# 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_ATP011
_database_code_depnum_ccdc_archive 'CCDC 1907628'
loop_
_audit_author_name
_audit_author_address
'Sonia Mallet-Ladeira'
;Institut de Chimie de Toulouse Universite de Toulouse CNRS
France
;
_audit_update_record             
;
2019-04-03 deposited with the CCDC.	2019-06-13 downloaded from the CCDC.
;

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C36 H48 Au N P, F6 Sb'
_chemical_formula_sum            'C36 H48 Au F6 N P Sb'
_chemical_formula_weight         958.45
_chemical_absolute_configuration ad

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_Int_Tables_number      19
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   10.790(2)
_cell_length_b                   15.825(3)
_cell_length_c                   20.681(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3531.3(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9414
_cell_measurement_theta_min      3.02
_cell_measurement_theta_max      34.81

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.12
_exptl_crystal_density_diffrn    1.803
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1880
_exptl_special_details           
;
 ?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    5.018
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_absorpt_correction_T_min  0.6253
_exptl_absorpt_correction_T_max  0.7470

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine focus sealed tube'
_diffrn_radiation_monochromator  triumph
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_av_R_equivalents  0.0499
_diffrn_reflns_av_unetI/netI     0.0249
_diffrn_reflns_number            146437
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         3.017
_diffrn_reflns_theta_max         30.994
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_reflns_Friedel_fraction_full    1
_reflns_Friedel_fraction_max     1
_reflns_Friedel_coverage         0.816
_reflns_number_total             11242
_reflns_number_gt                10436
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       APEX2
_computing_cell_refinement       'APEX2 and SAINT'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2015)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'


#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_hydrogens   mixed

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0317P)²+3.5762P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_number_reflns         11242
_refine_ls_number_parameters     428
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0328
_refine_ls_R_factor_gt           0.0274
_refine_ls_wR_factor_ref         0.0621
_refine_ls_wR_factor_gt          0.0602
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_restrained_S_all      1.054
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_abs_structure_details 
;
 Flack x determined using 4342 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.0074(14)
_refine_diff_density_max         2.249
_refine_diff_density_min         -1.01
_refine_diff_density_rms         0.112

