .
B10 B 0.7702(3) -0.0916(2) 0.50212(13) 0.0171(6) Uani 1 1 d . . . . .
H10A H 0.7429 -0.0318 0.5337 0.021 Uiso 1 1 calc R U . . .
C106 C -0.0892(2) 0.9181(2) 1.02216(12) 0.0169(5) Uani 1 1 d . . . . .
C105 C 0.0457(3) 0.6145(3) 0.8717(2) 0.0540(12) Uani 1 1 d . . . . .
H105 H -0.0059 0.6799 0.8742 0.065 Uiso 1 1 calc R U . . .
C104 C 0.0120(4) 0.5361(4) 0.8855(2) 0.0687(16) Uani 1 1 d . . . . .
H104 H -0.0623 0.5477 0.8978 0.082 Uiso 1 1 calc R U . . .
C103 C 0.0868(4) 0.4409(3) 0.88134(18) 0.0510(11) Uani 1 1 d . . . . .
H103 H 0.0638 0.3869 0.8896 0.061 Uiso 1 1 calc R U . . .
C102 C 0.1942(4) 0.4243(3) 0.86534(16) 0.0425(9) Uani 1 1 d . . . . .
H102 H 0.2456 0.3588 0.8635 0.051 Uiso 1 1 calc R U . . .
C101 C 0.2283(3) 0.5030(2) 0.85179(14) 0.0345(8) Uani 1 1 d . . . . .
H101 H 0.3029 0.4910 0.8407 0.041 Uiso 1 1 calc R U . . .
C100 C 0.1544(3) 0.5984(2) 0.85432(13) 0.0274(7) Uani 1 1 d . . . . .
B11 B 0.7458(2) -0.0665(2) 0.43036(13) 0.0175(6) Uani 1 1 d . . . . .
H11A H 0.7021 0.0099 0.4146 0.021 Uiso 1 1 calc R U . . .
B12 B 0.8792(2) -0.1055(2) 0.44245(13) 0.0143(6) Uani 1 1 d . . . . .
C13 C 0.3374(2) 0.6582(2) 0.83345(12) 0.0213(6) Uani 1 1 d . . . . .
B13 B -0.3901(3) 1.0540(3) 1.13301(15) 0.0237(7) Uani 1 1 d . . . . .
H13 H -0.4676 1.1168 1.1304 0.028 Uiso 1 1 calc R U . . .
C14 C 0.3750(3) 0.6630(3) 0.88152(15) 0.0356(8) Uani 1 1 d . . . . .
H14 H 0.3256 0.6887 0.9159 0.043 Uiso 1 1 calc R U . . .
B14 B -0.3003(3) 1.0603(2) 1.17380(14) 0.0214(7) Uani 1 1 d . . . . .
H14A H -0.3191 1.1277 1.1981 0.026 Uiso 1 1 calc R U . . .
C15 C 0.4843(3) 0.6306(3) 0.87964(19) 0.0527(11) Uani 1 1 d . . . . .
H15 H 0.5092 0.6345 0.9129 0.063 Uiso 1 1 calc R U . . .
B15 B -0.2338(3) 0.9401(3) 1.20177(14) 0.0249(7) Uani 1 1 d . . . . .
H15A H -0.2090 0.9284 1.2443 0.030 Uiso 1 1 calc R U . . .
C16 C 0.5571(3) 0.5929(3) 0.83056(18) 0.0482(10) Uani 1 1 d . . . . .
H16 H 0.6320 0.5713 0.8295 0.058 Uiso 1 1 calc R U . . .
B16 B -0.2834(3) 0.8591(3) 1.17815(15) 0.0275(8) Uani 1 1 d . . . . .
H16A H -0.2913 0.7942 1.2052 0.033 Uiso 1 1 calc R U . . .
C18 C 0.4104(3) 0.6204(3) 0.78380(14) 0.0363(8) Uani 1 1 d . . . . .
H18 H 0.3858 0.6173 0.7503 0.044 Uiso 1 1 calc R U . . .
B18 B -0.3143(3) 0.9774(3) 1.07403(14) 0.0207(7) Uani 1 1 d . . . . .
H18A H -0.3408 0.9895 1.0320 0.025 Uiso 1 1 calc R U . . .
C17 C 0.5202(3) 0.5869(3) 0.78286(17) 0.0491(10) Uani 1 1 d . . . . .
H17 H 0.5701 0.5595 0.7489 0.059 Uiso 1 1 calc R U . . .
B17 B -0.3795(3) 0.9300(3) 1.13581(15) 0.0261(7) Uani 1 1 d . . . . .
H17A H -0.4507 0.9112 1.1352 0.031 Uiso 1 1 calc R U . . .
C19 C 0.1755(2) 0.7393(2) 0.76380(12) 0.0187(6) Uani 1 1 d . . . . .
B19 B -0.2641(3) 1.0582(2) 1.09811(14) 0.0188(6) Uani 1 1 d . . . . .
H19 H -0.2572 1.1240 1.0717 0.023 Uiso 1 1 calc R U . . .
C20 C 0.1738(2) 0.8319(2) 0.74194(13) 0.0223(6) Uani 1 1 d . . . . .
H20 H 0.1764 0.8773 0.7662 0.027 Uiso 1 1 calc R U . . .
B20 B -0.1675(3) 0.9877(2) 1.14055(13) 0.0188(6) Uani 1 1 d . . . . .
H20A H -0.0972 1.0070 1.1422 0.023 Uiso 1 1 calc R U . . .
C21 C 0.1683(3) 0.8578(2) 0.68466(14) 0.0289(7) Uani 1 1 d . . . . .
H21 H 0.1693 0.9199 0.6694 0.035 Uiso 1 1 calc R U . . .
B21 B -0.1561(3) 0.8624(2) 1.14290(14) 0.0210(7) Uani 1 1 d . . . . .
H21A H -0.0790 0.7995 1.1459 0.025 Uiso 1 1 calc R U . . .
C22 C 0.1614(3) 0.7924(3) 0.64988(14) 0.0347(8) Uani 1 1 d . . . . .
H22 H 0.1595 0.8091 0.6105 0.042 Uiso 1 1 calc R U . . .
B22 B -0.2471(3) 0.8563(2) 1.10224(14) 0.0211(7) Uani 1 1 d . . . . .
H22A H -0.2294 0.7886 1.0786 0.025 Uiso 1 1 calc R U . . .
C23 C 0.1572(3) 0.7029(3) 0.67216(15) 0.0384(9) Uani 1 1 d . . . . .
H23 H 0.1487 0.6600 0.6485 0.046 Uiso 1 1 calc R U . . .
C24 C 0.1654(3) 0.6752(2) 0.72894(14) 0.0306(7) Uani 1 1 d . . . . .
H24 H 0.1642 0.6130 0.7439 0.037 Uiso 1 1 calc R U . . .
B24 B -0.1762(2) 0.9364(2) 1.07859(13) 0.0160(6) Uani 1 1 d . . . . .
C25 C -0.1707(3) 1.2413(2) 0.84617(13) 0.0257(6) Uani 1 1 d . . . . .
C26 C -0.2028(4) 1.3345(3) 0.82044(15) 0.0510(11) Uani 1 1 d . . . . .
H26 H -0.2456 1.3903 0.8432 0.061 Uiso 1 1 calc R U . . .
C27 C -0.1726(4) 1.3461(3) 0.76161(16) 0.0597(13) Uani 1 1 d . . . . .
H27 H -0.1957 1.4100 0.7440 0.072 Uiso 1 1 calc R U . . .
C28 C -0.1097(3) 1.2664(3) 0.72872(15) 0.0451(10) Uani 1 1 d . . . . .
H28 H -0.0891 1.2748 0.6884 0.054 Uiso 1 1 calc R U . . .
C29 C -0.0767(3) 1.1750(3) 0.75377(15) 0.0395(9) Uani 1 1 d . . . . .
H29 H -0.0326 1.1196 0.7309 0.047 Uiso 1 1 calc R U . . .
C30 C -0.1072(3) 1.1623(2) 0.81244(14) 0.0289(7) Uani 1 1 d . . . . .
H30 H -0.0838 1.0981 0.8296 0.035 Uiso 1 1 calc R U . . .
C31 C -0.3532(2) 1.2289(2) 0.92812(14) 0.0257(7) Uani 1 1 d . . . . .
C32 C -0.4073(3) 1.2081(3) 0.98097(19) 0.0486(11) Uani 1 1 d . . . . .
H32 H -0.3719 1.1884 1.0126 0.058 Uiso 1 1 calc R U . . .
C33 C -0.5129(3) 1.2156(3) 0.9882(2) 0.0582(13) Uani 1 1 d . . . . .
H33 H -0.5501 1.2019 1.0247 0.070 Uiso 1 1 calc R U . . .
C34 C -0.5635(3) 1.2432(3) 0.9421(2) 0.0538(12) Uani 1 1 d . . . . .
H34 H -0.6357 1.2482 0.9469 0.065 Uiso 1 1 calc R U . . .
C35 C -0.5112(3) 1.2631(4) 0.8904(2) 0.0606(14) Uani 1 1 d . . . . .
H35 H -0.5471 1.2823 0.8590 0.073 Uiso 1 1 calc R U . . .
C37 C -0.2320(2) 1.3321(2) 0.95525(11) 0.0183(6) Uani 1 1 d . . . . .
C36 C -0.4061(3) 1.2562(3) 0.88234(17) 0.0453(10) Uani 1 1 d . . . . .
H36 H -0.3701 1.2700 0.8455 0.054 Uiso 1 1 calc R U . . .
C038 C 1.2289(7) 0.2855(6) 0.0807(3) 0.115(3) Uani 1 1 d . . . . .
C38 C -0.1416(2) 1.3376(2) 0.96975(12) 0.0217(6) Uani 1 1 d . . . . .
H38 H -0.0749 1.2834 0.9631 0.026 Uiso 1 1 calc R U . . .
C039 C 1.1893(9) 0.2446(9) 0.0408(4) 0.178(5) Uani 1 1 d . . . . .
H03A H 1.1486 0.2981 0.0170 0.267 Uiso 1 1 calc R U . . .
H03B H 1.1428 0.2113 0.0628 0.267 Uiso 1 1 calc R U . . .
H03C H 1.2505 0.1973 0.0161 0.267 Uiso 1 1 calc R U . . .
C39 C -0.1493(3) 1.4221(2) 0.99383(13) 0.0280(7) Uani 1 1 d . . . . .
H39 H -0.0877 1.4257 1.0035 0.034 Uiso 1 1 calc R U . . .
C40 C -0.2460(3) 1.5009(2) 1.00382(13) 0.0302(7) Uani 1 1 d . . . . .
H40 H -0.2509 1.5582 1.0206 0.036 Uiso 1 1 calc R U . . .
C41 C -0.3354(3) 1.4965(2) 0.98949(14) 0.0316(7) Uani 1 1 d . . . . .
H41 H -0.4017 1.5510 0.9963 0.038 Uiso 1 1 calc R U . . .
C42 C -0.3290(3) 1.4126(2) 0.96512(13) 0.0261(6) Uani 1 1 d . . . . .
H42 H -0.3908 1.4101 0.9552 0.031 Uiso 1 1 calc R U . . .
C43 C 0.4238(4) 0.4918(4) 0.6535(3) 0.0711(14) Uani 1 1 d . . . . .
H43 H 0.4721 0.5255 0.6434 0.085 Uiso 1 1 calc R U . . .
C44 C 0.4213(4) 0.4409(4) 0.7007(3) 0.0678(14) Uani 1 1 d . . . . .
H44 H 0.4699 0.4348 0.7247 0.081 Uiso 1 1 calc R U . . .
C45 C 0.3466(5) 0.3938(4) 0.7172(3) 0.0855(18) Uani 1 1 d . . . . .
H45 H 0.3434 0.3589 0.7531 0.103 Uiso 1 1 calc R U . . .
C46 C 0.2771(4) 0.3980(4) 0.6813(3) 0.0724(15) Uani 1 1 d . . . . .