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 '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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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 0.7476(4) 0.4507(3) 0.6472(2) 0.0214(8) Uani 1 1 d . . . . .
C2 C 0.8705(5) 0.4739(4) 0.6334(3) 0.0290(11) Uani 1 1 d . . . . .
H2 H 0.901545 0.526533 0.648445 0.035 Uiso 1 1 calc R U . . .
C3 C 0.9465(6) 0.4209(4) 0.5980(3) 0.0393(13) Uani 1 1 d . . . . .
H3 H 1.029164 0.437175 0.588419 0.047 Uiso 1 1 calc R U . . .
C4 C 0.9015(6) 0.3441(4) 0.5768(3) 0.0437(15) Uani 1 1 d . . . . .
H4 H 0.954168 0.306845 0.553536 0.052 Uiso 1 1 calc R U . . .
C5 C 0.7802(6) 0.3211(4) 0.5893(3) 0.0356(13) Uani 1 1 d . . . . .
H5 H 0.74992 0.268358 0.574046 0.043 Uiso 1 1 calc R U . . .
C6 C 0.7017(5) 0.3746(3) 0.6240(2) 0.0229(9) Uani 1 1 d . . . . .
C7 C 0.5693(6) 0.2735(3) 0.6773(3) 0.0348(13) Uani 1 1 d . . . . .
H7A H 0.610541 0.225983 0.655817 0.052 Uiso 1 1 calc R U . . .
H7B H 0.482931 0.258411 0.686467 0.052 Uiso 1 1 calc R U . . .
H7C H 0.612116 0.286269 0.717942 0.052 Uiso 1 1 calc R U . . .
C8 C 0.5092(6) 0.3314(4) 0.5731(3) 0.0386(14) Uani 1 1 d . . . . .
H8A H 0.516651 0.380684 0.544621 0.058 Uiso 1 1 calc R U . . .
H8B H 0.421389 0.319864 0.581387 0.058 Uiso 1 1 calc R U . . .
H8C H 0.547182 0.282221 0.552219 0.058 Uiso 1 1 calc R U . . .
C9 C 0.7130(4) 0.5271(3) 0.7773(2) 0.0177(8) Uani 1 1 d . . . . .
C10 C 0.7026(5) 0.4371(3) 0.8064(3) 0.0286(10) Uani 1 1 d . . . . .
H10A H 0.615287 0.417987 0.804544 0.034 Uiso 1 1 calc R U . . .
H10B H 0.753343 0.397367 0.780628 0.034 Uiso 1 1 calc R U . . .
C11 C 0.7476(6) 0.4370(4) 0.8772(3) 0.0340(12) Uani 1 1 d . . . . .
H11 H 0.739856 0.378696 0.895474 0.041 Uiso 1 1 calc R U . . .
C12 C 0.6333(5) 0.5874(4) 0.8183(2) 0.0302(11) Uani 1 1 d . . . . .
H12A H 0.545474 0.569523 0.81628 0.036 Uiso 1 1 calc R U . . .
H12B H 0.639296 0.645381 0.80066 0.036 Uiso 1 1 calc R U . . .
C13 C 0.8930(5) 0.5551(4) 0.8524(3) 0.0351(13) Uani 1 1 d . . . . .
H13 H 0.981284 0.574156 0.854662 0.042 Uiso 1 1 calc R U . . .
C14 C 0.8128(7) 0.6151(4) 0.8919(3) 0.0458(17) Uani 1 1 d . . . . .
H14A H 0.820151 0.673145 0.874413 0.055 Uiso 1 1 calc R U . . .
H14B H 0.841611 0.615756 0.937335 0.055 Uiso 1 1 calc R U . . .
C15 C 0.6778(6) 0.5868(5) 0.8893(3) 0.0401(15) Uani 1 1 d . . . . .
H15 H 0.62555 0.626219 0.915442 0.048 Uiso 1 1 calc R U . . .
C16 C 0.8512(5) 0.5543(4) 0.7816(2) 0.0289(10) Uani 1 1 d . . . . .
H16A H 0.903139 0.514339 0.756643 0.035 Uiso 1 1 calc R U . . .
H16B H 0.861516 0.611309 0.762683 0.035 Uiso 1 1 calc R U . . .
C17 C 0.6671(7) 0.4980(5) 0.9164(3) 0.0462(17) Uani 1 1 d . . . . .
H17A H 0.579599 0.47938 0.914844 0.055 Uiso 1 1 calc R U . . .
H17B H 0.694214 0.497683 0.962149 0.055 Uiso 1 1 calc R U . . .
C18 C 0.8831(6) 0.4653(4) 0.8801(3) 0.0377(14) Uani 1 1 d . . . . .
H18A H 0.935391 0.426093 0.854655 0.045 Uiso 1 1 calc R U . . .
H18B H 0.912487 0.464599 0.925457 0.045 Uiso 1 1 calc R U . . .
C19 C 0.6384(4) 0.6248(3) 0.6501(2) 0.0177(8) Uani 1 1 d . . . . .
C20 C 0.4939(7) 0.7290(4) 0.5574(3) 0.0461(17) Uani 1 1 d . . . . .
H20A H 0.480526 0.78147 0.532318 0.055 Uiso 1 1 calc R U . . .
H20B H 0.42518 0.689562 0.547652 0.055 Uiso 1 1 calc R U . . .
C21 C 0.7216(6) 0.7714(4) 0.6261(3) 0.0387(14) Uani 1 1 d . . . . .
H21 H 0.78969 0.81234 0.635667 0.046 Uiso 1 1 calc R U . . .
C22 C 0.7227(8) 0.7490(5) 0.5539(4) 0.058(2) Uani 1 1 d . . . . .
H22A H 0.714446 0.801207 0.527898 0.069 Uiso 1 1 calc R U . . .
H22B H 0.802526 0.721928 0.542667 0.069 Uiso 1 1 calc R U . . .
C23 C 0.6165(9) 0.6892(4) 0.5383(3) 0.052(2) Uani 1 1 d . . . . .
H23 H 0.616179 0.676758 0.490843 0.063 Uiso 1 1 calc R U . . .
C24 C 0.7424(5) 0.6885(3) 0.6650(3) 0.0316(11) Uani 1 1 d . . . . .
H24A H 0.823595 0.663673 0.653303 0.038 Uiso 1 1 calc R U . . .
H24B H 0.743237 0.701245 0.711846 0.038 Uiso 1 1 calc R U . . .
C25 C 0.4948(6) 0.7491(4) 0.6289(3) 0.0323(12) Uani 1 1 d . . . . .
H25 H 0.4138 0.775265 0.641245 0.039 Uiso 1 1 calc R U . . .
C26 C 0.5131(5) 0.6671(3) 0.6670(3) 0.0280(11) Uani 1 1 d . . . . .
H26A H 0.444614 0.627564 0.656969 0.034 Uiso 1 1 calc R U . . .
H26B H 0.510496 0.679542 0.713854 0.034 Uiso 1 1 calc R U . . .
C27 C 0.6356(7) 0.6058(4) 0.5767(3) 0.0412(16) Uani 1 1 d . . . . .
H27A H 0.567168 0.566078 0.566948 0.049 Uiso 1 1 calc R U . . .
H27B H 0.714449 0.57893 0.563429 0.049 Uiso 1 1 calc R U . . .
C28 C 0.5985(6) 0.8097(4) 0.6441(3) 0.0342(12) Uani 1 1 d . . . . .
H28A H 0.58619 0.862958 0.619789 0.041 Uiso 1 1 calc R U . . .
H28B H 0.597821 0.823213 0.690835 0.041 Uiso 1 1 calc R U . . .
C29 C 0.2688(5) 0.4055(4) 0.6961(3) 0.0345(12) Uani 1 1 d . . . . .
H29A H 0.223(6) 0.401(4) 0.651(3) 0.032(17) Uiso 1 1 d . . . . .
H29B H 0.267(9) 0.342(6) 0.715(5) 0.08(3) Uiso 1 1 d . . . . .
C30 C 0.2697(5) 0.4804(4) 0.7310(3) 0.0283(11) Uani 1 1 d . . . . .
H30 H 0.280(6) 0.473(4) 0.774(3) 0.034 Uiso 1 1 d . U . . .
C31 C 0.2163(5) 0.5614(4) 0.7105(3) 0.0289(11) Uani 1 1 d . . . . .
C32 C 0.1886(6) 0.6232(4) 0.7572(3) 0.0391(14) Uani 1 1 d . . . . .
H32 H 0.208712 0.613418 0.801264 0.047 Uiso 1 1 calc R U . . .
C33 C 0.1316(7) 0.6987(5) 0.7391(4) 0.0503(17) Uani 1 1 d . . . . .
H33 H 0.11166 0.739693 0.771027 0.06 Uiso 1 1 calc R U . . .
C34 C 0.1043(7) 0.7140(4) 0.6754(4) 0.0480(18) Uani 1 1 d . . . . .
H34 H 0.065295 0.765512 0.663376 0.058 Uiso 1 1 calc R U . . .
C35 C 0.1333(6) 0.6551(5) 0.6286(3) 0.0434(15) Uani 1 1 d . . . . .
H35 H 0.114339 0.66613 0.584574 0.052 Uiso 1 1 calc R U . . .
C36 C 0.1897(6) 0.5802(4) 0.6458(3) 0.0356(13) Uani 1 1 d . . . . .
H36 H 0.211001 0.540617 0.613063 0.043 Uiso 1 1 calc R U . . .
Au1 Au 0.45506(2) 0.45217(2) 0.69127(2) 0.02065(4) Uani 1 1 d . . . . .
F1 F 0.3693(3) 0.3741(2) 0.43638(17) 0.0379(8) Uani 1 1 d . . . . .
F2 F 0.2099(4) 0.3849(3) 0.5314(2) 0.0650(14) Uani 1 1 d . . . . .
F3 F 0.1330(4) 0.5333(2) 0.48922(17) 0.0422(9) Uani 1 1 d . . . . .
F4 F 0.2961(5) 0.5235(3) 0.3926(2) 0.0664(15) Uani 1 1 d . . . . .
F5 F 0.3699(5) 0.5074(3) 0.5141(2) 0.0664(14) Uani 1 1 d . . . . .
F6 F 0.1351(4) 0.4013(4) 0.4099(3) 0.0757(16) Uani 1 1 d . . . . .
N1 N 0.5727(4) 0.3487(3) 0.6346(2) 0.0221(8) Uani 1 1 d . . . . .
P1 P 0.64616(10) 0.52153(7) 0.69389(6) 0.01536(19) Uani 1 1 d . . . . .
Sb1 Sb 0.25179(3) 0.45482(2) 0.46204(2) 0.02497(7) Uani 1 1 d . . . . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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 C6 1.387(7) . ?
C1 C2 1.405(7) . ?
C1 P1 1.840(5) . ?
C2 C3 1.383(8) . ?
C2 H2 0.95 . ?
C3 C4 1.380(9) . ?
C3 H3 0.95 . ?
C4 C5 1.383(9) . ?
C4 H4 0.95 . ?
C5 C6 1.397(7) . ?
C5 H5 0.95 . ?
C6 N1 1.468(6) . ?
C7 N1 1.483(6) . ?
C7 H7A 0.98 . ?
C7 H7B 0.98 . ?
C7 H7C 0.98 . ?
C8 N1 1.470(7) . ?
C8 H8A 0.98 . ?
C8 H8B 0.98 . ?
C8 H8C 0.98 . ?
C9 C12 1.537(7) . ?
C9 C10 1.550(6) . ?
C9 C16 1.554(7) . ?
C9 P1 1.873(5) . ?
C10 C11 1.543(7) . ?
C10 H10A 0.99 . ?
C10 H10B 0.99 . ?
C11 C18 1.530(8) . ?
C11 C17 1.531(10) . ?
C11 H11 1 . ?
C12 C15 1.545(7) . ?
C12 H12A 0.99 . ?
C12 H12B 0.99 . ?
C13 C14 1.523(10) . ?
C13 C16 1.532(7) . ?
C13 C18 1.537(9) . ?
C13 H13 1 . ?
C14 C15 1.525(10) . ?
C14 H14A 0.99 . ?
C14 H14B 0.99 . ?
C15 C17 1.517(10) . ?
C15 H15 1 . ?
C16 H16A 0.99 . ?
C16 H16B 0.99 . ?
C17 H17A 0.99 . ?
C17 H17B 0.99 . ?
C18 H18A 0.99 . ?
C18 H18B 0.99 . ?
C19 C24 1.539(7) . ?
C19 C27 1.548(7) . ?
C19 C26 1.549(7) . ?
C19 P1 1.871(4) . ?
C20 C25 1.511(9) . ?
C20 C23 1.519(11) . ?
C20 H20A 0.99 . ?
C20 H20B 0.99 . ?
C21 C28 1.507(9) . ?
C21 C22 1.533(11) . ?
C21 C24 1.555(8) . ?
C21 H21 1 . ?
C22 C23 1.521(12) . ?
C22 H22A 0.99 . ?
C22 H22B 0.99 . ?
C23 C27 1.554(8) . ?
C23 H23 1 . ?
C24 H24A 0.99 . ?
C24 H24B 0.99 . ?
C25 C28 1.508(9) . ?
C25 C26 1.531(8) . ?
C25 H25 1 . ?
C26 H26A 0.99 . ?
C26 H26B 0.99 . ?
C27 H27A 0.99 . ?
C27 H27B 0.99 . ?
C28 H28A 0.99 . ?
C28 H28B 0.99 . ?
C29 C30 1.387(8) . ?
C29 Au1 2.143(5) . ?
C29 H29A 1.05(7) . ?
C29 H29B 1.08(9) . ?
C30 C31 1.469(8) . ?
C30 Au1 2.208(5) . ?
C30 H30 0.90(7) . ?
C31 C36 1.401(8) . ?
C31 C32 1.406(8) . ?
C32 C33 1.395(10) . ?
C32 H32 0.95 . ?
C33 C34 1.372(11) . ?
C33 H33 0.95 . ?
C34 C35 1.379(10) . ?
C34 H34 0.95 . ?
C35 C36 1.379(9) . ?
C35 H35 0.95 . ?
C36 H36 0.95 . ?
Au1 P1 2.3365(11) . ?
Au1 N1 2.381(4) . ?
F1 Sb1 1.877(3) . ?
F2 Sb1 1.866(4) . ?
F3 Sb1 1.871(3) . ?
F4 Sb1 1.863(4) . ?
F5 Sb1 1.864(4) . ?
F6 Sb1 1.861(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C6 C1 C2 119.6(5) . . ?
C6 C1 P1 119.8(3) . . ?
C2 C1 P1 120.5(4) . . ?
C3 C2 C1 120.5(5) . . ?
C3 C2 H2 119.7 . . ?
C1 C2 H2 119.7 . . ?
C4 C3 C2 119.6(6) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C5 120.4(5) . . ?
C3 C4 H4 119.8 . . ?
C5 C4 H4 119.8 . . ?
C4 C5 C6 120.7(6) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 H5 119.7 . . ?
C1 C6 C5 119.2(5) . . ?
C1 C6 N1 122.1(4) . . ?
C5 C6 N1 118.8(5) . . ?
N1 C7 H7A 109.5 . . ?
N1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
N1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C12 C9 C10 108.4(4) . . ?
C12 C9 C16 109.5(4) . . ?
C10 C9 C16 107.6(4) . . ?
C12 C9 P1 108.8(3) . . ?
C10 C9 P1 106.6(3) . . ?
C16 C9 P1 115.8(3) . . ?
C11 C10 C9 110.3(4) . . ?
C11 C10 H10A 109.6 . . ?
C9 C10 H10A 109.6 . . ?
C11 C10 H10B 109.6 . . ?
C9 C10 H10B 109.6 . . ?
H10A C10 H10B 108.1 . . ?
C18 C11 C17 109.6(5) . . ?
C18 C11 C10 109.7(5) . . ?
C17 C11 C10 108.9(5) . . ?
C18 C11 H11 109.5 . . ?
C17 C11 H11 109.5 . . ?
C10 C11 H11 109.5 . . ?
C9 C12 C15 110.3(4) . . ?
C9 C12 H12A 109.6 . . ?
C15 C12 H12A 109.6 . . ?
C9 C12 H12B 109.6 . . ?
C15 C12 H12B 109.6 . . ?
H12A C12 H12B 108.1 . . ?
C14 C13 C16 110.5(5) . . ?
C14 C13 C18 109.7(5) . . ?
C16 C13 C18 109.2(5) . . ?
C14 C13 H13 109.2 . . ?
C16 C13 H13 109.2 . . ?
C18 C13 H13 109.2 . . ?
C13 C14 C15 109.9(5) . . ?
C13 C14 H14A 109.7 . . ?
C15 C14 H14A 109.7 . . ?
C13 C14 H14B 109.7 . . ?
C15 C14 H14B 109.7 . . ?
H14A C14 H14B 108.2 . . ?
C17 C15 C14 109.4(5) . . ?
C17 C15 C12 109.5(5) . . ?
C14 C15 C12 109.2(5) . . ?
C17 C15 H15 109.6 . . ?
C14 C15 H15 109.6 . . ?
C12 C15 H15 109.6 . . ?
C13 C16 C9 109.8(4) . . ?
C13 C16 H16A 109.7 . . ?
C9 C16 H16A 109.7 . . ?
C13 C16 H16B 109.7 . . ?
C9 C16 H16B 109.7 . . ?
H16A C16 H16B 108.2 . . ?
C15 C17 C11 110.2(5) . . ?
C15 C17 H17A 109.6 . . ?
C11 C17 H17A 109.6 . . ?
C15 C17 H17B 109.6 . . ?
C11 C17 H17B 109.6 . . ?
H17A C17 H17B 108.1 . . ?
C11 C18 C13 108.8(4) . . ?
C11 C18 H18A 109.9 . . ?
C13 C18 H18A 109.9 . . ?
C11 C18 H18B 109.9 . . ?
C13 C18 H18B 109.9 . . ?
H18A C18 H18B 108.3 . . ?
C24 C19 C27 109.8(5) . . ?
C24 C19 C26 108.0(4) . . ?
C27 C19 C26 106.7(4) . . ?
C24 C19 P1 116.3(3) . . ?
C27 C19 P1 107.8(3) . . ?
C26 C19 P1 107.9(3) . . ?
C25 C20 C23 109.7(5) . . ?
C25 C20 H20A 109.7 . . ?
C23 C20 H20A 109.7 . . ?
C25 C20 H20B 109.7 . . ?
C23 C20 H20B 109.7 . . ?
H20A C20 H20B 108.2 . . ?
C28 C21 C22 109.9(6) . . ?
C28 C21 C24 109.8(5) . . ?
C22 C21 C24 107.9(5) . . ?
C28 C21 H21 109.7 . . ?
C22 C21 H21 109.7 . . ?
C24 C21 H21 109.7 . . ?
C23 C22 C21 110.2(5) . . ?
C23 C22 H22A 109.6 . . ?
C21 C22 H22A 109.6 . . ?
C23 C22 H22B 109.6 . . ?
C21 C22 H22B 109.6 . . ?
H22A C22 H22B 108.1 . . ?
C20 C23 C22 110.0(5) . . ?
C20 C23 C27 109.5(6) . . ?
C22 C23 C27 108.7(6) . . ?
C20 C23 H23 109.5 . . ?
C22 C23 H23 109.5 . . ?
C27 C23 H23 109.5 . . ?
C19 C24 C21 110.1(4) . . ?
C19 C24 H24A 109.6 . . ?
C21 C24 H24A 109.6 . . ?
C19 C24 H24B 109.6 . . ?
C21 C24 H24B 109.6 . . ?
H24A C24 H24B 108.2 . . ?
C28 C25 C20 110.1(6) . . ?
C28 C25 C26 109.6(5) . . ?
C20 C25 C26 109.0(5) . . ?
C28 C25 H25 109.4 . . ?
C20 C25 H25 109.4 . . ?
C26 C25 H25 109.4 . . ?
C25 C26 C19 111.3(4) . . ?
C25 C26 H26A 109.4 . . ?
C19 C26 H26A 109.4 . . ?
C25 C26 H26B 109.4 . . ?
C19 C26 H26B 109.4 . . ?
H26A C26 H26B 108 . . ?
C19 C27 C23 109.8(4) . . ?
C19 C27 H27A 109.7 . . ?
C23 C27 H27A 109.7 . . ?
C19 C27 H27B 109.7 . . ?
C23 C27 H27B 109.7 . . ?
H27A C27 H27B 108.2 . . ?
C21 C28 C25 110.3(5) . . ?
C21 C28 H28A 109.6 . . ?
C25 C28 H28A 109.6 . . ?
C21 C28 H28B 109.6 . . ?
C25 C28 H28B 109.6 . . ?
H28A C28 H28B 108.1 . . ?
C30 C29 Au1 74.0(3) . . ?
C30 C29 H29A 122(4) . . ?
Au1 C29 H29A 115(4) . . ?
C30 C29 H29B 128(5) . . ?
Au1 C29 H29B 111(5) . . ?
H29A C29 H29B 104(6) . . ?
C29 C30 C31 126.3(5) . . ?
C29 C30 Au1 68.9(3) . . ?
C31 C30 Au1 115.1(3) . . ?
C29 C30 H30 114(4) . . ?
C31 C30 H30 116(4) . . ?
Au1 C30 H30 103(4) . . ?
C36 C31 C32 117.7(6) . . ?
C36 C31 C30 122.8(5) . . ?
C32 C31 C30 119.4(5) . . ?
C33 C32 C31 120.3(6) . . ?
C33 C32 H32 119.8 . . ?
C31 C32 H32 119.8 . . ?
C34 C33 C32 120.2(7) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
C33 C34 C35 120.4(6) . . ?
C33 C34 H34 119.8 . . ?
C35 C34 H34 119.8 . . ?
C34 C35 C36 120.1(6) . . ?
C34 C35 H35 120 . . ?
C36 C35 H35 120 . . ?
C35 C36 C31 121.2(6) . . ?
C35 C36 H36 119.4 . . ?
C31 C36 H36 119.4 . . ?
C29 Au1 C30 37.2(2) . . ?
C29 Au1 P1 171.18(18) . . ?
C30 Au1 P1 134.08(16) . . ?
C29 Au1 N1 106.6(2) . . ?
C30 Au1 N1 143.65(18) . . ?
P1 Au1 N1 82.19(10) . . ?
C6 N1 C8 111.5(4) . . ?
C6 N1 C7 109.7(4) . . ?
C8 N1 C7 110.8(4) . . ?
C6 N1 Au1 112.7(3) . . ?
C8 N1 Au1 107.8(3) . . ?
C7 N1 Au1 104.2(3) . . ?
C1 P1 C19 107.7(2) . . ?
C1 P1 C9 106.5(2) . . ?
C19 P1 C9 115.0(2) . . ?
C1 P1 Au1 103.10(16) . . ?
C19 P1 Au1 111.09(15) . . ?
C9 P1 Au1 112.55(15) . . ?
F6 Sb1 F4 89.6(3) . . ?
F6 Sb1 F5 179.3(2) . . ?
F4 Sb1 F5 90.5(3) . . ?
F6 Sb1 F2 90.6(3) . . ?
F4 Sb1 F2 179.0(2) . . ?
F5 Sb1 F2 89.2(3) . . ?
F6 Sb1 F3 90.71(19) . . ?
F4 Sb1 F3 91.17(18) . . ?
F5 Sb1 F3 89.94(19) . . ?
F2 Sb1 F3 89.79(17) . . ?
F6 Sb1 F1 89.06(19) . . ?
F4 Sb1 F1 90.32(18) . . ?
F5 Sb1 F1 90.30(19) . . ?
F2 Sb1 F1 88.72(17) . . ?
F3 Sb1 F1 178.49(16) . . ?