H46 H 0.2265 0.3667 0.6924 0.087 Uiso 1 1 calc R U . . .
C47 C 0.2844(4) 0.4478(4) 0.6304(3) 0.0721(15) Uani 1 1 d . . . . .
H47 H 0.2413 0.4486 0.6043 0.086 Uiso 1 1 calc R U . . .
C48 C 0.3537(5) 0.4976(5) 0.6159(3) 0.0890(18) Uani 1 1 d . . . . .
H48 H 0.3550 0.5357 0.5812 0.107 Uiso 1 1 calc R U . . .
C49 C 0.7504(2) 0.33857(19) 0.55898(12) 0.0156(5) Uani 1 1 d . . . . .
C50 C 0.7156(2) 0.3870(2) 0.61048(12) 0.0192(6) Uani 1 1 d . . . . .
H50 H 0.6766 0.3634 0.6428 0.023 Uiso 1 1 calc R U . . .
C51 C 0.7381(2) 0.4701(2) 0.61465(13) 0.0227(6) Uani 1 1 d . . . . .
H51 H 0.7152 0.5024 0.6501 0.027 Uiso 1 1 calc R U . . .
C52 C 0.7935(2) 0.5058(2) 0.56750(13) 0.0221(6) Uani 1 1 d . . . . .
H52 H 0.8084 0.5626 0.5706 0.027 Uiso 1 1 calc R U . . .
C53 C 0.8272(2) 0.4587(2) 0.51571(13) 0.0217(6) Uani 1 1 d . . . . .
H53 H 0.8642 0.4838 0.4831 0.026 Uiso 1 1 calc R U . . .
C54 C 0.8067(2) 0.3749(2) 0.51155(12) 0.0199(6) Uani 1 1 d . . . . .
H54 H 0.8312 0.3418 0.4762 0.024 Uiso 1 1 calc R U . . .
C55 C 0.6259(2) 0.26466(19) 0.50864(12) 0.0166(5) Uani 1 1 d . . . . .
C56 C 0.6240(3) 0.1975(2) 0.47424(15) 0.0315(7) Uani 1 1 d . . . . .
H56 H 0.6780 0.1333 0.4724 0.038 Uiso 1 1 calc R U . . .
C57 C 0.5452(3) 0.2212(3) 0.44206(15) 0.0345(8) Uani 1 1 d . . . . .
H57 H 0.5444 0.1729 0.4192 0.041 Uiso 1 1 calc R U . . .
C58 C 0.4687(3) 0.3140(2) 0.44313(15) 0.0311(7) Uani 1 1 d . . . . .
H58 H 0.4174 0.3320 0.4192 0.037 Uiso 1 1 calc R U . . .
C59 C 0.4666(3) 0.3812(3) 0.4794(2) 0.0505(12) Uani 1 1 d . . . . .
H59 H 0.4107 0.4445 0.4824 0.061 Uiso 1 1 calc R U . . .
C60 C 0.5461(3) 0.3570(2) 0.5115(2) 0.0473(11) Uani 1 1 d . . . . .
H60 H 0.5453 0.4044 0.5355 0.057 Uiso 1 1 calc R U . . .
C61 C 0.6712(2) 0.19370(19) 0.62152(12) 0.0192(6) Uani 1 1 d . . . . .
C62 C 0.5637(3) 0.2037(2) 0.63726(14) 0.0279(7) Uani 1 1 d . . . . .
H62 H 0.5180 0.2284 0.6102 0.034 Uiso 1 1 calc R U . . .
C63 C 0.5238(3) 0.1772(3) 0.69279(16) 0.0356(8) Uani 1 1 d . . . . .
H63 H 0.4510 0.1827 0.7033 0.043 Uiso 1 1 calc R U . . .
C64 C 0.5889(3) 0.1431(2) 0.73263(15) 0.0349(8) Uani 1 1 d . . . . .
H64 H 0.5602 0.1270 0.7707 0.042 Uiso 1 1 calc R U . . .
C65 C 0.6958(3) 0.1323(2) 0.71747(14) 0.0287(7) Uani 1 1 d . . . . .
H65 H 0.7406 0.1085 0.7450 0.034 Uiso 1 1 calc R U . . .
C66 C 0.7374(3) 0.1564(2) 0.66186(13) 0.0225(6) Uani 1 1 d . . . . .
H66 H 0.8112 0.1475 0.6511 0.027 Uiso 1 1 calc R U . . .
C67 C 1.1268(2) 0.2995(2) 0.30435(12) 0.0188(6) Uani 1 1 d . . . . .
C68 C 1.0809(2) 0.3520(2) 0.35429(12) 0.0208(6) Uani 1 1 d . . . . .
H68 H 1.0827 0.3181 0.3905 0.025 Uiso 1 1 calc R U . . .
C69 C 1.0324(3) 0.4537(2) 0.35185(13) 0.0269(7) Uani 1 1 d . . . . .
H69 H 1.0027 0.4892 0.3863 0.032 Uiso 1 1 calc R U . . .
C70 C 1.0270(4) 0.5031(3) 0.29989(16) 0.0478(11) Uani 1 1 d . . . . .
H70 H 0.9927 0.5727 0.2982 0.057 Uiso 1 1 calc R U . . .
C71 C 1.0716(5) 0.4514(3) 0.25003(17) 0.081(2) Uani 1 1 d . . . . .
H71 H 1.0680 0.4857 0.2140 0.097 Uiso 1 1 calc R U . . .
C72 C 1.1216(4) 0.3498(3) 0.25193(15) 0.0562(13) Uani 1 1 d . . . . .
H72 H 1.1523 0.3147 0.2173 0.067 Uiso 1 1 calc R U . . .
C73 C 1.2042(2) 0.12383(19) 0.23937(12) 0.0169(5) Uani 1 1 d . . . . .
C74 C 1.1129(2) 0.1173(2) 0.22691(14) 0.0240(6) Uani 1 1 d . . . . .
H74 H 1.0480 0.1353 0.2548 0.029 Uiso 1 1 calc R U . . .
C75 C 1.1163(3) 0.0851(2) 0.17438(15) 0.0308(7) Uani 1 1 d . . . . .
H75 H 1.0533 0.0823 0.1660 0.037 Uiso 1 1 calc R U . . .
C76 C 1.2106(3) 0.0568(3) 0.13395(16) 0.0393(9) Uani 1 1 d . . . . .
H76 H 1.2129 0.0342 0.0979 0.047 Uiso 1 1 calc R U . . .
C77 C 1.3018(3) 0.0615(3) 0.14627(16) 0.0429(9) Uani 1 1 d . . . . .
H77 H 1.3671 0.0413 0.1187 0.051 Uiso 1 1 calc R U . . .
C78 C 1.2990(2) 0.0956(2) 0.19867(13) 0.0275(7) Uani 1 1 d . . . . .
H78 H 1.3618 0.0995 0.2066 0.033 Uiso 1 1 calc R U . . .
C79 C 1.3290(2) 0.1441(2) 0.31603(11) 0.0171(5) Uani 1 1 d . . . . .
C80 C 1.3823(2) 0.0598(2) 0.34577(12) 0.0239(6) Uani 1 1 d . . . . .
H80 H 1.3467 0.0167 0.3631 0.029 Uiso 1 1 calc R U . . .
C81 C 1.4880(3) 0.0382(3) 0.35018(14) 0.0335(8) Uani 1 1 d . . . . .
H81 H 1.5244 -0.0194 0.3707 0.040 Uiso 1 1 calc R U . . .
C82 C 1.5399(3) 0.1001(3) 0.32492(14) 0.0353(8) Uani 1 1 d . . . . .
H82 H 1.6124 0.0845 0.3275 0.042 Uiso 1 1 calc R U . . .
C83 C 1.4869(3) 0.1847(3) 0.29583(14) 0.0337(8) Uani 1 1 d . . . . .
H83 H 1.5230 0.2276 0.2788 0.040 Uiso 1 1 calc R U . . .
C84 C 1.3814(2) 0.2076(2) 0.29128(13) 0.0246(6) Uani 1 1 d . . . . .
H84 H 1.3450 0.2662 0.2714 0.030 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
Ag01 C3 2.354(3) . ?
Ag01 P006 2.3925(7) . ?
Ag01 C3 2.466(3) 2_756 ?
Ag01 C2 2.587(3) . ?
Ag01 Ag01 3.2037(4) 2_756 ?
C1 B3 1.700(4) . ?
C1 B5 1.703(4) . ?
C1 B6 1.708(4) . ?
C1 B4 1.710(4) . ?
C1 B2 1.712(4) . ?
C1 H1 1.1200 . ?
N1 C038 1.213(9) . ?
Ag02 C3 2.088(3) . ?
Ag02 P005 2.3770(7) . ?
B2 B10 1.771(4) . ?
B2 B11 1.772(4) . ?
B2 B3 1.780(5) . ?
B2 B5 1.781(5) . ?
B2 H2 1.1200 . ?
C2 C3 1.226(4) . ?
C2 B12 1.558(4) . ?
Ag03 C6 2.378(3) . ?
Ag03 P008 2.4045(7) . ?
Ag03 C106 2.529(3) . ?
Ag03 C6 2.555(3) 2_577 ?
B3 B9 1.776(4) . ?
B3 B10 1.778(4) . ?
B3 B4 1.778(5) . ?
B3 H3 1.1200 . ?
C3 Ag01 2.466(3) 2_756 ?
Ag04 C6 2.087(3) . ?
Ag04 P007 2.3767(8) . ?
B4 B9 1.767(4) . ?
B4 B8 1.777(4) . ?
B4 B6 1.779(5) . ?
B4 H4 1.1200 . ?
C4 B14 1.695(4) . ?
C4 B17 1.696(5) . ?
C4 B13 1.706(5) . ?
C4 B16 1.710(5) . ?
C4 B15 1.711(5) . ?
C4 H4A 1.1200 . ?
P005 C79 1.815(3) . ?
P005 C67 1.821(3) . ?
P005 C73 1.824(3) . ?
B5 B7 1.770(5) . ?
B5 B6 1.771(5) . ?
B5 B11 1.774(4) . ?
B5 H5 1.1200 . ?
P006 C55 1.812(3) . ?
P006 C61 1.819(3) . ?
P006 C49 1.821(3) . ?
B6 B8 1.767(4) . ?
B6 B7 1.771(5) . ?
B6 H6 1.1200 . ?
C6 C106 1.225(4) . ?
C6 Ag03 2.555(3) 2_577 ?
P007 C19 1.818(3) . ?
P007 C13 1.820(3) . ?
P007 C100 1.828(3) . ?
B7 B12 1.782(4) . ?
B7 B11 1.785(4) . ?
B7 B8 1.795(4) . ?
B7 H7 1.1200 . ?
P008 C25 1.817(3) . ?
P008 C31 1.819(3) . ?
P008 C37 1.826(3) . ?
B8 B12 1.786(4) . ?
B8 B9 1.789(4) . ?
B8 H8 1.1200 . ?
B9 B12 1.785(4) . ?
B9 B10 1.791(4) . ?
B9 H9A 1.1200 . ?
B10 B12 1.786(4) . ?
B10 B11 1.794(4) . ?
B10 H10A 1.1200 . ?
C106 B24 1.559(4) . ?
C105 C104 1.384(5) . ?
C105 C100 1.392(5) . ?
C105 H105 0.9500 . ?
C104 C103 1.381(7) . ?
C104 H104 0.9500 . ?
C103 C102 1.371(6) . ?
C103 H103 0.9500 . ?
C102 C101 1.392(5) . ?
C102 H102 0.9500 . ?
C101 C100 1.379(5) . ?
C101 H101 0.9500 . ?
B11 B12 1.783(4) . ?
B11 H11A 1.1200 . ?
C13 C18 1.382(4) . ?
C13 C14 1.383(4) . ?
B13 B19 1.767(4) . ?
B13 B17 1.771(5) . ?
B13 B18 1.773(5) . ?