####################################################################### 
# 
# 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_max34
_database_code_depnum_ccdc_archive 'CCDC 1907629'
loop_
_audit_author_name
_audit_author_address
'Sonia Mallet-Ladeira'
;Institut de Chimie de Toulouse Universite de Toulouse CNRS
France
;
_audit_update_record             
;
2019-04-03 deposited with the CCDC.	2019-06-13 downloaded from the CCDC.
;

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
 ?
;


_chemical_formula_moiety         'C34 H38 Au B10 P2, 0.05(C2 H4 Cl4), Cl4 Ga'
_chemical_formula_sum            'C34.10 H38.20 Au B10 Cl4.20 Ga P2'
_chemical_formula_weight         1033.67

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_as_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                   11.6826(5)
_cell_length_b                   19.7076(9)
_cell_length_c                   19.0738(8)
_cell_angle_alpha                90
_cell_angle_beta                 93.6190(10)
_cell_angle_gamma                90
_cell_volume                     4382.7(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9965
_cell_measurement_theta_min      2.33
_cell_measurement_theta_max      33.30

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_crystal_density_diffrn    1.567
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2016.8
_exptl_special_details           
;
 ?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    4.312
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_absorpt_correction_T_min  0.6573
_exptl_absorpt_correction_T_max  0.7466

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'microfocus sealed tube'
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_measurement_device_type  'Bruker Kappa APEX II Quazar'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_av_R_equivalents  0.031
_diffrn_reflns_av_unetI/netI     0.0317
_diffrn_reflns_number            63607
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         6.826
_diffrn_reflns_theta_max         32.032
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.989
_reflns_Friedel_coverage         0
_reflns_number_total             15088
_reflns_number_gt                11988
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'


#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_hydrogens   mixed

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_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+4.6346P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_number_reflns         15088
_refine_ls_number_parameters     525
_refine_ls_number_restraints     73
_refine_ls_R_factor_all          0.0424
_refine_ls_R_factor_gt           0.0263
_refine_ls_wR_factor_ref         0.0685
_refine_ls_wR_factor_gt          0.0614
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0
_refine_diff_density_max         1.388
_refine_diff_density_min         -0.625
_refine_diff_density_rms         0.1

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 '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'
Ga Ga 0.2307 1.6083 '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'