B13 B14 1.774(5) . ?
B13 H13 1.1200 . ?
C14 C15 1.385(5) . ?
C14 H14 0.9500 . ?
B14 B19 1.766(5) . ?
B14 B20 1.774(5) . ?
B14 B15 1.783(5) . ?
B14 H14A 1.1200 . ?
C15 C16 1.370(6) . ?
C15 H15 0.9500 . ?
B15 B20 1.766(4) . ?
B15 B16 1.779(5) . ?
B15 B21 1.783(5) . ?
B15 H15A 1.1200 . ?
C16 C17 1.375(6) . ?
C16 H16 0.9500 . ?
B16 B22 1.772(5) . ?
B16 B21 1.780(5) . ?
B16 B17 1.780(5) . ?
B16 H16A 1.1200 . ?
C18 C17 1.394(5) . ?
C18 H18 0.9500 . ?
B18 B17 1.768(5) . ?
B18 B24 1.785(4) . ?
B18 B19 1.788(5) . ?
B18 B22 1.797(5) . ?
B18 H18A 1.1200 . ?
C17 H17 0.9500 . ?
B17 B22 1.777(5) . ?
B17 H17A 1.1200 . ?
C19 C24 1.394(4) . ?
C19 C20 1.398(4) . ?
B19 B24 1.779(4) . ?
B19 B20 1.784(5) . ?
B19 H19 1.1200 . ?
C20 C21 1.391(4) . ?
C20 H20 0.9500 . ?
B20 B24 1.786(4) . ?
B20 B21 1.786(5) . ?
B20 H20A 1.1200 . ?
C21 C22 1.386(5) . ?
C21 H21 0.9500 . ?
B21 B22 1.784(5) . ?
B21 B24 1.791(4) . ?
B21 H21A 1.1200 . ?
C22 C23 1.382(5) . ?
C22 H22 0.9500 . ?
B22 B24 1.775(4) . ?
B22 H22A 1.1200 . ?
C23 C24 1.390(4) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C30 1.371(5) . ?
C25 C26 1.386(5) . ?
C26 C27 1.385(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.366(6) . ?
C27 H27 0.9500 . ?
C28 C29 1.358(6) . ?
C28 H28 0.9500 . ?
C29 C30 1.384(5) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.381(5) . ?
C31 C36 1.388(4) . ?
C32 C33 1.386(5) . ?
C32 H32 0.9500 . ?
C33 C34 1.375(6) . ?
C33 H33 0.9500 . ?
C34 C35 1.346(7) . ?
C34 H34 0.9500 . ?
C35 C36 1.380(6) . ?
C35 H35 0.9500 . ?
C37 C42 1.394(4) . ?
C37 C38 1.399(4) . ?
C36 H36 0.9500 . ?
C038 C039 1.480(10) . ?
C38 C39 1.389(4) . ?
C38 H38 0.9500 . ?
C039 H03A 0.9800 . ?
C039 H03B 0.9800 . ?
C039 H03C 0.9800 . ?
C39 C40 1.380(5) . ?
C39 H39 0.9500 . ?
C40 C41 1.377(5) . ?
C40 H40 0.9500 . ?
C41 C42 1.391(4) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 C44 1.284(7) . ?
C43 C48 1.435(8) . ?
C43 H43 0.9500 . ?
C44 C45 1.413(8) . ?
C44 H44 0.9500 . ?
C45 C46 1.405(8) . ?
C45 H45 0.9500 . ?
C46 C47 1.352(8) . ?
C46 H46 0.9500 . ?
C47 C48 1.378(8) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C49 C50 1.388(4) . ?
C49 C54 1.399(4) . ?
C50 C51 1.393(4) . ?
C50 H50 0.9500 . ?
C51 C52 1.384(4) . ?
C51 H51 0.9500 . ?
C52 C53 1.386(4) . ?
C52 H52 0.9500 . ?
C53 C54 1.387(4) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C55 C56 1.368(4) . ?
C55 C60 1.377(4) . ?
C56 C57 1.385(4) . ?
C56 H56 0.9500 . ?
C57 C58 1.365(5) . ?
C57 H57 0.9500 . ?
C58 C59 1.378(5) . ?
C58 H58 0.9500 . ?
C59 C60 1.390(5) . ?
C59 H59 0.9500 . ?
C60 H60 0.9500 . ?
C61 C62 1.395(4) . ?
C61 C66 1.399(4) . ?
C62 C63 1.391(4) . ?
C62 H62 0.9500 . ?
C63 C64 1.376(5) . ?
C63 H63 0.9500 . ?
C64 C65 1.384(5) . ?
C64 H64 0.9500 . ?
C65 C66 1.388(4) . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
C67 C72 1.383(4) . ?
C67 C68 1.385(4) . ?
C68 C69 1.385(4) . ?
C68 H68 0.9500 . ?
C69 C70 1.369(5) . ?
C69 H69 0.9500 . ?
C70 C71 1.377(5) . ?
C70 H70 0.9500 . ?
C71 C72 1.385(5) . ?
C71 H71 0.9500 . ?
C72 H72 0.9500 . ?
C73 C78 1.386(4) . ?
C73 C74 1.396(4) . ?
C74 C75 1.379(4) . ?
C74 H74 0.9500 . ?
C75 C76 1.378(5) . ?
C75 H75 0.9500 . ?
C76 C77 1.382(5) . ?
C76 H76 0.9500 . ?
C77 C78 1.390(4) . ?
C77 H77 0.9500 . ?
C78 H78 0.9500 . ?
C79 C80 1.385(4) . ?
C79 C84 1.396(4) . ?
C80 C81 1.392(4) . ?
C80 H80 0.9500 . ?
C81 C82 1.373(5) . ?
C81 H81 0.9500 . ?
C82 C83 1.378(5) . ?
C82 H82 0.9500 . ?
C83 C84 1.386(4) . ?
C83 H83 0.9500 . ?
C84 H84 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
C3 Ag01 P006 146.79(7) . . ?
C3 Ag01 C3 96.74(8) . 2_756 ?
P006 Ag01 C3 116.43(6) . 2_756 ?
C3 Ag01 C2 28.22(9) . . ?
P006 Ag01 C2 136.54(6) . . ?
C3 Ag01 C2 95.88(8) 2_756 . ?
C3 Ag01 Ag01 49.86(6) . 2_756 ?
P006 Ag01 Ag01 163.26(2) . 2_756 ?
C3 Ag01 Ag01 46.87(6) 2_756 2_756 ?
C2 Ag01 Ag01 55.34(6) . 2_756 ?
B3 C1 B5 115.1(2) . . ?
B3 C1 B6 114.8(2) . . ?
B5 C1 B6 62.57(19) . . ?
B3 C1 B4 62.86(19) . . ?
B5 C1 B4 114.8(2) . . ?
B6 C1 B4 62.71(18) . . ?
B3 C1 B2 62.91(19) . . ?
B5 C1 B2 62.87(19) . . ?
B6 C1 B2 114.6(2) . . ?
B4 C1 B2 115.0(2) . . ?
B3 C1 H1 117.4 . . ?
B5 C1 H1 117.6 . . ?
B6 C1 H1 117.9 . . ?
B4 C1 H1 117.6 . . ?
B2 C1 H1 117.6 . . ?
C3 Ag02 P005 163.30(8) . . ?
C1 B2 B10 104.4(2) . . ?
C1 B2 B11 104.5(2) . . ?
B10 B2 B11 60.83(17) . . ?
C1 B2 B3 58.21(18) . . ?
B10 B2 B3 60.08(18) . . ?
B11 B2 B3 108.5(2) . . ?
C1 B2 B5 58.32(18) . . ?
B10 B2 B5 108.3(2) . . ?
B11 B2 B5 59.91(18) . . ?
B3 B2 B5 107.5(2) . . ?
C1 B2 H2 125.3 . . ?
B10 B2 H2 122.0 . . ?
B11 B2 H2 121.9 . . ?
B3 B2 H2 121.6 . . ?
B5 B2 H2 121.7 . . ?
C3 C2 B12 176.5(3) . . ?
C3 C2 Ag01 65.28(17) . . ?
B12 C2 Ag01 117.65(17) . . ?
C6 Ag03 P008 151.62(7) . . ?
C6 Ag03 C106 28.71(9) . . ?
P008 Ag03 C106 144.04(6) . . ?
C6 Ag03 C6 91.84(9) . 2_577 ?
P008 Ag03 C6 116.47(7) . 2_577 ?
C106 Ag03 C6 88.92(8) . 2_577 ?
C1 B3 B9 104.5(2) . . ?
C1 B3 B10 104.7(2) . . ?
B9 B3 B10 60.51(17) . . ?
C1 B3 B4 58.87(18) . . ?
B9 B3 B4 59.63(18) . . ?
B10 B3 B4 108.3(2) . . ?
C1 B3 B2 58.89(18) . . ?
B9 B3 B2 108.1(2) . . ?
B10 B3 B2 59.72(18) . . ?
B4 B3 B2 108.4(2) . . ?
C1 B3 H3 124.8 . . ?
B9 B3 H3 122.4 . . ?
B10 B3 H3 122.2 . . ?
B4 B3 H3 121.3 . . ?
B2 B3 H3 121.4 . . ?
C2 C3 Ag02 161.4(2) . . ?
C2 C3 Ag01 86.51(18) . . ?
Ag02 C3 Ag01 109.27(11) . . ?
C2 C3 Ag01 89.48(17) . 2_756 ?
Ag02 C3 Ag01 101.80(11) . 2_756 ?
Ag01 C3 Ag01 83.26(8) . 2_756 ?
C6 Ag04 P007 160.41(8) . . ?
C1 B4 B9 104.4(2) . . ?
C1 B4 B8 104.5(2) . . ?
B9 B4 B8 60.63(17) . . ?
C1 B4 B3 58.27(18) . . ?
B9 B4 B3 60.13(18) . . ?
B8 B4 B3 108.5(2) . . ?
C1 B4 B6 58.59(18) . . ?
B9 B4 B6 107.9(2) . . ?
B8 B4 B6 59.58(17) . . ?
B3 B4 B6 107.6(2) . . ?
C1 B4 H4 125.2 . . ?
B9 B4 H4 122.2 . . ?
B8 B4 H4 122.1 . . ?
B3 B4 H4 121.5 . . ?
B6 B4 H4 121.8 . . ?
B14 C4 B17 114.9(2) . . ?
B14 C4 B13 62.87(19) . . ?
B17 C4 B13 62.7(2) . . ?
B14 C4 B16 115.1(2) . . ?
B17 C4 B16 63.0(2) . . ?
B13 C4 B16 115.2(2) . . ?
B14 C4 B15 63.11(19) . . ?
B17 C4 B15 115.0(2) . . ?
B13 C4 B15 115.4(2) . . ?
B16 C4 B15 62.7(2) . . ?
B14 C4 H4A 117.5 . . ?
B17 C4 H4A 117.6 . . ?
B13 C4 H4A 117.4 . . ?
B16 C4 H4A 117.4 . . ?
B15 C4 H4A 117.4 . . ?
C79 P005 C67 105.37(13) . . ?
C79 P005 C73 105.19(12) . . ?
C67 P005 C73 104.37(13) . . ?
C79 P005 Ag02 116.47(9) . . ?
C67 P005 Ag02 114.11(9) . . ?
C73 P005 Ag02 110.28(9) . . ?
C1 B5 B7 105.1(2) . . ?
C1 B5 B6 58.86(18) . . ?
B7 B5 B6 60.01(18) . . ?
C1 B5 B11 104.8(2) . . ?
B7 B5 B11 60.47(18) . . ?
B6 B5 B11 108.3(2) . . ?
C1 B5 B2 58.82(18) . . ?
B7 B5 B2 108.4(2) . . ?
B6 B5 B2 108.3(2) . . ?
B11 B5 B2 59.81(18) . . ?
C1 B5 H5 124.7 . . ?
B7 B5 H5 122.0 . . ?
B6 B5 H5 121.3 . . ?
B11 B5 H5 122.3 . . ?
B2 B5 H5 121.4 . . ?
C55 P006 C61 105.81(13) . . ?
C55 P006 C49 104.56(12) . . ?
C61 P006 C49 104.75(13) . . ?
C55 P006 Ag01 113.95(9) . . ?
C61 P006 Ag01 112.59(9) . . ?
C49 P006 Ag01 114.27(9) . . ?
C1 B6 B8 105.0(2) . . ?
C1 B6 B7 104.8(2) . . ?
B8 B6 B7 60.99(17) . . ?
C1 B6 B5 58.57(18) . . ?
B8 B6 B5 108.8(2) . . ?
B7 B6 B5 59.95(18) . . ?
C1 B6 B4 58.71(18) . . ?
B8 B6 B4 60.16(17) . . ?
B7 B6 B4 108.9(2) . . ?
B5 B6 B4 108.2(2) . . ?
C1 B6 H6 124.9 . . ?
B8 B6 H6 121.7 . . ?
B7 B6 H6 121.9 . . ?
B5 B6 H6 121.4 . . ?
B4 B6 H6 121.2 . . ?
C106 C6 Ag04 162.6(2) . . ?
C106 C6 Ag03 82.49(19) . . ?
Ag04 C6 Ag03 114.15(11) . . ?
C106 C6 Ag03 84.20(18) . 2_577 ?
Ag04 C6 Ag03 100.77(10) . 2_577 ?
Ag03 C6 Ag03 88.16(9) . 2_577 ?
C19 P007 C13 105.13(13) . . ?
C19 P007 C100 103.82(13) . . ?
C13 P007 C100 105.32(14) . . ?
C19 P007 Ag04 116.79(10) . . ?
C13 P007 Ag04 114.50(10) . . ?
C100 P007 Ag04 110.17(11) . . ?
B5 B7 B6 60.03(18) . . ?
B5 B7 B12 107.4(2) . . ?
B6 B7 B12 107.0(2) . . ?
B5 B7 B11 59.88(18) . . ?
B6 B7 B11 107.9(2) . . ?
B12 B7 B11 59.98(17) . . ?
B5 B7 B8 107.6(2) . . ?
B6 B7 B8 59.38(17) . . ?
B12 B7 B8 59.89(17) . . ?
B11 B7 B8 108.1(2) . . ?
B5 B7 H7 121.9 . . ?
B6 B7 H7 122.2 . . ?
B12 B7 H7 122.2 . . ?
B11 B7 H7 121.5 . . ?
B8 B7 H7 121.9 . . ?
C25 P008 C31 104.17(15) . . ?
C25 P008 C37 104.02(14) . . ?
C31 P008 C37 103.52(14) . . ?
C25 P008 Ag03 114.82(10) . . ?
C31 P008 Ag03 116.54(10) . . ?
C37 P008 Ag03 112.37(9) . . ?
B6 B8 B4 60.26(18) . . ?
B6 B8 B12 107.1(2) . . ?
B4 B8 B12 107.2(2) . . ?
B6 B8 B9 107.5(2) . . ?
B4 B8 B9 59.41(17) . . ?
B12 B8 B9 59.90(17) . . ?
B6 B8 B7 59.63(17) . . ?
B4 B8 B7 107.9(2) . . ?
B12 B8 B7 59.69(17) . . ?
B9 B8 B7 107.7(2) . . ?
B6 B8 H8 122.1 . . ?
B4 B8 H8 121.9 . . ?
B12 B8 H8 122.3 . . ?
B9 B8 H8 122.0 . . ?
B7 B8 H8 121.8 . . ?
B4 B9 B3 60.25(18) . . ?
B4 B9 B12 107.7(2) . . ?
B3 B9 B12 107.5(2) . . ?
B4 B9 B8 59.96(17) . . ?
B3 B9 B8 108.1(2) . . ?
B12 B9 B8 59.96(16) . . ?
B4 B9 B10 108.2(2) . . ?
B3 B9 B10 59.80(18) . . ?
B12 B9 B10 59.92(17) . . ?
B8 B9 B10 108.3(2) . . ?
B4 B9 H9A 121.6 . . ?
B3 B9 H9A 121.9 . . ?
B12 B9 H9A 122.1 . . ?
B8 B9 H9A 121.6 . . ?
B10 B9 H9A 121.6 . . ?
B2 B10 B3 60.21(18) . . ?
B2 B10 B12 107.3(2) . . ?
B3 B10 B12 107.3(2) . . ?
B2 B10 B9 107.9(2) . . ?
B3 B10 B9 59.70(18) . . ?
B12 B10 B9 59.87(17) . . ?
B2 B10 B11 59.61(18) . . ?
B3 B10 B11 107.7(2) . . ?
B12 B10 B11 59.74(17) . . ?
B9 B10 B11 107.8(2) . . ?
B2 B10 H10A 121.9 . . ?
B3 B10 H10A 121.9 . . ?
B12 B10 H10A 122.2 . . ?
B9 B10 H10A 121.8 . . ?
B11 B10 H10A 122.0 . . ?
C6 C106 B24 177.1(3) . . ?
C6 C106 Ag03 68.80(17) . . ?
B24 C106 Ag03 113.09(18) . . ?
C104 C105 C100 120.6(4) . . ?
C104 C105 H105 119.7 . . ?
C100 C105 H105 119.7 . . ?
C103 C104 C105 119.7(4) . . ?
C103 C104 H104 120.1 . . ?
C105 C104 H104 120.1 . . ?
C102 C103 C104 120.1(3) . . ?
C102 C103 H103 120.0 . . ?
C104 C103 H103 120.0 . . ?
C103 C102 C101 120.3(4) . . ?
C103 C102 H102 119.9 . . ?
C101 C102 H102 119.9 . . ?
C100 C101 C102 120.3(4) . . ?
C100 C101 H101 119.8 . . ?
C102 C101 H101 119.8 . . ?
C101 C100 C105 118.9(3) . . ?
C101 C100 P007 122.9(3) . . ?
C105 C100 P007 118.1(3) . . ?
B2 B11 B5 60.28(18) . . ?
B2 B11 B12 107.4(2) . . ?
B5 B11 B12 107.2(2) . . ?
B2 B11 B7 108.1(2) . . ?
B5 B11 B7 59.65(18) . . ?
B12 B11 B7 59.93(17) . . ?
B2 B11 B10 59.56(18) . . ?
B5 B11 B10 107.6(2) . . ?
B12 B11 B10 59.89(17) . . ?
B7 B11 B10 108.1(2) . . ?
B2 B11 H11A 121.8 . . ?
B5 B11 H11A 122.1 . . ?
B12 B11 H11A 122.2 . . ?
B7 B11 H11A 121.6 . . ?
B10 B11 H11A 121.9 . . ?
C2 B12 B7 122.6(2) . . ?
C2 B12 B11 123.2(2) . . ?
B7 B12 B11 60.09(17) . . ?
C2 B12 B9 119.6(2) . . ?
B7 B12 B9 108.5(2) . . ?
B11 B12 B9 108.5(2) . . ?
C2 B12 B10 121.2(2) . . ?
B7 B12 B10 108.6(2) . . ?
B11 B12 B10 60.36(17) . . ?
B9 B12 B10 60.20(17) . . ?
C2 B12 B8 120.3(2) . . ?
B7 B12 B8 60.42(17) . . ?
B11 B12 B8 108.6(2) . . ?
B9 B12 B8 60.14(17) . . ?
B10 B12 B8 108.6(2) . . ?
C18 C13 C14 119.1(3) . . ?
C18 C13 P007 122.4(2) . . ?
C14 C13 P007 118.5(2) . . ?
C4 B13 B19 104.1(2) . . ?
C4 B13 B17 58.38(19) . . ?
B19 B13 B17 107.9(2) . . ?
C4 B13 B18 104.5(2) . . ?
B19 B13 B18 60.68(18) . . ?
B17 B13 B18 59.85(19) . . ?
C4 B13 B14 58.27(18) . . ?
B19 B13 B14 59.84(18) . . ?
B17 B13 B14 107.5(2) . . ?
B18 B13 B14 108.5(2) . . ?
C4 B13 H13 125.3 . . ?
B19 B13 H13 122.4 . . ?
B17 B13 H13 121.8 . . ?
B18 B13 H13 121.9 . . ?
B14 B13 H13 121.6 . . ?
C13 C14 C15 120.2(3) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 H14 119.9 . . ?
C4 B14 B19 104.6(2) . . ?
C4 B14 B13 58.86(19) . . ?
B19 B14 B13 59.90(18) . . ?
C4 B14 B20 104.4(2) . . ?
B19 B14 B20 60.52(18) . . ?
B13 B14 B20 108.4(2) . . ?
C4 B14 B15 58.88(19) . . ?
B19 B14 B15 108.2(2) . . ?
B13 B14 B15 108.6(2) . . ?
B20 B14 B15 59.56(19) . . ?
C4 B14 H14A 124.9 . . ?
B19 B14 H14A 122.2 . . ?
B13 B14 H14A 121.1 . . ?
B20 B14 H14A 122.4 . . ?
B15 B14 H14A 121.3 . . ?
C16 C15 C14 121.0(4) . . ?
C16 C15 H15 119.5 . . ?
C14 C15 H15 119.5 . . ?
C4 B15 B20 104.0(2) . . ?
C4 B15 B16 58.6(2) . . ?
B20 B15 B16 108.0(2) . . ?
C4 B15 B14 58.01(19) . . ?
B20 B15 B14 59.97(18) . . ?
B16 B15 B14 107.6(3) . . ?
C4 B15 B21 104.5(2) . . ?
B20 B15 B21 60.42(18) . . ?
B16 B15 B21 59.95(19) . . ?
B14 B15 B21 108.3(2) . . ?
C4 B15 H15A 125.3 . . ?
B20 B15 H15A 122.4 . . ?
B16 B15 H15A 121.6 . . ?
B14 B15 H15A 121.7 . . ?
B21 B15 H15A 122.1 . . ?
C15 C16 C17 119.0(4) . . ?
C15 C16 H16 120.5 . . ?
C17 C16 H16 120.5 . . ?
C4 B16 B22 104.3(2) . . ?
C4 B16 B15 58.7(2) . . ?
B22 B16 B15 108.2(2) . . ?
C4 B16 B21 104.7(2) . . ?
B22 B16 B21 60.30(18) . . ?
B15 B16 B21 60.12(19) . . ?
C4 B16 B17 58.1(2) . . ?
B22 B16 B17 60.0(2) . . ?
B15 B16 B17 107.7(3) . . ?
B21 B16 B17 108.2(2) . . ?
C4 B16 H16A 125.1 . . ?
B22 B16 H16A 122.3 . . ?
B15 B16 H16A 121.4 . . ?
B21 B16 H16A 122.1 . . ?
B17 B16 H16A 121.7 . . ?
C13 C18 C17 120.0(3) . . ?
C13 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
B17 B18 B13 60.01(19) . . ?
B17 B18 B24 107.0(2) . . ?
B13 B18 B24 107.3(2) . . ?
B17 B18 B19 107.1(2) . . ?
B13 B18 B19 59.52(18) . . ?
B24 B18 B19 59.70(18) . . ?
B17 B18 B22 59.80(19) . . ?
B13 B18 B22 107.7(2) . . ?
B24 B18 B22 59.42(18) . . ?
B19 B18 B22 107.1(2) . . ?
B17 B18 H18A 122.1 . . ?
B13 B18 H18A 121.9 . . ?
B24 B18 H18A 122.3 . . ?
B19 B18 H18A 122.3 . . ?
B22 B18 H18A 122.1 . . ?
C16 C17 C18 120.7(4) . . ?
C16 C17 H17 119.6 . . ?
C18 C17 H17 119.6 . . ?
C4 B17 B18 105.2(2) . . ?
C4 B17 B13 58.90(19) . . ?
B18 B17 B13 60.13(19) . . ?
C4 B17 B22 104.6(2) . . ?