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 0.24666(2) 0.86056(2) 0.23467(2) 0.02150(3) Uani 1 1 d . . . . .
Cl4 Cl 0.55824(6) 0.78430(4) 0.58880(5) 0.04643(18) Uani 1 1 d . . . . .
Cl3 Cl 0.35274(7) 0.71901(5) 0.45919(4) 0.04655(18) Uani 1 1 d . . . . .
Cl1 Cl 0.25814(6) 0.82315(4) 0.59641(5) 0.04550(18) Uani 1 1 d . . . . .
Ga1 Ga 0.38301(2) 0.74795(2) 0.56959(2) 0.03077(6) Uani 1 1 d . . . . .
Cl2 Cl 0.36473(7) 0.65831(4) 0.63469(4) 0.04121(16) Uani 1 1 d . . . . .
P2 P 0.44092(5) 0.85885(3) 0.20357(3) 0.02134(11) Uani 1 1 d . . . . .
P1 P 0.22551(5) 0.96994(3) 0.18270(3) 0.02245(12) Uani 1 1 d . . . . .
C24 C 0.4482(3) 0.7531(2) -0.01087(18) 0.0511(9) Uani 1 1 d . . . . .
H24 H 0.447142 0.730576 -0.05493 0.061 Uiso 1 1 calc R U . . .
C11 C 0.1583(3) 1.0029(2) -0.02995(18) 0.0519(9) Uani 1 1 d . . . . .
H11 H 0.159624 1.038948 -0.06298 0.062 Uiso 1 1 calc R U . . .
B1 B 0.4643(3) 0.99540(17) 0.1233(2) 0.0391(8) Uani 1 1 d . . . . .
H1 H 0.437001 0.972439 0.071205 0.047 Uiso 1 1 calc R U . . .
C29 C 0.0535(2) 0.85117(14) 0.33766(15) 0.0317(6) Uani 1 1 d . . . . .
B2 B 0.4041(3) 1.07717(17) 0.2430(3) 0.0473(10) Uani 1 1 d . . . . .
H2 H 0.338045 1.108488 0.268195 0.057 Uiso 1 1 calc R U . . .
C12 C 0.1267(3) 0.9391(2) -0.05208(18) 0.0510(8) Uani 1 1 d . . . . .
H12 H 0.108554 0.930625 -0.100546 0.061 Uiso 1 1 calc R U . . .
C21 C 0.4499(2) 0.82090(13) 0.11758(13) 0.0267(5) Uani 1 1 d . . . . .
C27 C 0.1930(3) 0.76851(15) 0.28508(18) 0.0348(6) Uani 1 1 d . . . . .
H27A H 0.233(3) 0.7656(17) 0.3262(19) 0.038(9) Uiso 1 1 d . . . . .
H27B H 0.203(3) 0.7341(19) 0.253(2) 0.044(9) Uiso 1 1 d . . . . .
C31 C 0.0704(3) 0.90124(19) 0.45338(18) 0.0477(8) Uani 1 1 d . . . . .
H31 H 0.114861 0.909938 0.495864 0.057 Uiso 1 1 calc R U . . .
B3 B 0.5271(3) 1.11359(19) 0.2078(4) 0.0679(15) Uani 1 1 d . . . . .
H3 H 0.543119 1.169606 0.209901 0.081 Uiso 1 1 calc R U . . .
C22 C 0.3633(2) 0.77449(16) 0.09838(16) 0.0374(6) Uani 1 1 d . . . . .
H22 H 0.304134 0.76604 0.129186 0.045 Uiso 1 1 calc R U . . .
C33 C -0.1040(3) 0.9141(2) 0.3823(2) 0.0564(9) Uani 1 1 d . . . . .
H33 H -0.179978 0.93116 0.375786 0.068 Uiso 1 1 calc R U . . .
C18 C 0.7017(3) 0.75131(17) 0.35452(18) 0.0420(7) Uani 1 1 d . . . . .
H18 H 0.754546 0.728045 0.38589 0.05 Uiso 1 1 calc R U . . .
C9 C 0.1855(2) 0.96326(13) 0.08978(14) 0.0273(5) Uani 1 1 d . . . . .
B4 B 0.5648(3) 1.0642(2) 0.1341(3) 0.0628(14) Uani 1 1 d . . . . .
H4B H 0.604658 1.087059 0.087705 0.075 Uiso 1 1 calc R U . . .
C20 C 0.5321(2) 0.81903(15) 0.33447(15) 0.0335(6) Uani 1 1 d . . . . .
H20 H 0.468245 0.842016 0.351864 0.04 Uiso 1 1 calc R U . . .
C14 C 0.1500(2) 0.89910(15) 0.06627(15) 0.0343(6) Uani 1 1 d . . . . .
H14 H 0.145554 0.862936 0.09891 0.041 Uiso 1 1 calc R U . . .
C30 C 0.1164(3) 0.86378(15) 0.40115(16) 0.0372(6) Uani 1 1 d . . . . .
H30 H 0.19194 0.846225 0.408327 0.045 Uiso 1 1 calc R U . . .
C25 C 0.5341(3) 0.7982(2) 0.00793(17) 0.0482(8) Uani 1 1 d . . . . .
H25 H 0.593008 0.806223 -0.0232 0.058 Uiso 1 1 calc R U . . .
C28 C 0.0974(2) 0.81110(14) 0.27990(15) 0.0304(5) Uani 1 1 d . . . . .
H28 H 0.047(3) 0.8038(15) 0.2406(17) 0.029(8) Uiso 1 1 d . . . . .
C19 C 0.6101(3) 0.78569(17) 0.38073(16) 0.0405(7) Uani 1 1 d . . . . .
H19 H 0.600667 0.786507 0.429831 0.049 Uiso 1 1 calc R U . . .
B5 B 0.6412(3) 1.0551(2) 0.2174(3) 0.0666(15) Uani 1 1 d . . . . .
H5B H 0.732214 1.07267 0.225763 0.08 Uiso 1 1 calc R U . . .
C7 C 0.0396(3) 1.13952(16) 0.2257(2) 0.0456(8) Uani 1 1 d . . . . .
H7 H 0.01397 1.179951 0.20261 0.055 Uiso 1 1 calc R U . . .
C16 C 0.6406(2) 0.78460(13) 0.23699(15) 0.0284(5) Uani 1 1 d . . . . .
H16 H 0.651807 0.784641 0.188087 0.034 Uiso 1 1 calc R U . . .
C3 C 0.1399(2) 1.03327(12) 0.22346(14) 0.0268(5) Uani 1 1 d . . . . .
C5 C 0.0544(4) 1.0706(2) 0.3288(2) 0.0716(13) Uani 1 1 d . . . . .
H5 H 0.040652 1.063791 0.376806 0.086 Uiso 1 1 calc R U . . .
C23 C 0.3631(3) 0.7406(2) 0.03472(18) 0.0505(8) Uani 1 1 d . . . . .
H23 H 0.304244 0.708747 0.022313 0.061 Uiso 1 1 calc R U . . .
B6 B 0.4177(3) 1.07834(17) 0.1510(3) 0.0492(10) Uani 1 1 d . . . . .
H6B H 0.35989 1.110649 0.115826 0.059 Uiso 1 1 calc R U . . .
C15 C 0.54776(19) 0.81864(12) 0.26256(13) 0.0241(5) Uani 1 1 d . . . . .
C8 C 0.1019(3) 1.09251(15) 0.19009(17) 0.0381(6) Uani 1 1 d . . . . .
H8 H 0.118815 1.100751 0.14277 0.046 Uiso 1 1 calc R U . . .
C1 C 0.37402(19) 1.00684(12) 0.19168(16) 0.0291(5) Uani 1 1 d . . . . .
C13 C 0.1212(3) 0.8878(2) -0.00450(18) 0.0481(8) Uani 1 1 d . . . . .
H13 H 0.097442 0.843852 -0.019898 0.058 Uiso 1 1 calc R U . . .
C10 C 0.1887(3) 1.01532(16) 0.04080(17) 0.0411(7) Uani 1 1 d . . . . .
H10 H 0.211645 1.059571 0.055575 0.049 Uiso 1 1 calc R U . . .
C26 C 0.5365(2) 0.83251(17) 0.07174(16) 0.0378(6) Uani 1 1 d . . . . .
H26 H 0.596637 0.863577 0.084081 0.045 Uiso 1 1 calc R U . . .
C17 C 0.7170(2) 0.75049(16) 0.28340(17) 0.0385(6) Uani 1 1 d . . . . .
H17 H 0.779978 0.726563 0.266096 0.046 Uiso 1 1 calc R U . . .
C34 C -0.0576(3) 0.87714(19) 0.32920(18) 0.0449(7) Uani 1 1 d . . . . .
H34 H -0.102065 0.869347 0.286511 0.054 Uiso 1 1 calc R U . . .
B7 B 0.6039(3) 0.98198(18) 0.1665(3) 0.0462(10) Uani 1 1 d . . . . .
H7A H 0.669693 0.950176 0.141622 0.055 Uiso 1 1 calc R U . . .
B8 B 0.5908(3) 0.98105(18) 0.2589(2) 0.0460(9) Uani 1 1 d . . . . .
H8A H 0.647958 0.948967 0.294743 0.055 Uiso 1 1 calc R U . . .
C6 C 0.0142(4) 1.12841(18) 0.2944(2) 0.0568(10) Uani 1 1 d . . . . .
H6 H -0.030742 1.160321 0.317925 0.068 Uiso 1 1 calc R U . . .
C4 C 0.1150(4) 1.02245(17) 0.2931(2) 0.0540(9) Uani 1 1 d . . . . .
H4 H 0.139622 0.981839 0.316215 0.065 Uiso 1 1 calc R U . . .
C2 C 0.48441(19) 0.94982(13) 0.20124(16) 0.0289(5) Uani 1 1 d . . . . .
C32 C -0.0409(3) 0.9265(2) 0.4443(2) 0.0548(9) Uani 1 1 d . . . . .
H32 H -0.072904 0.95192 0.4806 0.066 Uiso 1 1 calc R U . . .
B9 B 0.4418(3) 0.99397(17) 0.2739(2) 0.0381(7) Uani 1 1 d . . . . .
H9 H 0.399403 0.969554 0.31852 0.046 Uiso 1 1 calc R U . . .
B10 B 0.5419(3) 1.0617(2) 0.2855(3) 0.0607(13) Uani 1 1 d . . . . .
H10A H 0.566796 1.08271 0.338875 0.073 Uiso 1 1 calc R U . . .
Cl5 Cl -0.4819(12) 0.9630(7) 0.4850(10) 0.068(2) Uani 0.05 1 d DG U P A -1
C35 C -0.3514(12) 1.0072(6) 0.4750(7) 0.068(2) Uani 0.05 1 d DG U P A -1
H35A H -0.283307 0.982872 0.495868 0.082 Uiso 0.05 1 calc R U P A -1
H35B H -0.339963 1.019773 0.425681 0.082 Uiso 0.05 1 calc R U P A -1
Cl6 Cl -0.3927(10) 1.0753(5) 0.5258(7) 0.069(2) Uani 0.05 1 d DG U P A -1
Cl5' Cl -0.3136(12) 0.9543(6) 0.5368(10) 0.067(2) Uani 0.05 1 d DG U P A -2
C35' C -0.3451(10) 1.0121(6) 0.4879(7) 0.068(2) Uani 0.05 1 d DG U P A -2
H35C H -0.397252 0.995733 0.448543 0.082 Uiso 0.05 1 calc R U P A -2
H35D H -0.275199 1.030532 0.468072 0.082 Uiso 0.05 1 calc R U P A -2
Cl6' Cl -0.4124(10) 1.0753(5) 0.5341(7) 0.069(2) Uani 0.05 1 d DG U P A -2



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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 C27 2.164(3) . ?
Au1 C28 2.219(2) . ?
Au1 P1 2.3790(6) . ?
Au1 P2 2.3818(6) . ?
Cl4 Ga1 2.1781(7) . ?
Cl3 Ga1 2.1886(8) . ?
Cl1 Ga1 2.1634(8) . ?
Ga1 Cl2 2.1775(8) . ?
P2 C15 1.810(2) . ?
P2 C21 1.812(3) . ?
P2 C2 1.865(3) . ?
P1 C3 1.806(2) . ?
P1 C9 1.809(3) . ?
P1 C1 1.879(2) . ?
C24 C25 1.371(5) . ?
C24 C23 1.384(5) . ?
C24 H24 0.95 . ?
C11 C12 1.370(6) . ?
C11 C10 1.395(5) . ?
C11 H11 0.95 . ?
B1 C2 1.740(5) . ?
B1 C1 1.742(4) . ?
B1 B4 1.797(5) . ?
B1 B7 1.800(5) . ?
B1 B6 1.812(5) . ?
B1 H1 1.12 . ?
C29 C34 1.396(4) . ?
C29 C30 1.398(4) . ?
C29 C28 1.474(4) . ?
B2 C1 1.720(4) . ?
B2 B6 1.771(7) . ?
B2 B3 1.776(6) . ?
B2 B10 1.783(5) . ?
B2 B9 1.789(5) . ?
B2 H2 1.12 . ?
C12 C13 1.363(5) . ?
C12 H12 0.95 . ?
C21 C22 1.395(4) . ?
C21 C26 1.397(4) . ?
C27 C28 1.395(4) . ?
C27 H27A 0.89(4) . ?
C27 H27B 0.92(4) . ?
C31 C30 1.376(5) . ?
C31 C32 1.393(5) . ?
C31 H31 0.95 . ?
B3 B5 1.763(6) . ?
B3 B6 1.764(6) . ?
B3 B4 1.787(8) . ?
B3 B10 1.801(8) . ?
B3 H3 1.12 . ?
C22 C23 1.385(4) . ?
C22 H22 0.95 . ?
C33 C32 1.376(5) . ?
C33 C34 1.385(5) . ?
C33 H33 0.95 . ?
C18 C17 1.380(5) . ?
C18 C19 1.386(5) . ?
C18 H18 0.95 . ?
C9 C10 1.390(4) . ?
C9 C14 1.396(4) . ?
B4 B5 1.781(8) . ?
B4 B7 1.784(5) . ?
B4 B6 1.790(5) . ?
B4 H4B 1.12 . ?
C20 C19 1.393(4) . ?
C20 C15 1.395(4) . ?
C20 H20 0.95 . ?
C14 C13 1.388(4) . ?
C14 H14 0.95 . ?
C30 H30 0.95 . ?
C25 C26 1.391(5) . ?
C25 H25 0.95 . ?
C28 H28 0.94(3) . ?
C19 H19 0.95 . ?
B5 B7 1.777(6) . ?
B5 B8 1.779(6) . ?
B5 B10 1.801(8) . ?
B5 H5B 1.12 . ?
C7 C6 1.378(6) . ?
C7 C8 1.383(4) . ?
C7 H7 0.95 . ?
C16 C15 1.390(3) . ?
C16 C17 1.390(4) . ?
C16 H16 0.95 . ?
C3 C8 1.389(4) . ?
C3 C4 1.393(4) . ?
C5 C6 1.383(5) . ?
C5 C4 1.387(5) . ?
C5 H5 0.95 . ?
C23 H23 0.95 . ?
B6 C1 1.702(4) . ?
B6 H6B 1.12 . ?
C8 H8 0.95 . ?
C1 C2 1.712(3) . ?
C1 B9 1.731(5) . ?
C13 H13 0.95 . ?
C10 H10 0.95 . ?
C26 H26 0.95 . ?
C17 H17 0.95 . ?
C34 H34 0.95 . ?
B7 C2 1.705(4) . ?
B7 B8 1.780(7) . ?
B7 H7A 1.12 . ?
B8 C2 1.721(4) . ?
B8 B10 1.774(5) . ?
B8 B9 1.799(5) . ?
B8 H8A 1.12 . ?
C6 H6 0.95 . ?
C4 H4 0.95 . ?
C2 B9 1.736(5) . ?
C32 H32 0.95 . ?
B9 B10 1.779(5) . ?
B9 H9 1.12 . ?
B10 H10A 1.12 . ?
Cl5 C35 1.7766 . ?
C35 Cl6 1.742 . ?
C35 H35A 0.99 . ?
C35 H35B 0.99 . ?
Cl5' C35' 1.5028 . ?
C35' Cl6' 1.742 . ?
C35' H35C 0.99 . ?
C35' H35D 0.99 . ?