B18 B17 B22 60.91(19) . . ?
B13 B17 B22 108.7(2) . . ?
C4 B17 B16 58.9(2) . . ?
B18 B17 B16 108.9(2) . . ?
B13 B17 B16 108.7(2) . . ?
B22 B17 B16 59.7(2) . . ?
C4 B17 H17A 124.8 . . ?
B18 B17 H17A 121.7 . . ?
B13 B17 H17A 121.1 . . ?
B22 B17 H17A 122.2 . . ?
B16 B17 H17A 121.2 . . ?
C24 C19 C20 119.8(3) . . ?
C24 C19 P007 121.9(2) . . ?
C20 C19 P007 118.3(2) . . ?
B14 B19 B13 60.26(18) . . ?
B14 B19 B24 108.0(2) . . ?
B13 B19 B24 107.9(2) . . ?
B14 B19 B20 59.95(18) . . ?
B13 B19 B20 108.2(2) . . ?
B24 B19 B20 60.16(18) . . ?
B14 B19 B18 108.2(2) . . ?
B13 B19 B18 59.80(18) . . ?
B24 B19 B18 60.07(18) . . ?
B20 B19 B18 108.3(2) . . ?
B14 B19 H19 121.6 . . ?
B13 B19 H19 121.7 . . ?
B24 B19 H19 121.8 . . ?
B20 B19 H19 121.5 . . ?
B18 B19 H19 121.6 . . ?
C21 C20 C19 120.0(3) . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
B15 B20 B14 60.47(19) . . ?
B15 B20 B19 108.2(2) . . ?
B14 B20 B19 59.53(18) . . ?
B15 B20 B24 108.0(2) . . ?
B14 B20 B24 107.3(2) . . ?
B19 B20 B24 59.76(18) . . ?
B15 B20 B21 60.25(18) . . ?
B14 B20 B21 108.5(2) . . ?
B19 B20 B21 108.4(2) . . ?
B24 B20 B21 60.17(17) . . ?
B15 B20 H20A 121.4 . . ?
B14 B20 H20A 121.8 . . ?
B19 B20 H20A 121.8 . . ?
B24 B20 H20A 122.1 . . ?
B21 B20 H20A 121.2 . . ?
C22 C21 C20 119.7(3) . . ?
C22 C21 H21 120.2 . . ?
C20 C21 H21 120.2 . . ?
B16 B21 B15 59.92(19) . . ?
B16 B21 B22 59.62(19) . . ?
B15 B21 B22 107.5(2) . . ?
B16 B21 B20 107.1(2) . . ?
B15 B21 B20 59.33(18) . . ?
B22 B21 B20 107.5(2) . . ?
B16 B21 B24 106.9(2) . . ?
B15 B21 B24 107.1(2) . . ?
B22 B21 B24 59.56(17) . . ?
B20 B21 B24 59.90(17) . . ?
B16 B21 H21A 122.3 . . ?
B15 B21 H21A 122.2 . . ?
B22 B21 H21A 122.0 . . ?
B20 B21 H21A 122.1 . . ?
B24 B21 H21A 122.3 . . ?
C23 C22 C21 120.4(3) . . ?
C23 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
B16 B22 B24 107.9(2) . . ?
B16 B22 B17 60.2(2) . . ?
B24 B22 B17 107.1(2) . . ?
B16 B22 B21 60.08(19) . . ?
B24 B22 B21 60.40(18) . . ?
B17 B22 B21 108.2(2) . . ?
B16 B22 B18 108.0(2) . . ?
B24 B22 B18 59.97(18) . . ?
B17 B22 B18 59.29(19) . . ?
B21 B22 B18 108.7(2) . . ?
B16 B22 H22A 121.6 . . ?
B24 B22 H22A 122.0 . . ?
B17 B22 H22A 122.2 . . ?
B21 B22 H22A 121.1 . . ?
B18 B22 H22A 121.7 . . ?
C22 C23 C24 120.4(3) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 H23 119.8 . . ?
C23 C24 C19 119.5(3) . . ?
C23 C24 H24 120.2 . . ?
C19 C24 H24 120.2 . . ?
C106 B24 B22 121.4(2) . . ?
C106 B24 B19 120.4(2) . . ?
B22 B24 B19 108.5(2) . . ?
C106 B24 B18 119.1(2) . . ?
B22 B24 B18 60.61(18) . . ?
B19 B24 B18 60.24(18) . . ?
C106 B24 B20 123.1(2) . . ?
B22 B24 B20 107.9(2) . . ?
B19 B24 B20 60.08(18) . . ?
B18 B24 B20 108.4(2) . . ?
C106 B24 B21 123.3(2) . . ?
B22 B24 B21 60.04(18) . . ?
B19 B24 B21 108.4(2) . . ?
B18 B24 B21 108.9(2) . . ?
B20 B24 B21 59.92(18) . . ?
C30 C25 C26 118.7(3) . . ?
C30 C25 P008 119.1(2) . . ?
C26 C25 P008 122.1(3) . . ?
C27 C26 C25 120.0(4) . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C28 C27 C26 120.4(4) . . ?
C28 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
C29 C28 C27 119.9(3) . . ?
C29 C28 H28 120.1 . . ?
C27 C28 H28 120.1 . . ?
C28 C29 C30 120.2(3) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 H29 119.9 . . ?
C25 C30 C29 120.8(3) . . ?
C25 C30 H30 119.6 . . ?
C29 C30 H30 119.6 . . ?
C32 C31 C36 118.7(3) . . ?
C32 C31 P008 118.1(2) . . ?
C36 C31 P008 123.2(3) . . ?
C31 C32 C33 120.5(4) . . ?
C31 C32 H32 119.7 . . ?
C33 C32 H32 119.7 . . ?
C34 C33 C32 119.5(4) . . ?
C34 C33 H33 120.2 . . ?
C32 C33 H33 120.2 . . ?
C35 C34 C33 120.4(4) . . ?
C35 C34 H34 119.8 . . ?
C33 C34 H34 119.8 . . ?
C34 C35 C36 120.9(4) . . ?
C34 C35 H35 119.5 . . ?
C36 C35 H35 119.5 . . ?
C42 C37 C38 119.1(3) . . ?
C42 C37 P008 123.1(2) . . ?
C38 C37 P008 117.9(2) . . ?
C35 C36 C31 119.9(4) . . ?
C35 C36 H36 120.0 . . ?
C31 C36 H36 120.0 . . ?
N1 C038 C039 178.8(9) . . ?
C39 C38 C37 120.0(3) . . ?
C39 C38 H38 120.0 . . ?
C37 C38 H38 120.0 . . ?
C038 C039 H03A 109.5 . . ?
C038 C039 H03B 109.5 . . ?
H03A C039 H03B 109.5 . . ?
C038 C039 H03C 109.5 . . ?
H03A C039 H03C 109.5 . . ?
H03B C039 H03C 109.5 . . ?
C40 C39 C38 120.4(3) . . ?
C40 C39 H39 119.8 . . ?
C38 C39 H39 119.8 . . ?
C41 C40 C39 120.1(3) . . ?
C41 C40 H40 119.9 . . ?
C39 C40 H40 119.9 . . ?
C40 C41 C42 120.3(3) . . ?
C40 C41 H41 119.9 . . ?
C42 C41 H41 119.9 . . ?
C41 C42 C37 120.2(3) . . ?
C41 C42 H42 119.9 . . ?
C37 C42 H42 119.9 . . ?
C44 C43 C48 119.9(6) . . ?
C44 C43 H43 120.0 . . ?
C48 C43 H43 120.0 . . ?
C43 C44 C45 120.4(6) . . ?
C43 C44 H44 119.8 . . ?
C45 C44 H44 119.8 . . ?
C46 C45 C44 121.0(6) . . ?
C46 C45 H45 119.5 . . ?
C44 C45 H45 119.5 . . ?
C47 C46 C45 117.9(6) . . ?
C47 C46 H46 121.0 . . ?
C45 C46 H46 121.0 . . ?
C46 C47 C48 120.7(5) . . ?
C46 C47 H47 119.7 . . ?
C48 C47 H47 119.7 . . ?
C47 C48 C43 120.0(6) . . ?
C47 C48 H48 120.0 . . ?
C43 C48 H48 120.0 . . ?
C50 C49 C54 119.3(3) . . ?
C50 C49 P006 123.3(2) . . ?
C54 C49 P006 117.3(2) . . ?
C49 C50 C51 119.9(3) . . ?
C49 C50 H50 120.1 . . ?
C51 C50 H50 120.1 . . ?
C52 C51 C50 120.5(3) . . ?
C52 C51 H51 119.8 . . ?
C50 C51 H51 119.8 . . ?
C51 C52 C53 119.9(3) . . ?
C51 C52 H52 120.0 . . ?
C53 C52 H52 120.0 . . ?
C52 C53 C54 119.8(3) . . ?
C52 C53 H53 120.1 . . ?
C54 C53 H53 120.1 . . ?
C53 C54 C49 120.5(3) . . ?
C53 C54 H54 119.8 . . ?
C49 C54 H54 119.8 . . ?
C56 C55 C60 118.5(3) . . ?
C56 C55 P006 118.2(2) . . ?
C60 C55 P006 123.3(2) . . ?
C55 C56 C57 121.5(3) . . ?
C55 C56 H56 119.3 . . ?
C57 C56 H56 119.3 . . ?
C58 C57 C56 120.0(3) . . ?
C58 C57 H57 120.0 . . ?
C56 C57 H57 120.0 . . ?
C57 C58 C59 119.3(3) . . ?
C57 C58 H58 120.4 . . ?
C59 C58 H58 120.4 . . ?
C58 C59 C60 120.3(3) . . ?
C58 C59 H59 119.9 . . ?
C60 C59 H59 119.9 . . ?
C55 C60 C59 120.4(3) . . ?
C55 C60 H60 119.8 . . ?
C59 C60 H60 119.8 . . ?
C62 C61 C66 119.3(3) . . ?
C62 C61 P006 123.0(2) . . ?
C66 C61 P006 117.7(2) . . ?
C63 C62 C61 119.7(3) . . ?
C63 C62 H62 120.2 . . ?
C61 C62 H62 120.2 . . ?
C64 C63 C62 120.6(3) . . ?
C64 C63 H63 119.7 . . ?
C62 C63 H63 119.7 . . ?
C63 C64 C65 120.3(3) . . ?
C63 C64 H64 119.8 . . ?
C65 C64 H64 119.8 . . ?
C64 C65 C66 119.8(3) . . ?
C64 C65 H65 120.1 . . ?
C66 C65 H65 120.1 . . ?
C65 C66 C61 120.3(3) . . ?
C65 C66 H66 119.8 . . ?
C61 C66 H66 119.8 . . ?
C72 C67 C68 119.1(3) . . ?
C72 C67 P005 122.3(2) . . ?
C68 C67 P005 118.6(2) . . ?
C67 C68 C69 120.5(3) . . ?
C67 C68 H68 119.7 . . ?
C69 C68 H68 119.7 . . ?
C70 C69 C68 120.2(3) . . ?
C70 C69 H69 119.9 . . ?
C68 C69 H69 119.9 . . ?
C69 C70 C71 119.7(3) . . ?
C69 C70 H70 120.2 . . ?
C71 C70 H70 120.2 . . ?
C70 C71 C72 120.7(4) . . ?
C70 C71 H71 119.7 . . ?
C72 C71 H71 119.7 . . ?
C67 C72 C71 119.9(3) . . ?
C67 C72 H72 120.1 . . ?
C71 C72 H72 120.1 . . ?
C78 C73 C74 119.1(3) . . ?
C78 C73 P005 123.4(2) . . ?
C74 C73 P005 117.4(2) . . ?
C75 C74 C73 120.5(3) . . ?
C75 C74 H74 119.8 . . ?
C73 C74 H74 119.8 . . ?
C76 C75 C74 120.4(3) . . ?
C76 C75 H75 119.8 . . ?
C74 C75 H75 119.8 . . ?
C75 C76 C77 119.5(3) . . ?
C75 C76 H76 120.2 . . ?
C77 C76 H76 120.2 . . ?
C76 C77 C78 120.6(3) . . ?
C76 C77 H77 119.7 . . ?
C78 C77 H77 119.7 . . ?
C73 C78 C77 119.8(3) . . ?
C73 C78 H78 120.1 . . ?
C77 C78 H78 120.1 . . ?
C80 C79 C84 119.6(3) . . ?
C80 C79 P005 117.8(2) . . ?
C84 C79 P005 122.6(2) . . ?
C79 C80 C81 119.9(3) . . ?
C79 C80 H80 120.0 . . ?
C81 C80 H80 120.0 . . ?
C82 C81 C80 120.2(3) . . ?
C82 C81 H81 119.9 . . ?
C80 C81 H81 119.9 . . ?
C81 C82 C83 120.2(3) . . ?
C81 C82 H82 119.9 . . ?
C83 C82 H82 119.9 . . ?
C82 C83 C84 120.4(3) . . ?
C82 C83 H83 119.8 . . ?
C84 C83 H83 119.8 . . ?
C83 C84 C79 119.6(3) . . ?
C83 C84 H84 120.2 . . ?
C79 C84 H84 120.2 . . ?

_refine_diff_density_max         0.961
_refine_diff_density_min         -1.047
_refine_diff_density_rms         0.084

####################################################################### 
# 
# 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_[12-(Ph3PAu)2CC-closo-1-CB11H11]Et2O
_database_code_depnum_ccdc_archive 'CCDC 1856195'
loop_
_audit_author_name
_audit_author_address
'Maik Finze'
;University of W?rzburg
Germany
;
_audit_update_record             
;
2018-07-16 deposited with the CCDC.	2019-07-10 downloaded from the CCDC.
;

#=================================================================
#DATA 1 [12-(Ph3PAu)2CC-closo-1-CB11H11]Et2O
#=================================================================

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C39 H41 Au2 B11 P2, C4 H10 O'
_chemical_formula_sum            'C43 H51 Au2 B11 O P2'
_chemical_formula_weight         1158.62

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'
B B 0.0013 0.0007 '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'
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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

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

_cell_length_a                   12.4449(4)
_cell_length_b                   14.1794(5)
_cell_length_c                   14.3583(5)
_cell_angle_alpha                83.949(3)
_cell_angle_beta                 85.674(3)
_cell_angle_gamma                73.294(3)
_cell_volume                     2410.51(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    9614
_cell_measurement_theta_min      2.9136
_cell_measurement_theta_max      29.0397

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.596
_exptl_crystal_F_000             1120
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_exptl_absorpt_coefficient_mu    6.177
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.29417
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov  6 2009,16:24:50)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      273(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_detector_area_resol_mean 16.2711
_diffrn_reflns_number            16920
_diffrn_reflns_av_unetI/netI     0.0717
_diffrn_reflns_av_R_equivalents  0.0351
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.922
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             9476
_reflns_number_gt                6530
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
;
_computing_cell_refinement       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
;
_computing_data_reduction        
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Diamond4 (Crystal Impact GbR, 2016)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0858P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9476
_refine_ls_number_parameters     534
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.0801
_refine_ls_R_factor_gt           0.0481
_refine_ls_wR_factor_ref         0.1402
_refine_ls_wR_factor_gt          0.1313
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_restrained_S_all      1.020
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C -0.4421(9) 0.8767(8) 0.0821(8) 0.036(3) Uani 1 1 d . . . . .
H1A H -0.5010 0.8905 0.0255 0.044 Uiso 1 1 calc R U . . .
B2 B -0.3511(9) 0.9469(9) 0.0764(8) 0.030(3) Uani 1 1 d . . . . .
H2A H -0.3449 1.0043 0.0201 0.036 Uiso 1 1 calc R U . . .
B3 B -0.3034(10) 0.8214(9) 0.0573(8) 0.030(3) Uani 1 1 d . . . . .
H3A H -0.2666 0.7985 -0.0117 0.036 Uiso 1 1 calc R U . . .
B4 B -0.3870(10) 0.7568(9) 0.1260(8) 0.031(3) Uani 1 1 d . . . . .
H4A H -0.4039 0.6917 0.1016 0.037 Uiso 1 1 calc R U . . .
B5 B -0.4906(9) 0.8447(10) 0.1903(9) 0.032(3) Uani 1 1 d . . . . .
H5A H -0.5749 0.8357 0.2080 0.039 Uiso 1 1 calc R U . . .
B6 B -0.4684(10) 0.9621(10) 0.1583(9) 0.038(3) Uani 1 1 d . . . . .
H6A H -0.5387 1.0302 0.1545 0.046 Uiso 1 1 calc R U . . .
B7 B -0.2331(9) 0.8700(10) 0.1334(8) 0.030(3) Uani 1 1 d . . . . .
H7A H -0.1481 0.8775 0.1161 0.036 Uiso 1 1 calc R U . . .
B8 B -0.2569(9) 0.7530(9) 0.1615(7) 0.023(2) Uani 1 1 d . . . . .
H8A H -0.1876 0.6843 0.1615 0.027 Uiso 1 1 calc R U . . .
B9 B -0.3723(9) 0.7666(9) 0.2462(8) 0.027(3) Uani 1 1 d . . . . .
H9A H -0.3783 0.7078 0.3010 0.032 Uiso 1 1 calc R U . . .
B10 B -0.4239(9) 0.8976(10) 0.2673(8) 0.030(3) Uani 1 1 d . . . . .
H10A H -0.4634 0.9235 0.3347 0.035 Uiso 1 1 calc R U . . .
B11 B -0.3342(9) 0.9593(9) 0.1958(8) 0.028(3) Uani 1 1 d . . . . .
H11A H -0.3156 1.0247 0.2180 0.034 Uiso 1 1 calc R U . . .
B12 B -0.2764(8) 0.8383(9) 0.2501(7) 0.022(2) Uani 1 1 d . . . . .
C2 C -0.1952(7) 0.8202(7) 0.3294(6) 0.020(2) Uani 1 1 d . . . . .
C3 C -0.1347(7) 0.8142(8) 0.3961(6) 0.025(2) Uani 1 1 d . . . . .
Au1 Au -0.03009(3) 0.81058(3) 0.49713(2) 0.02408(12) Uani 1 1 d . . . . .
P1 P 0.08641(18) 0.8186(2) 0.60793(16) 0.0200(5) Uani 1 1 d . . . . .
C4 C 0.1936(7) 0.8755(7) 0.5623(6) 0.022(2) Uani 1 1 d . . . . .
C5 C 0.1834(9) 0.9300(8) 0.4758(7) 0.036(3) Uani 1 1 d . . . . .
H5 H 0.1199 0.9381 0.4422 0.043 Uiso 1 1 calc R U . . .
C6 C 0.2650(10) 0.9722(10) 0.4390(8) 0.048(3) Uani 1 1 d . . . . .
H6 H 0.2571 1.0078 0.3804 0.057 Uiso 1 1 calc R U . . .
C7 C 0.3558(10) 0.9623(10) 0.4869(9) 0.051(4) Uani 1 1 d . . . . .
H7 H 0.4102 0.9918 0.4608 0.061 Uiso 1 1 calc R U . . .
C8 C 0.3718(9) 0.9104(10) 0.5731(8) 0.047(3) Uani 1 1 d . . . . .
H8 H 0.4348 0.9055 0.6064 0.057 Uiso 1 1 calc R U . . .
C9 C 0.2905(8) 0.8656(10) 0.6087(7) 0.040(3) Uani 1 1 d . . . . .
H9 H 0.3012 0.8274 0.6658 0.048 Uiso 1 1 calc R U . . .
C10 C 0.1595(7) 0.7010(8) 0.6695(7) 0.026(2) Uani 1 1 d . . . . .
C11 C 0.1851(8) 0.6148(9) 0.6295(9) 0.040(3) Uani 1 1 d . . . . .
H11 H 0.1646 0.6162 0.5682 0.048 Uiso 1 1 calc R U . . .
C12 C 0.2386(10) 0.5268(10) 0.6733(9) 0.048(3) Uani 1 1 d . . . . .
H12 H 0.2506 0.4693 0.6435 0.057 Uiso 1 1 calc R U . . .
C13 C 0.2744(12) 0.5223(10) 0.7593(9) 0.056(4) Uani 1 1 d . . . . .
H13 H 0.3131 0.4616 0.7886 0.067 Uiso 1 1 calc R U . . .
C14 C 0.2541(11) 0.6083(10) 0.8058(9) 0.055(4) Uani 1 1 d . . . . .
H14 H 0.2795 0.6057 0.8656 0.066 Uiso 1 1 calc R U . . .
C15 C 0.1951(10) 0.6976(9) 0.7602(8) 0.043(3) Uani 1 1 d . . . . .
H15 H 0.1791 0.7554 0.7902 0.052 Uiso 1 1 calc R U . . .
C16 C 0.0080(7) 0.8917(7) 0.7001(6) 0.0178(19) Uani 1 1 d . U . . .
C17 C -0.0827(9) 0.8647(10) 0.7426(8) 0.047(3) Uani 1 1 d . . . . .
H17 H -0.0979 0.8078 0.7274 0.056 Uiso 1 1 calc R U . . .
C18 C -0.1522(9) 0.9226(10) 0.8085(8) 0.047(3) Uani 1 1 d . . . . .
H18 H -0.2157 0.9059 0.8346 0.056 Uiso 1 1 calc R U . . .
C19 C -0.1276(8) 1.0041(8) 0.8353(7) 0.034(3) Uani 1 1 d . . . . .
H19 H -0.1729 1.0411 0.8807 0.040 Uiso 1 1 calc R U . . .
C20 C -0.0351(9) 1.0310(8) 0.7944(7) 0.034(3) Uani 1 1 d . . . . .
H20 H -0.0184 1.0863 0.8117 0.041 Uiso 1 1 calc R U . . .
C21 C 0.0341(7) 0.9730(8) 0.7257(7) 0.028(2) Uani 1 1 d . . . . .
H21 H 0.0968 0.9901 0.6982 0.034 Uiso 1 1 calc R U . . .
Au2 Au -0.01276(3) 0.73129(3) 0.29278(2) 0.01998(12) Uani 1 1 d . . . . .
P2 P 0.14071(18) 0.64953(19) 0.21174(16) 0.0202(5) Uani 1 1 d . . . . .
C22 C 0.1279(7) 0.5392(7) 0.1663(6) 0.023(2) Uani 1 1 d . . . . .
C23 C 0.1819(13) 0.5054(10) 0.0859(8) 0.060(4) Uani 1 1 d . . . . .
H23 H 0.2299 0.5387 0.0540 0.072 Uiso 1 1 calc R U . . .
C24 C 0.1691(14) 0.4275(11) 0.0512(9) 0.069(4) Uani 1 1 d . . . . .
H24 H 0.2104 0.4055 -0.0029 0.083 Uiso 1 1 calc R U . . .
C25 C 0.0958(11) 0.3779(12) 0.0935(12) 0.069(5) Uani 1 1 d . . . . .
H25 H 0.0921 0.3194 0.0718 0.083 Uiso 1 1 calc R U . . .
C26 C 0.0329(13) 0.4139(13) 0.1633(11) 0.076(5) Uani 1 1 d . . . . .
H26 H -0.0227 0.3854 0.1884 0.091 Uiso 1 1 calc R U . . .
C27 C 0.0470(11) 0.4957(11) 0.2021(9) 0.056(3) Uani 1 1 d . U . . .
H27 H 0.0008 0.5209 0.2529 0.068 Uiso 1 1 calc R U . . .
C28 C 0.2641(7) 0.6168(8) 0.2824(6) 0.024(2) Uani 1 1 d . . . . .
C29 C 0.3417(9) 0.5285(9) 0.2820(8) 0.040(3) Uani 1 1 d . . . . .