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
C27 Au1 C28 37.10(11) . . ?
C27 Au1 P1 156.81(8) . . ?
C28 Au1 P1 119.77(7) . . ?
C27 Au1 P2 113.96(8) . . ?
C28 Au1 P2 151.04(7) . . ?
P1 Au1 P2 89.12(2) . . ?
Cl1 Ga1 Cl2 109.21(3) . . ?
Cl1 Ga1 Cl4 112.06(3) . . ?
Cl2 Ga1 Cl4 107.21(3) . . ?
Cl1 Ga1 Cl3 109.61(3) . . ?
Cl2 Ga1 Cl3 108.76(4) . . ?
Cl4 Ga1 Cl3 109.91(3) . . ?
C15 P2 C21 107.76(11) . . ?
C15 P2 C2 104.93(11) . . ?
C21 P2 C2 110.11(13) . . ?
C15 P2 Au1 118.82(8) . . ?
C21 P2 Au1 109.99(8) . . ?
C2 P2 Au1 104.93(8) . . ?
C3 P1 C9 110.86(12) . . ?
C3 P1 C1 103.10(11) . . ?
C9 P1 C1 107.32(12) . . ?
C3 P1 Au1 119.52(9) . . ?
C9 P1 Au1 110.85(9) . . ?
C1 P1 Au1 103.99(8) . . ?
C25 C24 C23 119.6(3) . . ?
C25 C24 H24 120.2 . . ?
C23 C24 H24 120.2 . . ?
C12 C11 C10 120.4(3) . . ?
C12 C11 H11 119.8 . . ?
C10 C11 H11 119.8 . . ?
C2 B1 C1 58.88(17) . . ?
C2 B1 B4 103.9(3) . . ?
C1 B1 B4 103.8(3) . . ?
C2 B1 B7 57.56(18) . . ?
C1 B1 B7 104.5(3) . . ?
B4 B1 B7 59.5(2) . . ?
C2 B1 B6 104.1(3) . . ?
C1 B1 B6 57.18(18) . . ?
B4 B1 B6 59.5(2) . . ?
B7 B1 B6 106.2(3) . . ?
C2 B1 H1 124.4 . . ?
C1 B1 H1 124.4 . . ?
B4 B1 H1 123.6 . . ?
B7 B1 H1 123 . . ?
B6 B1 H1 123.3 . . ?
C34 C29 C30 118.0(3) . . ?
C34 C29 C28 118.4(3) . . ?
C30 C29 C28 123.6(3) . . ?
C1 B2 B6 58.3(2) . . ?
C1 B2 B3 104.6(3) . . ?
B6 B2 B3 59.7(3) . . ?
C1 B2 B10 105.5(2) . . ?
B6 B2 B10 108.6(3) . . ?
B3 B2 B10 60.8(3) . . ?
C1 B2 B9 59.08(18) . . ?
B6 B2 B9 107.7(3) . . ?
B3 B2 B9 107.9(3) . . ?
B10 B2 B9 59.7(2) . . ?
C1 B2 H2 124.6 . . ?
B6 B2 H2 121.7 . . ?
B3 B2 H2 122.4 . . ?
B10 B2 H2 121.7 . . ?
B9 B2 H2 121.7 . . ?
C13 C12 C11 119.9(3) . . ?
C13 C12 H12 120 . . ?
C11 C12 H12 120 . . ?
C22 C21 C26 119.0(3) . . ?
C22 C21 P2 115.2(2) . . ?
C26 C21 P2 125.8(2) . . ?
C28 C27 Au1 73.58(16) . . ?
C28 C27 H27A 118(2) . . ?
Au1 C27 H27A 107(2) . . ?
C28 C27 H27B 122(2) . . ?
Au1 C27 H27B 106(2) . . ?
H27A C27 H27B 117(3) . . ?
C30 C31 C32 120.4(3) . . ?
C30 C31 H31 119.8 . . ?
C32 C31 H31 119.8 . . ?
B5 B3 B6 108.7(3) . . ?
B5 B3 B2 108.8(3) . . ?
B6 B3 B2 60.0(2) . . ?
B5 B3 B4 60.2(3) . . ?
B6 B3 B4 60.5(3) . . ?
B2 B3 B4 108.8(3) . . ?
B5 B3 B10 60.7(3) . . ?
B6 B3 B10 108.1(3) . . ?
B2 B3 B10 59.8(3) . . ?
B4 B3 B10 108.8(3) . . ?
B5 B3 H3 121.1 . . ?
B6 B3 H3 121.6 . . ?
B2 B3 H3 121.5 . . ?
B4 B3 H3 121.1 . . ?
B10 B3 H3 121.5 . . ?
C23 C22 C21 120.5(3) . . ?
C23 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C32 C33 C34 120.6(3) . . ?
C32 C33 H33 119.7 . . ?
C34 C33 H33 119.7 . . ?
C17 C18 C19 120.8(3) . . ?
C17 C18 H18 119.6 . . ?
C19 C18 H18 119.6 . . ?
C10 C9 C14 118.2(3) . . ?
C10 C9 P1 126.1(2) . . ?
C14 C9 P1 115.7(2) . . ?
B5 B4 B7 59.8(2) . . ?
B5 B4 B3 59.2(3) . . ?
B7 B4 B3 107.0(4) . . ?
B5 B4 B6 106.7(4) . . ?
B7 B4 B6 107.9(2) . . ?
B3 B4 B6 59.1(2) . . ?
B5 B4 B1 108.2(3) . . ?
B7 B4 B1 60.34(19) . . ?
B3 B4 B1 108.0(3) . . ?
B6 B4 B1 60.68(19) . . ?
B5 B4 H4B 122.3 . . ?
B7 B4 H4B 121.9 . . ?
B3 B4 H4B 122.5 . . ?
B6 B4 H4B 122.2 . . ?
B1 B4 H4B 121 . . ?
C19 C20 C15 119.9(3) . . ?
C19 C20 H20 120 . . ?
C15 C20 H20 120 . . ?
C13 C14 C9 120.5(3) . . ?
C13 C14 H14 119.8 . . ?
C9 C14 H14 119.8 . . ?
C31 C30 C29 121.0(3) . . ?
C31 C30 H30 119.5 . . ?
C29 C30 H30 119.5 . . ?
C24 C25 C26 121.2(3) . . ?
C24 C25 H25 119.4 . . ?
C26 C25 H25 119.4 . . ?
C27 C28 C29 125.7(3) . . ?
C27 C28 Au1 69.32(15) . . ?
C29 C28 Au1 111.98(17) . . ?
C27 C28 H28 115.2(19) . . ?
C29 C28 H28 116.7(19) . . ?
Au1 C28 H28 103.2(19) . . ?
C18 C19 C20 119.4(3) . . ?
C18 C19 H19 120.3 . . ?
C20 C19 H19 120.3 . . ?
B3 B5 B7 108.4(3) . . ?
B3 B5 B8 108.3(3) . . ?
B7 B5 B8 60.1(2) . . ?
B3 B5 B4 60.6(3) . . ?
B7 B5 B4 60.2(3) . . ?
B8 B5 B4 108.6(3) . . ?
B3 B5 B10 60.7(3) . . ?
B7 B5 B10 107.8(2) . . ?
B8 B5 B10 59.4(2) . . ?
B4 B5 B10 109.1(3) . . ?
B3 B5 H5B 121.2 . . ?
B7 B5 H5B 121.8 . . ?
B8 B5 H5B 121.8 . . ?
B4 B5 H5B 121 . . ?
B10 B5 H5B 121.6 . . ?
C6 C7 C8 120.8(3) . . ?
C6 C7 H7 119.6 . . ?
C8 C7 H7 119.6 . . ?
C15 C16 C17 119.6(3) . . ?
C15 C16 H16 120.2 . . ?
C17 C16 H16 120.2 . . ?
C8 C3 C4 119.0(3) . . ?
C8 C3 P1 123.6(2) . . ?
C4 C3 P1 117.3(2) . . ?
C6 C5 C4 120.0(4) . . ?
C6 C5 H5 120 . . ?
C4 C5 H5 120 . . ?
C24 C23 C22 120.2(3) . . ?
C24 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
C1 B6 B3 105.8(3) . . ?
C1 B6 B2 59.3(2) . . ?
B3 B6 B2 60.3(3) . . ?
C1 B6 B4 105.8(2) . . ?
B3 B6 B4 60.4(3) . . ?
B2 B6 B4 108.9(3) . . ?
C1 B6 B1 59.34(17) . . ?
B3 B6 B1 108.3(3) . . ?
B2 B6 B1 108.9(2) . . ?
B4 B6 B1 59.8(2) . . ?
C1 B6 H6B 123.9 . . ?
B3 B6 H6B 122 . . ?
B2 B6 H6B 120.8 . . ?
B4 B6 H6B 121.9 . . ?
B1 B6 H6B 121.2 . . ?
C16 C15 C20 120.1(2) . . ?
C16 C15 P2 121.1(2) . . ?
C20 C15 P2 118.72(19) . . ?
C7 C8 C3 120.0(3) . . ?
C7 C8 H8 120 . . ?
C3 C8 H8 120 . . ?
B6 C1 C2 110.29(19) . . ?
B6 C1 B2 62.3(2) . . ?
C2 C1 B2 110.1(2) . . ?
B6 C1 B9 113.6(2) . . ?
C2 C1 B9 60.56(17) . . ?
B2 C1 B9 62.4(2) . . ?
B6 C1 B1 63.5(2) . . ?
C2 C1 B1 60.49(17) . . ?
B2 C1 B1 114.7(2) . . ?
B9 C1 B1 113.3(2) . . ?
B6 C1 P1 125.47(19) . . ?
C2 C1 P1 116.16(16) . . ?
B2 C1 P1 121.19(19) . . ?
B9 C1 P1 113.15(19) . . ?
B1 C1 P1 118.7(2) . . ?
C12 C13 C14 120.6(3) . . ?
C12 C13 H13 119.7 . . ?
C14 C13 H13 119.7 . . ?
C9 C10 C11 120.3(3) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 H10 119.8 . . ?
C25 C26 C21 119.5(3) . . ?
C25 C26 H26 120.2 . . ?
C21 C26 H26 120.2 . . ?
C18 C17 C16 120.2(3) . . ?
C18 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?
C33 C34 C29 120.8(3) . . ?
C33 C34 H34 119.6 . . ?
C29 C34 H34 119.6 . . ?
C2 B7 B5 105.5(3) . . ?
C2 B7 B8 59.14(19) . . ?
B5 B7 B8 60.0(3) . . ?
C2 B7 B4 105.9(2) . . ?
B5 B7 B4 60.0(3) . . ?
B8 B7 B4 108.4(3) . . ?
C2 B7 B1 59.46(17) . . ?
B5 B7 B1 108.3(3) . . ?
B8 B7 B1 108.8(2) . . ?
B4 B7 B1 60.2(2) . . ?
C2 B7 H7A 123.9 . . ?
B5 B7 H7A 122.3 . . ?
B8 B7 H7A 121.2 . . ?
B4 B7 H7A 122 . . ?
B1 B7 H7A 121 . . ?
C2 B8 B10 105.7(2) . . ?
C2 B8 B5 104.7(3) . . ?
B10 B8 B5 60.9(3) . . ?
C2 B8 B7 58.25(19) . . ?
B10 B8 B7 108.9(3) . . ?
B5 B8 B7 59.9(3) . . ?
C2 B8 B9 59.03(17) . . ?
B10 B8 B9 59.7(2) . . ?
B5 B8 B9 107.8(2) . . ?
B7 B8 B9 107.5(2) . . ?
C2 B8 H8A 124.5 . . ?
B10 B8 H8A 121.5 . . ?
B5 B8 H8A 122.3 . . ?
B7 B8 H8A 121.7 . . ?
B9 B8 H8A 121.9 . . ?
C7 C6 C5 119.6(3) . . ?
C7 C6 H6 120.2 . . ?
C5 C6 H6 120.2 . . ?
C5 C4 C3 120.4(3) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
B7 C2 C1 110.1(2) . . ?
B7 C2 B8 62.6(2) . . ?
C1 C2 B8 110.0(2) . . ?
B7 C2 B9 114.0(2) . . ?
C1 C2 B9 60.27(17) . . ?
B8 C2 B9 62.73(19) . . ?
B7 C2 B1 62.98(19) . . ?
C1 C2 B1 60.63(16) . . ?
B8 C2 B1 114.5(2) . . ?
B9 C2 B1 113.1(2) . . ?
B7 C2 P2 126.70(19) . . ?
C1 C2 P2 115.41(15) . . ?
B8 C2 P2 121.03(19) . . ?
B9 C2 P2 111.76(19) . . ?
B1 C2 P2 119.6(2) . . ?
C33 C32 C31 119.3(3) . . ?
C33 C32 H32 120.4 . . ?
C31 C32 H32 120.4 . . ?
C1 B9 C2 59.17(17) . . ?
C1 B9 B10 105.2(3) . . ?
C2 B9 B10 104.9(3) . . ?
C1 B9 B2 58.48(19) . . ?
C2 B9 B2 105.8(3) . . ?
B10 B9 B2 60.0(2) . . ?
C1 B9 B8 105.6(3) . . ?
C2 B9 B8 58.24(19) . . ?
B10 B9 B8 59.4(2) . . ?
B2 B9 B8 107.4(3) . . ?
C1 B9 H9 123.5 . . ?
C2 B9 H9 123.6 . . ?
B10 B9 H9 123.2 . . ?
B2 B9 H9 122.2 . . ?
B8 B9 H9 122.6 . . ?
B8 B10 B9 60.86(19) . . ?
B8 B10 B2 108.7(3) . . ?
B9 B10 B2 60.28(19) . . ?
B8 B10 B3 106.8(4) . . ?
B9 B10 B3 107.2(3) . . ?
B2 B10 B3 59.4(2) . . ?
B8 B10 B5 59.7(2) . . ?
B9 B10 B5 107.7(3) . . ?
B2 B10 B5 106.7(4) . . ?
B3 B10 B5 58.6(3) . . ?
B8 B10 H10A 121.4 . . ?
B9 B10 H10A 121.4 . . ?
B2 B10 H10A 121.7 . . ?
B3 B10 H10A 123 . . ?
B5 B10 H10A 122.7 . . ?
Cl6 C35 Cl5 92.7 . . ?
Cl6 C35 H35A 113.2 . . ?
Cl5 C35 H35A 113.2 . . ?
Cl6 C35 H35B 113.2 . . ?
Cl5 C35 H35B 113.2 . . ?
H35A C35 H35B 110.5 . . ?
Cl5' C35' Cl6' 109.1 . . ?
Cl5' C35' H35C 109.9 . . ?
Cl6' C35' H35C 109.9 . . ?
Cl5' C35' H35D 109.9 . . ?
Cl6' C35' H35D 109.9 . . ?
H35C C35' H35D 108.3 . . ?