H29 H 0.3331 0.4798 0.2470 0.048 Uiso 1 1 calc R U . . .
C30 C 0.4376(10) 0.5114(11) 0.3364(9) 0.054(4) Uani 1 1 d . . . . .
H30 H 0.4926 0.4510 0.3364 0.065 Uiso 1 1 calc R U . . .
C31 C 0.4496(9) 0.5800(11) 0.3871(8) 0.048(4) Uani 1 1 d . . . . .
H31 H 0.5135 0.5674 0.4213 0.058 Uiso 1 1 calc R U . . .
C32 C 0.3693(9) 0.6701(10) 0.3902(8) 0.048(3) Uani 1 1 d . . . . .
H32 H 0.3776 0.7183 0.4259 0.058 Uiso 1 1 calc R U . . .
C33 C 0.2765(8) 0.6854(9) 0.3382(8) 0.039(3) Uani 1 1 d . . . . .
H33 H 0.2199 0.7446 0.3411 0.047 Uiso 1 1 calc R U . . .
C34 C 0.1761(7) 0.7240(7) 0.1087(7) 0.024(2) Uani 1 1 d . . . . .
C35 C 0.0879(8) 0.7704(8) 0.0513(6) 0.027(2) Uani 1 1 d . . . . .
H35 H 0.0166 0.7626 0.0655 0.033 Uiso 1 1 calc R U . . .
C36 C 0.1092(10) 0.8299(8) -0.0294(7) 0.037(3) Uani 1 1 d . . . . .
H36 H 0.0520 0.8617 -0.0696 0.044 Uiso 1 1 calc R U . . .
C37 C 0.2166(10) 0.8402(9) -0.0481(7) 0.042(3) Uani 1 1 d . . . . .
H37 H 0.2312 0.8802 -0.1003 0.050 Uiso 1 1 calc R U . . .
C38 C 0.2987(10) 0.7931(9) 0.0087(7) 0.038(3) Uani 1 1 d . . . . .
H38 H 0.3706 0.7994 -0.0057 0.046 Uiso 1 1 calc R U . . .
C39 C 0.2800(8) 0.7352(8) 0.0886(7) 0.030(2) Uani 1 1 d . . . . .
H39 H 0.3383 0.7042 0.1280 0.035 Uiso 1 1 calc R U . . .
O1 O 0.3976(10) 0.2696(10) 0.3222(8) 0.096(4) Uani 1 1 d . . . . .
C40 C 0.3753(14) 0.2409(14) 0.2350(12) 0.085(5) Uani 1 1 d . U . . .
H40A H 0.3003 0.2776 0.2165 0.102 Uiso 1 1 calc R U . . .
H40B H 0.3812 0.1708 0.2400 0.102 Uiso 1 1 calc R U . . .
C41 C 0.4580(15) 0.2629(15) 0.1682(12) 0.101(6) Uani 1 1 d . U . . .
H41A H 0.4668 0.2231 0.1165 0.151 Uiso 1 1 calc R U . . .
H41B H 0.5284 0.2488 0.1975 0.151 Uiso 1 1 calc R U . . .
H41C H 0.4343 0.3315 0.1457 0.151 Uiso 1 1 calc R U . . .
C42 C 0.3084(17) 0.2723(17) 0.4035(14) 0.113(7) Uani 1 1 d . U . . .
H42A H 0.2365 0.3165 0.3851 0.136 Uiso 1 1 calc R U . . .
H42B H 0.2994 0.2068 0.4200 0.136 Uiso 1 1 calc R U . . .
C43 C 0.3489(18) 0.3086(18) 0.4861(14) 0.119(7) Uani 1 1 d . U . . .
H43A H 0.4258 0.2725 0.4957 0.178 Uiso 1 1 calc R U . . .
H43B H 0.3035 0.2987 0.5413 0.178 Uiso 1 1 calc R U . . .
H43C H 0.3429 0.3778 0.4736 0.178 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
C1 B6 1.664(17) . ?
C1 B5 1.689(16) . ?
C1 B2 1.702(15) . ?
C1 B3 1.706(16) . ?
C1 B4 1.710(16) . ?
C1 H1A 1.1000 . ?
B2 B3 1.750(18) . ?
B2 B7 1.758(16) . ?
B2 B11 1.777(17) . ?
B2 B6 1.781(17) . ?
B2 H2A 1.1000 . ?
B3 B8 1.736(16) . ?
B3 B7 1.755(16) . ?
B3 B4 1.760(17) . ?
B3 H3A 1.1000 . ?
B4 B8 1.718(15) . ?
B4 B9 1.773(16) . ?
B4 B5 1.791(18) . ?
B4 H4A 1.1000 . ?
B5 B9 1.758(16) . ?
B5 B6 1.774(19) . ?
B5 B10 1.774(16) . ?
B5 H5A 1.1000 . ?
B6 B10 1.770(17) . ?
B6 B11 1.783(15) . ?
B6 H6A 1.1000 . ?
B7 B8 1.769(17) . ?
B7 B12 1.772(15) . ?
B7 B11 1.772(17) . ?
B7 H7A 1.1000 . ?
B8 B9 1.790(15) . ?
B8 B12 1.803(15) . ?
B8 H8A 1.1000 . ?
B9 B12 1.784(15) . ?
B9 B10 1.832(18) . ?
B9 H9A 1.1000 . ?
B10 B12 1.797(15) . ?
B10 B11 1.807(15) . ?
B10 H10A 1.1000 . ?
B11 B12 1.777(16) . ?
B11 H11A 1.1000 . ?
B12 C2 1.532(13) . ?
C2 C3 1.243(12) . ?
C2 Au2 2.309(8) . ?
C3 Au1 2.009(9) . ?
C3 Au2 2.210(9) . ?
Au1 P1 2.264(2) . ?
Au1 Au2 3.2219(5) . ?
P1 C4 1.799(9) . ?
P1 C16 1.814(8) . ?
P1 C10 1.824(11) . ?
C4 C5 1.386(13) . ?
C4 C9 1.386(13) . ?
C5 C6 1.368(15) . ?
C5 H5 0.9300 . ?
C6 C7 1.332(17) . ?
C6 H6 0.9300 . ?
C7 C8 1.369(17) . ?
C7 H7 0.9300 . ?
C8 C9 1.383(14) . ?
C8 H8 0.9300 . ?
C9 H9 0.9300 . ?
C10 C11 1.351(15) . ?
C10 C15 1.398(14) . ?
C11 C12 1.348(17) . ?
C11 H11 0.9300 . ?
C12 C13 1.332(17) . ?
C12 H12 0.9300 . ?
C13 C14 1.402(18) . ?
C13 H13 0.9300 . ?
C14 C15 1.392(16) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 C17 1.374(14) . ?
C16 C21 1.377(14) . ?
C17 C18 1.396(14) . ?
C17 H17 0.9300 . ?
C18 C19 1.376(16) . ?
C18 H18 0.9300 . ?
C19 C20 1.384(14) . ?
C19 H19 0.9300 . ?
C20 C21 1.423(14) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
Au2 P2 2.241(2) . ?
P2 C22 1.809(10) . ?
P2 C28 1.824(9) . ?
P2 C34 1.827(10) . ?
C22 C23 1.352(14) . ?
C22 C27 1.367(15) . ?
C23 C24 1.313(18) . ?
C23 H23 0.9300 . ?
C24 C25 1.375(19) . ?
C24 H24 0.9300 . ?
C25 C26 1.280(19) . ?
C25 H25 0.9300 . ?
C26 C27 1.399(19) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 C29 1.344(15) . ?
C28 C33 1.373(14) . ?
C29 C30 1.424(15) . ?
C29 H29 0.9300 . ?
C30 C31 1.322(19) . ?
C30 H30 0.9300 . ?
C31 C32 1.379(18) . ?
C31 H31 0.9300 . ?
C32 C33 1.374(14) . ?
C32 H32 0.9300 . ?
C33 H33 0.9300 . ?
C34 C39 1.354(12) . ?
C34 C35 1.387(13) . ?
C35 C36 1.414(14) . ?
C35 H35 0.9300 . ?
C36 C37 1.389(16) . ?
C36 H36 0.9300 . ?
C37 C38 1.332(16) . ?
C37 H37 0.9300 . ?
C38 C39 1.383(14) . ?
C38 H38 0.9300 . ?
C39 H39 0.9300 . ?
O1 C40 1.426(19) . ?
O1 C42 1.54(2) . ?
C40 C41 1.43(2) . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 C43 1.52(2) . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 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
B6 C1 B5 63.9(8) . . ?
B6 C1 B2 63.9(7) . . ?
B5 C1 B2 116.5(8) . . ?
B6 C1 B3 115.3(8) . . ?
B5 C1 B3 115.1(8) . . ?
B2 C1 B3 61.8(7) . . ?
B6 C1 B4 116.5(9) . . ?
B5 C1 B4 63.6(7) . . ?
B2 C1 B4 114.2(8) . . ?
B3 C1 B4 62.0(7) . . ?
B6 C1 H1A 116.1 . . ?
B5 C1 H1A 116.4 . . ?
B2 C1 H1A 117.5 . . ?
B3 C1 H1A 118.5 . . ?
B4 C1 H1A 117.5 . . ?
C1 B2 B3 59.2(7) . . ?
C1 B2 B7 104.2(9) . . ?
B3 B2 B7 60.1(7) . . ?
C1 B2 B11 103.7(8) . . ?
B3 B2 B11 108.5(9) . . ?
B7 B2 B11 60.2(6) . . ?
C1 B2 B6 57.0(7) . . ?
B3 B2 B6 107.5(9) . . ?
B7 B2 B6 107.6(8) . . ?
B11 B2 B6 60.1(6) . . ?
C1 B2 H2A 125.7 . . ?
B3 B2 H2A 121.0 . . ?
B7 B2 H2A 122.4 . . ?
B11 B2 H2A 122.2 . . ?
B6 B2 H2A 122.2 . . ?
C1 B3 B8 103.8(8) . . ?
C1 B3 B2 59.0(7) . . ?
B8 B3 B2 109.3(8) . . ?
C1 B3 B7 104.1(8) . . ?
B8 B3 B7 60.9(7) . . ?
B2 B3 B7 60.2(7) . . ?
C1 B3 B4 59.1(7) . . ?
B8 B3 B4 58.9(6) . . ?
B2 B3 B4 109.4(8) . . ?
B7 B3 B4 108.0(8) . . ?
C1 B3 H3A 125.3 . . ?
B8 B3 H3A 122.5 . . ?
B2 B3 H3A 120.3 . . ?
B7 B3 H3A 122.4 . . ?
B4 B3 H3A 121.3 . . ?
C1 B4 B8 104.4(8) . . ?
C1 B4 B3 58.9(7) . . ?
B8 B4 B3 59.9(6) . . ?
C1 B4 B9 103.6(8) . . ?
B8 B4 B9 61.7(6) . . ?
B3 B4 B9 109.1(8) . . ?
C1 B4 B5 57.6(7) . . ?
B8 B4 B5 108.2(8) . . ?
B3 B4 B5 107.5(9) . . ?
B9 B4 B5 59.1(6) . . ?
C1 B4 H4A 125.7 . . ?
B8 B4 H4A 121.7 . . ?
B3 B4 H4A 121.1 . . ?
B9 B4 H4A 122.0 . . ?
B5 B4 H4A 122.3 . . ?
C1 B5 B9 105.1(8) . . ?
C1 B5 B6 57.4(7) . . ?
B9 B5 B6 109.2(8) . . ?
C1 B5 B10 104.6(8) . . ?
B9 B5 B10 62.5(7) . . ?
B6 B5 B10 59.9(7) . . ?
C1 B5 B4 58.8(7) . . ?
B9 B5 B4 59.9(7) . . ?
B6 B5 B4 107.2(8) . . ?
B10 B5 B4 109.7(8) . . ?
C1 B5 H5A 125.5 . . ?
B9 B5 H5A 121.0 . . ?
B6 B5 H5A 122.1 . . ?
B10 B5 H5A 121.1 . . ?
B4 B5 H5A 121.3 . . ?
C1 B6 B10 105.8(9) . . ?
C1 B6 B5 58.7(7) . . ?
B10 B6 B5 60.1(7) . . ?
C1 B6 B2 59.1(7) . . ?
B10 B6 B2 109.5(8) . . ?
B5 B6 B2 108.4(9) . . ?
C1 B6 B11 105.0(9) . . ?
B10 B6 B11 61.2(6) . . ?
B5 B6 B11 108.3(9) . . ?
B2 B6 B11 59.8(6) . . ?
C1 B6 H6A 124.4 . . ?
B10 B6 H6A 121.2 . . ?
B5 B6 H6A 121.6 . . ?
B2 B6 H6A 121.0 . . ?
B11 B6 H6A 122.1 . . ?
B3 B7 B2 59.8(7) . . ?
B3 B7 B8 59.0(7) . . ?
B2 B7 B8 107.5(8) . . ?
B3 B7 B12 108.1(8) . . ?
B2 B7 B12 108.1(8) . . ?
B8 B7 B12 61.2(6) . . ?
B3 B7 B11 108.5(8) . . ?
B2 B7 B11 60.4(7) . . ?
B8 B7 B11 109.3(8) . . ?
B12 B7 B11 60.2(6) . . ?
B3 B7 H7A 122.1 . . ?
B2 B7 H7A 122.0 . . ?
B8 B7 H7A 121.5 . . ?
B12 B7 H7A 121.3 . . ?
B11 B7 H7A 120.9 . . ?
B4 B8 B3 61.3(7) . . ?
B4 B8 B7 109.3(8) . . ?
B3 B8 B7 60.1(7) . . ?
B4 B8 B9 60.7(6) . . ?
B3 B8 B9 109.4(8) . . ?
B7 B8 B9 108.2(8) . . ?
B4 B8 B12 108.1(8) . . ?
B3 B8 B12 107.6(8) . . ?
B7 B8 B12 59.5(6) . . ?
B9 B8 B12 59.5(6) . . ?
B4 B8 H8A 120.7 . . ?
B3 B8 H8A 121.1 . . ?
B7 B8 H8A 121.5 . . ?
B9 B8 H8A 121.3 . . ?
B12 B8 H8A 122.6 . . ?
B5 B9 B4 61.0(7) . . ?
B5 B9 B12 106.4(8) . . ?
B4 B9 B12 106.5(8) . . ?
B5 B9 B8 106.5(8) . . ?
B4 B9 B8 57.6(6) . . ?
B12 B9 B8 60.6(6) . . ?
B5 B9 B10 59.2(6) . . ?
B4 B9 B10 107.9(8) . . ?
B12 B9 B10 59.6(6) . . ?
B8 B9 B10 107.8(8) . . ?
B5 B9 H9A 122.4 . . ?
B4 B9 H9A 122.3 . . ?
B12 B9 H9A 122.4 . . ?
B8 B9 H9A 122.6 . . ?
B10 B9 H9A 121.7 . . ?
B6 B10 B5 60.1(7) . . ?
B6 B10 B12 105.9(8) . . ?
B5 B10 B12 105.2(8) . . ?
B6 B10 B11 59.8(6) . . ?
B5 B10 B11 107.2(8) . . ?
B12 B10 B11 59.1(6) . . ?
B6 B10 B9 106.1(9) . . ?
B5 B10 B9 58.3(7) . . ?
B12 B10 B9 58.9(6) . . ?
B11 B10 B9 106.3(8) . . ?
B6 B10 H10A 122.4 . . ?
B5 B10 H10A 122.8 . . ?
B12 B10 H10A 123.5 . . ?
B11 B10 H10A 122.1 . . ?
B9 B10 H10A 123.2 . . ?
B7 B11 B2 59.4(6) . . ?
B7 B11 B12 59.9(6) . . ?
B2 B11 B12 107.1(9) . . ?
B7 B11 B6 106.9(9) . . ?
B2 B11 B6 60.1(7) . . ?
B12 B11 B6 106.2(8) . . ?
B7 B11 B10 108.4(9) . . ?
B2 B11 B10 108.0(8) . . ?
B12 B11 B10 60.2(6) . . ?
B6 B11 B10 59.1(6) . . ?
B7 B11 H11A 121.9 . . ?
B2 B11 H11A 121.9 . . ?
B12 B11 H11A 122.4 . . ?
B6 B11 H11A 122.9 . . ?
B10 B11 H11A 121.4 . . ?
C2 B12 B7 120.3(7) . . ?
C2 B12 B11 120.9(9) . . ?
B7 B12 B11 59.9(7) . . ?
C2 B12 B9 121.9(8) . . ?
B7 B12 B9 108.3(8) . . ?
B11 B12 B9 109.8(7) . . ?
C2 B12 B10 121.9(8) . . ?
B7 B12 B10 108.8(8) . . ?
B11 B12 B10 60.8(6) . . ?
B9 B12 B10 61.6(6) . . ?
C2 B12 B8 121.6(8) . . ?
B7 B12 B8 59.3(6) . . ?
B11 B12 B8 107.6(8) . . ?
B9 B12 B8 59.9(6) . . ?
B10 B12 B8 108.8(7) . . ?
C3 C2 B12 174.0(10) . . ?
C3 C2 Au2 69.7(5) . . ?
B12 C2 Au2 115.2(6) . . ?
C2 C3 Au1 175.5(8) . . ?
C2 C3 Au2 78.5(6) . . ?
Au1 C3 Au2 99.5(3) . . ?
C3 Au1 P1 175.7(3) . . ?
C3 Au1 Au2 42.6(2) . . ?
P1 Au1 Au2 138.49(6) . . ?
C4 P1 C16 106.7(4) . . ?
C4 P1 C10 106.0(4) . . ?
C16 P1 C10 104.3(4) . . ?
C4 P1 Au1 112.8(3) . . ?
C16 P1 Au1 110.3(3) . . ?
C10 P1 Au1 116.0(3) . . ?
C5 C4 C9 116.7(9) . . ?
C5 C4 P1 120.3(7) . . ?
C9 C4 P1 123.0(8) . . ?
C6 C5 C4 121.2(10) . . ?
C6 C5 H5 119.4 . . ?
C4 C5 H5 119.4 . . ?
C7 C6 C5 120.0(11) . . ?
C7 C6 H6 120.0 . . ?
C5 C6 H6 120.0 . . ?
C6 C7 C8 122.4(10) . . ?
C6 C7 H7 118.8 . . ?
C8 C7 H7 118.8 . . ?
C7 C8 C9 117.2(10) . . ?
C7 C8 H8 121.4 . . ?
C9 C8 H8 121.4 . . ?
C8 C9 C4 122.4(10) . . ?
C8 C9 H9 118.8 . . ?
C4 C9 H9 118.8 . . ?
C11 C10 C15 117.2(11) . . ?
C11 C10 P1 122.3(8) . . ?
C15 C10 P1 120.5(8) . . ?
C12 C11 C10 123.6(12) . . ?
C12 C11 H11 118.2 . . ?
C10 C11 H11 118.2 . . ?
C13 C12 C11 120.0(13) . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C12 C13 C14 120.5(13) . . ?
C12 C13 H13 119.8 . . ?
C14 C13 H13 119.8 . . ?
C15 C14 C13 118.2(12) . . ?
C15 C14 H14 120.9 . . ?
C13 C14 H14 120.9 . . ?
C14 C15 C10 120.4(12) . . ?
C14 C15 H15 119.8 . . ?
C10 C15 H15 119.8 . . ?
C17 C16 C21 120.1(8) . . ?
C17 C16 P1 117.2(7) . . ?
C21 C16 P1 122.6(7) . . ?
C16 C17 C18 120.2(11) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C19 C18 C17 120.6(10) . . ?
C19 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
C18 C19 C20 119.8(9) . . ?
C18 C19 H19 120.1 . . ?
C20 C19 H19 120.1 . . ?
C19 C20 C21 119.4(10) . . ?
C19 C20 H20 120.3 . . ?
C21 C20 H20 120.3 . . ?
C16 C21 C20 119.8(9) . . ?
C16 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C3 Au2 P2 166.4(2) . . ?
C3 Au2 C2 31.8(3) . . ?
P2 Au2 C2 161.4(2) . . ?
C3 Au2 Au1 37.9(2) . . ?
P2 Au2 Au1 128.51(6) . . ?
C2 Au2 Au1 69.7(2) . . ?
C22 P2 C28 109.0(5) . . ?
C22 P2 C34 104.6(4) . . ?
C28 P2 C34 105.0(4) . . ?
C22 P2 Au2 114.1(3) . . ?
C28 P2 Au2 111.1(3) . . ?
C34 P2 Au2 112.6(3) . . ?
C23 C22 C27 115.4(11) . . ?
C23 C22 P2 122.6(8) . . ?
C27 C22 P2 120.9(8) . . ?
C24 C23 C22 122.5(12) . . ?
C24 C23 H23 118.7 . . ?
C22 C23 H23 118.7 . . ?
C23 C24 C25 121.2(13) . . ?
C23 C24 H24 119.4 . . ?
C25 C24 H24 119.4 . . ?
C26 C25 C24 118.6(14) . . ?
C26 C25 H25 120.7 . . ?
C24 C25 H25 120.7 . . ?
C25 C26 C27 120.6(13) . . ?
C25 C26 H26 119.7 . . ?
C27 C26 H26 119.7 . . ?
C22 C27 C26 120.9(12) . . ?
C22 C27 H27 119.6 . . ?
C26 C27 H27 119.6 . . ?
C29 C28 C33 119.5(9) . . ?
C29 C28 P2 122.5(8) . . ?
C33 C28 P2 118.0(8) . . ?
C28 C29 C30 118.3(11) . . ?
C28 C29 H29 120.8 . . ?
C30 C29 H29 120.8 . . ?
C31 C30 C29 121.0(12) . . ?
C31 C30 H30 119.5 . . ?
C29 C30 H30 119.5 . . ?
C30 C31 C32 121.4(10) . . ?
C30 C31 H31 119.3 . . ?
C32 C31 H31 119.3 . . ?
C33 C32 C31 117.2(12) . . ?
C33 C32 H32 121.4 . . ?
C31 C32 H32 121.4 . . ?
C28 C33 C32 122.5(11) . . ?
C28 C33 H33 118.7 . . ?
C32 C33 H33 118.7 . . ?
C39 C34 C35 121.2(9) . . ?
C39 C34 P2 123.5(8) . . ?
C35 C34 P2 115.3(7) . . ?
C34 C35 C36 118.3(9) . . ?
C34 C35 H35 120.9 . . ?
C36 C35 H35 120.9 . . ?
C37 C36 C35 119.2(10) . . ?
C37 C36 H36 120.4 . . ?
C35 C36 H36 120.4 . . ?
C38 C37 C36 120.1(10) . . ?
C38 C37 H37 119.9 . . ?
C36 C37 H37 119.9 . . ?
C37 C38 C39 121.9(10) . . ?
C37 C38 H38 119.1 . . ?
C39 C38 H38 119.1 . . ?
C34 C39 C38 119.3(10) . . ?
C34 C39 H39 120.4 . . ?
C38 C39 H39 120.4 . . ?
C40 O1 C42 117.5(14) . . ?
O1 C40 C41 106.1(15) . . ?
O1 C40 H40A 110.5 . . ?
C41 C40 H40A 110.5 . . ?
O1 C40 H40B 110.5 . . ?
C41 C40 H40B 110.5 . . ?
H40A C40 H40B 108.7 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C43 C42 O1 107.4(16) . . ?
C43 C42 H42A 110.2 . . ?
O1 C42 H42A 110.2 . . ?
C43 C42 H42B 110.2 . . ?
O1 C42 H42B 110.2 . . ?
H42A C42 H42B 108.5 . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?

_refine_diff_density_max         3.380
_refine_diff_density_min         -1.627
_refine_diff_density_rms         0.233