####################################################################### 
# 
# 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_MNB381_a
_database_code_depnum_ccdc_archive 'CCDC 1918919'
loop_
_audit_author_name
_audit_author_address
'Sonia Mallet-Ladeira'
;Institut de Chimie de Toulouse
France
;
_audit_update_record             
;
2019-05-27 deposited with the CCDC.	2019-06-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C37 H50 Au F6 N O P Sb'
_chemical_formula_weight         988.46

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

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

_cell_length_a                   11.0481(5)
_cell_length_b                   15.7073(7)
_cell_length_c                   20.4499(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3548.8(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9807
_cell_measurement_theta_min      3.55
_cell_measurement_theta_max      72.73

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.850
_exptl_crystal_F_000             1944
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    14.665
_shelx_estimated_absorpt_T_min   0.233
_shelx_estimated_absorpt_T_max   0.272
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3677
_exptl_absorpt_correction_T_max  0.7536
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   'Incoatec microfocus sealed tube'
_diffrn_measurement_device_type  'Bruker D8-Venture CMOS detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_reflns_number            62013
_diffrn_reflns_av_unetI/netI     0.0207
_diffrn_reflns_av_R_equivalents  0.0443
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_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         3.548
_diffrn_reflns_theta_max         72.794
_diffrn_reflns_theta_full        67.679
_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             7060
_reflns_number_gt                6930
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.787
_reflns_Friedel_fraction_max     0.997
_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       'Bruker APEX3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT (Sheldrick 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0377P)²+5.9144P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     'Dual space'
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
; 
 Flack x determined using 2990 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   -0.018(3)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         7060
_refine_ls_number_parameters     448
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0259
_refine_ls_R_factor_gt           0.0251
_refine_ls_wR_factor_ref         0.0622
_refine_ls_wR_factor_gt          0.0617
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_restrained_S_all      1.048
_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 -0.03188(2) 1.04780(2) 0.30856(2) 0.01846(7) Uani 1 1 d . . . . .
P1 P 0.14944(11) 0.97349(8) 0.30319(7) 0.0130(3) Uani 1 1 d . . . . .
O1 O -0.4628(5) 0.7225(4) 0.3254(3) 0.0450(13) Uani 1 1 d . . . . .
N1 N 0.0953(5) 1.1491(3) 0.3640(3) 0.0205(10) Uani 1 1 d . . . . .
C1 C -0.2107(5) 1.0997(4) 0.3078(4) 0.0294(14) Uani 1 1 d . . . . .
H1A H -0.254(8) 1.096(5) 0.352(5) 0.04(2) Uiso 1 1 d . . . . .
H1B H -0.210(8) 1.156(5) 0.292(4) 0.04(2) Uiso 1 1 d . . . . .
C2 C -0.2162(5) 1.0292(4) 0.2682(3) 0.0267(15) Uani 1 1 d . . . . .
H2 H -0.212(6) 1.041(5) 0.221(4) 0.022(17) Uiso 1 1 d . . . . .
C3 C -0.2753(5) 0.9472(5) 0.2837(3) 0.0261(12) Uani 1 1 d . . . . .
C4 C -0.3142(7) 0.8959(5) 0.2337(3) 0.0340(16) Uani 1 1 d . . . . .
H4 H -0.297311 0.912242 0.189931 0.041 Uiso 1 1 calc R U . . .
C5 C -0.3783(7) 0.8199(5) 0.2449(4) 0.0358(16) Uani 1 1 d . . . . .
H5 H -0.405633 0.786376 0.209239 0.043 Uiso 1 1 calc R U . . .
C6 C -0.4009(6) 0.7947(5) 0.3083(4) 0.0317(14) Uani 1 1 d . . . . .
C7 C -0.3605(7) 0.8440(5) 0.3602(4) 0.0369(16) Uani 1 1 d . . . . .
H7 H -0.374686 0.826043 0.403845 0.044 Uiso 1 1 calc R U . . .
C8 C -0.2994(6) 0.9194(5) 0.3483(3) 0.0290(14) Uani 1 1 d . . . . .
H8 H -0.273237 0.953114 0.384150 0.035 Uiso 1 1 calc R U . . .
C9 C -0.5116(7) 0.6733(5) 0.2722(5) 0.045(2) Uani 1 1 d . . . . .
H9A H -0.570509 0.707786 0.248067 0.067 Uiso 1 1 calc R U . . .
H9B H -0.551675 0.622442 0.289582 0.067 Uiso 1 1 calc R U . . .
H9C H -0.445941 0.656242 0.242816 0.067 Uiso 1 1 calc R U . . .
C10 C 0.2571(5) 1.0415(4) 0.3471(3) 0.0164(10) Uani 1 1 d . . . . .
C11 C 0.2184(5) 1.1195(4) 0.3724(3) 0.0191(12) Uani 1 1 d . . . . .
C12 C 0.3010(6) 1.1706(4) 0.4063(4) 0.0292(14) Uani 1 1 d . . . . .
H12 H 0.275284 1.224149 0.422881 0.035 Uiso 1 1 calc R U . . .
C13 C 0.4186(6) 1.1448(5) 0.4162(4) 0.0341(16) Uani 1 1 d . . . . .
H13 H 0.473577 1.180645 0.438975 0.041 Uiso 1 1 calc R U . . .
C14 C 0.4566(6) 1.0661(4) 0.3928(3) 0.0289(14) Uani 1 1 d . . . . .
H14 H 0.536923 1.047130 0.400687 0.035 Uiso 1 1 calc R U . . .
C15 C 0.3771(6) 1.0155(4) 0.3579(3) 0.0223(12) Uani 1 1 d . . . . .
H15 H 0.403893 0.962376 0.341053 0.027 Uiso 1 1 calc R U . . .
C16 C 0.0929(7) 1.2233(4) 0.3203(4) 0.0319(15) Uani 1 1 d . . . . .
H16A H 0.136562 1.270613 0.340787 0.048 Uiso 1 1 calc R U . . .
H16B H 0.008778 1.240121 0.312333 0.048 Uiso 1 1 calc R U . . .
H16C H 0.131700 1.208609 0.278746 0.048 Uiso 1 1 calc R U . . .
C17 C 0.0374(7) 1.1696(5) 0.4273(3) 0.0321(14) Uani 1 1 d . . . . .
H17A H 0.048981 1.122123 0.457766 0.048 Uiso 1 1 calc R U . . .
H17B H -0.049339 1.179204 0.420613 0.048 Uiso 1 1 calc R U . . .
H17C H 0.074288 1.221180 0.445588 0.048 Uiso 1 1 calc R U . . .
C18 C 0.2068(5) 0.9623(4) 0.2178(3) 0.0160(11) Uani 1 1 d . . . . .
C19 C 0.1210(6) 0.9012(4) 0.1806(3) 0.0274(14) Uani 1 1 d . . . . .
H19A H 0.126491 0.843409 0.199822 0.033 Uiso 1 1 calc R U . . .
H19B H 0.036453 0.921142 0.185072 0.033 Uiso 1 1 calc R U . . .
C20 C 0.1561(8) 0.8978(5) 0.1076(3) 0.0361(18) Uani 1 1 d . . . . .
H20 H 0.099656 0.858363 0.084247 0.043 Uiso 1 1 calc R U . . .
C21 C 0.2846(8) 0.8633(5) 0.1020(4) 0.042(2) Uani 1 1 d . . . . .
H21A H 0.307566 0.857977 0.055433 0.050 Uiso 1 1 calc R U . . .
H21B H 0.289459 0.806279 0.122430 0.050 Uiso 1 1 calc R U . . .
C22 C 0.3714(7) 0.9251(5) 0.1370(3) 0.0340(16) Uani 1 1 d . . . . .
H22 H 0.456175 0.903520 0.132772 0.041 Uiso 1 1 calc R U . . .
C23 C 0.3631(7) 1.0138(5) 0.1064(4) 0.0343(16) Uani 1 1 d . . . . .
H23A H 0.418913 1.053304 0.129002 0.041 Uiso 1 1 calc R U . . .
H23B H 0.386392 1.011170 0.059661 0.041 Uiso 1 1 calc R U . . .
C24 C 0.2329(6) 1.0454(5) 0.1129(3) 0.0300(13) Uani 1 1 d . . . . .
H24 H 0.226464 1.103245 0.092733 0.036 Uiso 1 1 calc R U . . .
C25 C 0.1976(5) 1.0511(4) 0.1856(3) 0.0236(11) Uani 1 1 d . . . . .
H25A H 0.113753 1.072700 0.189580 0.028 Uiso 1 1 calc R U . . .
H25B H 0.252166 1.091346 0.208334 0.028 Uiso 1 1 calc R U . . .
C26 C 0.3378(6) 0.9313(4) 0.2104(3) 0.0251(14) Uani 1 1 d . . . . .
H26A H 0.346823 0.874744 0.231249 0.030 Uiso 1 1 calc R U . . .
H26B H 0.393304 0.971448 0.232651 0.030 Uiso 1 1 calc R U . . .
C27 C 0.1462(7) 0.9851(6) 0.0779(4) 0.0394(19) Uani 1 1 d . . . . .
H27A H 0.062205 1.006261 0.082133 0.047 Uiso 1 1 calc R U . . .
H27B H 0.166656 0.982498 0.030773 0.047 Uiso 1 1 calc R U . . .
C28 C 0.1369(5) 0.8716(4) 0.3515(3) 0.0172(11) Uani 1 1 d . . . . .
C29 C 0.1346(7) 0.8966(4) 0.4243(3) 0.0303(15) Uani 1 1 d . . . . .
H29A H 0.070118 0.939113 0.432155 0.036 Uiso 1 1 calc R U . . .
H29B H 0.213107 0.922247 0.436863 0.036 Uiso 1 1 calc R U . . .
C30 C 0.1107(9) 0.8161(5) 0.4660(4) 0.043(2) Uani 1 1 d . . . . .
H30 H 0.110446 0.831810 0.513439 0.051 Uiso 1 1 calc R U . . .
C31 C -0.0083(7) 0.7771(5) 0.4482(4) 0.0407(19) Uani 1 1 d . . . . .
H31A H -0.074160 0.818533 0.456049 0.049 Uiso 1 1 calc R U . . .
H31B H -0.023269 0.726494 0.475960 0.049 Uiso 1 1 calc R U . . .
C32 C -0.0074(7) 0.7511(5) 0.3767(4) 0.0347(16) Uani 1 1 d . . . . .
H32 H -0.087642 0.725681 0.365159 0.042 Uiso 1 1 calc R U . . .
C33 C 0.0907(8) 0.6871(4) 0.3635(4) 0.0369(17) Uani 1 1 d . . . . .
H33A H 0.089663 0.670734 0.316760 0.044 Uiso 1 1 calc R U . . .
H33B H 0.076725 0.635263 0.390009 0.044 Uiso 1 1 calc R U . . .
C34 C 0.2132(7) 0.7261(5) 0.3810(4) 0.0408(19) Uani 1 1 d . . . . .
H34 H 0.278948 0.683454 0.373241 0.049 Uiso 1 1 calc R U . . .
C35 C 0.2358(6) 0.8061(4) 0.3386(4) 0.0323(16) Uani 1 1 d . . . . .
H35A H 0.315845 0.830748 0.349402 0.039 Uiso 1 1 calc R U . . .
H35B H 0.235977 0.790216 0.291771 0.039 Uiso 1 1 calc R U . . .
C36 C 0.0134(6) 0.8307(4) 0.3355(4) 0.0294(15) Uani 1 1 d . . . . .
H36A H -0.051952 0.872365 0.344033 0.035 Uiso 1 1 calc R U . . .
H36B H 0.010754 0.815483 0.288509 0.035 Uiso 1 1 calc R U . . .
C37 C 0.2125(9) 0.7526(6) 0.4529(5) 0.055(3) Uani 1 1 d . . . . .
H37A H 0.201256 0.701676 0.480753 0.066 Uiso 1 1 calc R U . . .
H37B H 0.291260 0.778763 0.464245 0.066 Uiso 1 1 calc R U . . .
Sb1 Sb 0.76080(3) 0.04910(3) 0.53291(2) 0.02258(9) Uani 1 1 d . . . . .
F1 F 0.8733(4) 0.1310(3) 0.5610(2) 0.0371(10) Uani 1 1 d . . . . .
F2 F 0.7087(5) 0.1250(3) 0.4678(3) 0.0546(14) Uani 1 1 d . . . . .
F3 F 0.6471(4) -0.0311(3) 0.5044(2) 0.0434(11) Uani 1 1 d . . . . .
F4 F 0.8160(6) -0.0252(3) 0.5979(3) 0.0551(14) Uani 1 1 d . . . . .
F5 F 0.8737(4) 0.0049(3) 0.4741(3) 0.0498(12) Uani 1 1 d . . . . .
F6 F 0.6482(5) 0.0951(4) 0.5913(3) 0.0606(16) 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
Au1 C1 2.137(6) . ?
Au1 C2 2.216(6) . ?
Au1 P1 2.3211(13) . ?
Au1 N1 2.407(5) . ?
P1 C10 1.835(6) . ?
P1 C18 1.867(6) . ?
P1 C28 1.886(6) . ?
O1 C6 1.370(9) . ?
O1 C9 1.439(10) . ?
N1 C11 1.447(8) . ?
N1 C16 1.468(8) . ?
N1 C17 1.480(8) . ?
C1 C2 1.372(10) . ?
C1 H1A 1.02(9) . ?
C1 H1B 0.93(9) . ?
C2 C3 1.479(10) . ?
C2 H2 0.99(7) . ?
C3 C4 1.370(10) . ?
C3 C8 1.417(10) . ?
C4 C5 1.406(11) . ?
C4 H4 0.9500 . ?
C5 C6 1.377(11) . ?
C5 H5 0.9500 . ?
C6 C7 1.388(11) . ?
C7 C8 1.383(11) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.396(9) . ?
C10 C15 1.404(8) . ?
C11 C12 1.400(9) . ?
C12 C13 1.376(10) . ?
C12 H12 0.9500 . ?
C13 C14 1.392(11) . ?
C13 H13 0.9500 . ?
C14 C15 1.383(9) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C26 1.534(8) . ?
C18 C25 1.546(8) . ?
C18 C19 1.548(8) . ?
C19 C20 1.545(9) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C27 1.504(12) . ?
C20 C21 1.523(12) . ?
C20 H20 1.0000 . ?
C21 C22 1.540(12) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.530(11) . ?
C22 C26 1.549(9) . ?
C22 H22 1.0000 . ?
C23 C24 1.528(10) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C27 1.525(11) . ?
C24 C25 1.540(8) . ?
C24 H24 1.0000 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C35 1.524(8) . ?
C28 C29 1.541(8) . ?
C28 C36 1.542(8) . ?
C29 C30 1.547(9) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.496(12) . ?
C30 C37 1.527(14) . ?
C30 H30 1.0000 . ?
C31 C32 1.518(11) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.503(11) . ?
C32 C36 1.527(9) . ?
C32 H32 1.0000 . ?
C33 C34 1.528(12) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C37 1.529(14) . ?
C34 C35 1.546(9) . ?
C34 H34 1.0000 . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
Sb1 F5 1.866(4) . ?
Sb1 F6 1.870(5) . ?
Sb1 F4 1.870(4) . ?
Sb1 F3 1.872(4) . ?
Sb1 F2 1.878(4) . ?
Sb1 F1 1.879(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Au1 C2 36.7(3) . . ?
C1 Au1 P1 171.6(2) . . ?
C2 Au1 P1 135.16(19) . . ?
C1 Au1 N1 106.9(2) . . ?
C2 Au1 N1 143.0(2) . . ?
P1 Au1 N1 81.42(12) . . ?
C10 P1 C18 107.0(2) . . ?
C10 P1 C28 106.6(3) . . ?
C18 P1 C28 115.8(3) . . ?
C10 P1 Au1 104.10(19) . . ?
C18 P1 Au1 112.64(18) . . ?
C28 P1 Au1 109.80(19) . . ?
C6 O1 C9 116.0(7) . . ?
C11 N1 C16 110.1(5) . . ?
C11 N1 C17 111.9(5) . . ?
C16 N1 C17 110.6(5) . . ?
C11 N1 Au1 113.0(4) . . ?
C16 N1 Au1 103.1(4) . . ?
C17 N1 Au1 107.7(4) . . ?
C2 C1 Au1 74.8(4) . . ?
C2 C1 H1A 117(5) . . ?
Au1 C1 H1A 114(5) . . ?
C2 C1 H1B 124(5) . . ?
Au1 C1 H1B 110(5) . . ?
H1A C1 H1B 111(7) . . ?
C1 C2 C3 126.6(6) . . ?
C1 C2 Au1 68.5(3) . . ?
C3 C2 Au1 116.2(4) . . ?
C1 C2 H2 115(5) . . ?
C3 C2 H2 113(4) . . ?
Au1 C2 H2 107(4) . . ?
C4 C3 C8 117.1(7) . . ?
C4 C3 C2 119.5(6) . . ?
C8 C3 C2 123.4(6) . . ?
C3 C4 C5 122.3(7) . . ?
C3 C4 H4 118.8 . . ?
C5 C4 H4 118.8 . . ?
C6 C5 C4 119.3(7) . . ?
C6 C5 H5 120.4 . . ?
C4 C5 H5 120.4 . . ?
O1 C6 C5 124.7(7) . . ?
O1 C6 C7 115.3(7) . . ?
C5 C6 C7 120.0(7) . . ?
C8 C7 C6 120.0(7) . . ?
C8 C7 H7 120.0 . . ?
C6 C7 H7 120.0 . . ?
C7 C8 C3 121.3(7) . . ?
C7 C8 H8 119.4 . . ?
C3 C8 H8 119.4 . . ?
O1 C9 H9A 109.5 . . ?
O1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
O1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 C15 119.1(5) . . ?
C11 C10 P1 119.5(4) . . ?
C15 C10 P1 121.3(5) . . ?
C10 C11 C12 119.1(6) . . ?
C10 C11 N1 121.8(5) . . ?
C12 C11 N1 119.1(6) . . ?
C13 C12 C11 121.3(6) . . ?
C13 C12 H12 119.3 . . ?
C11 C12 H12 119.3 . . ?
C12 C13 C14 119.7(6) . . ?
C12 C13 H13 120.1 . . ?
C14 C13 H13 120.1 . . ?
C15 C14 C13 119.8(6) . . ?
C15 C14 H14 120.1 . . ?
C13 C14 H14 120.1 . . ?
C14 C15 C10 120.9(6) . . ?
C14 C15 H15 119.6 . . ?
C10 C15 H15 119.6 . . ?
N1 C16 H16A 109.5 . . ?
N1 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
N1 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N1 C17 H17A 109.5 . . ?
N1 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
N1 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C26 C18 C25 107.9(5) . . ?
C26 C18 C19 109.4(5) . . ?
C25 C18 C19 108.1(5) . . ?
C26 C18 P1 116.2(4) . . ?
C25 C18 P1 106.9(4) . . ?
C19 C18 P1 108.0(4) . . ?
C20 C19 C18 110.0(5) . . ?
C20 C19 H19A 109.7 . . ?
C18 C19 H19A 109.7 . . ?
C20 C19 H19B 109.7 . . ?
C18 C19 H19B 109.7 . . ?
H19A C19 H19B 108.2 . . ?
C27 C20 C21 111.2(7) . . ?
C27 C20 C19 109.9(6) . . ?
C21 C20 C19 108.5(6) . . ?
C27 C20 H20 109.0 . . ?
C21 C20 H20 109.0 . . ?
C19 C20 H20 109.0 . . ?
C20 C21 C22 108.8(6) . . ?
C20 C21 H21A 109.9 . . ?
C22 C21 H21A 109.9 . . ?
C20 C21 H21B 109.9 . . ?
C22 C21 H21B 109.9 . . ?
H21A C21 H21B 108.3 . . ?
C23 C22 C21 110.2(6) . . ?
C23 C22 C26 109.0(6) . . ?
C21 C22 C26 109.9(6) . . ?
C23 C22 H22 109.2 . . ?
C21 C22 H22 109.2 . . ?
C26 C22 H22 109.2 . . ?
C24 C23 C22 108.5(6) . . ?
C24 C23 H23A 110.0 . . ?
C22 C23 H23A 110.0 . . ?
C24 C23 H23B 110.0 . . ?
C22 C23 H23B 110.0 . . ?
H23A C23 H23B 108.4 . . ?
C27 C24 C23 110.4(7) . . ?
C27 C24 C25 109.3(6) . . ?
C23 C24 C25 109.9(5) . . ?
C27 C24 H24 109.1 . . ?
C23 C24 H24 109.1 . . ?
C25 C24 H24 109.1 . . ?
C24 C25 C18 110.0(6) . . ?
C24 C25 H25A 109.7 . . ?
C18 C25 H25A 109.7 . . ?
C24 C25 H25B 109.7 . . ?
C18 C25 H25B 109.7 . . ?
H25A C25 H25B 108.2 . . ?
C18 C26 C22 109.9(5) . . ?
C18 C26 H26A 109.7 . . ?
C22 C26 H26A 109.7 . . ?
C18 C26 H26B 109.7 . . ?
C22 C26 H26B 109.7 . . ?
H26A C26 H26B 108.2 . . ?
C20 C27 C24 109.3(6) . . ?
C20 C27 H27A 109.8 . . ?
C24 C27 H27A 109.8 . . ?
C20 C27 H27B 109.8 . . ?
C24 C27 H27B 109.8 . . ?
H27A C27 H27B 108.3 . . ?
C35 C28 C29 110.5(6) . . ?
C35 C28 C36 108.5(5) . . ?
C29 C28 C36 107.3(5) . . ?
C35 C28 P1 115.5(4) . . ?
C29 C28 P1 106.9(4) . . ?
C36 C28 P1 107.9(4) . . ?
C28 C29 C30 109.1(5) . . ?
C28 C29 H29A 109.9 . . ?
C30 C29 H29A 109.9 . . ?
C28 C29 H29B 109.9 . . ?
C30 C29 H29B 109.9 . . ?
H29A C29 H29B 108.3 . . ?
C31 C30 C37 109.6(7) . . ?
C31 C30 C29 110.5(7) . . ?
C37 C30 C29 108.1(7) . . ?
C31 C30 H30 109.5 . . ?
C37 C30 H30 109.5 . . ?
C29 C30 H30 109.5 . . ?
C30 C31 C32 109.9(6) . . ?
C30 C31 H31A 109.7 . . ?
C32 C31 H31A 109.7 . . ?
C30 C31 H31B 109.7 . . ?
C32 C31 H31B 109.7 . . ?
H31A C31 H31B 108.2 . . ?
C33 C32 C31 110.9(7) . . ?
C33 C32 C36 109.9(6) . . ?
C31 C32 C36 108.2(6) . . ?
C33 C32 H32 109.3 . . ?
C31 C32 H32 109.3 . . ?
C36 C32 H32 109.3 . . ?
C32 C33 C34 109.2(6) . . ?
C32 C33 H33A 109.8 . . ?
C34 C33 H33A 109.8 . . ?
C32 C33 H33B 109.8 . . ?
C34 C33 H33B 109.8 . . ?
H33A C33 H33B 108.3 . . ?
C33 C34 C37 109.2(7) . . ?
C33 C34 C35 109.7(7) . . ?
C37 C34 C35 108.5(7) . . ?
C33 C34 H34 109.8 . . ?
C37 C34 H34 109.8 . . ?
C35 C34 H34 109.8 . . ?
C28 C35 C34 109.6(6) . . ?
C28 C35 H35A 109.7 . . ?
C34 C35 H35A 109.7 . . ?
C28 C35 H35B 109.7 . . ?
C34 C35 H35B 109.7 . . ?
H35A C35 H35B 108.2 . . ?
C32 C36 C28 110.9(5) . . ?
C32 C36 H36A 109.5 . . ?
C28 C36 H36A 109.5 . . ?
C32 C36 H36B 109.5 . . ?
C28 C36 H36B 109.5 . . ?
H36A C36 H36B 108.0 . . ?
C30 C37 C34 110.6(7) . . ?
C30 C37 H37A 109.5 . . ?
C34 C37 H37A 109.5 . . ?
C30 C37 H37B 109.5 . . ?
C34 C37 H37B 109.5 . . ?
H37A C37 H37B 108.1 . . ?
F5 Sb1 F6 179.1(3) . . ?
F5 Sb1 F4 90.4(3) . . ?
F6 Sb1 F4 90.2(3) . . ?
F5 Sb1 F3 89.8(2) . . ?
F6 Sb1 F3 90.7(2) . . ?
F4 Sb1 F3 91.2(2) . . ?
F5 Sb1 F2 89.1(3) . . ?
F6 Sb1 F2 90.2(3) . . ?
F4 Sb1 F2 178.7(2) . . ?
F3 Sb1 F2 90.0(2) . . ?
F5 Sb1 F1 90.6(2) . . ?
F6 Sb1 F1 88.9(2) . . ?
F4 Sb1 F1 89.7(2) . . ?
F3 Sb1 F1 179.0(2) . . ?
F2 Sb1 F1 89.1(2) . . ?

_refine_diff_density_max         1.786
_refine_diff_density_min         -0.803
_refine_diff_density_rms         0.104

