# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 1021795'
_audit_update_record             
;
2017-09-05 deposited with the CCDC.
2017-09-12 downloaded from the CCDC.
;
_audit_creation_date             2017-07-28
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.08.25 svn.r3337 for OlexSys, GUI svn.r5221)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C138 H108 Au11 N6 P8, 5(B F4)'
_chemical_formula_sum            'C138 H108 Au11 B5 F20 N6 P8'
_chemical_formula_weight         4698.74
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      trigonal
_space_group_IT_number           155
_space_group_name_H-M_alt        'R 3 2'
_space_group_name_Hall           'R 3 2"'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x-y, -y, -z'
'-x, -x+y, -z'
'y, x, -z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x-y+2/3, -y+1/3, -z+1/3'
'-x+2/3, -x+y+1/3, -z+1/3'
'y+2/3, x+1/3, -z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'x-y+1/3, -y+2/3, -z+2/3'
'-x+1/3, -x+y+2/3, -z+2/3'
'y+1/3, x+2/3, -z+2/3'

_cell_length_a                   26.6485(13)
_cell_length_b                   26.6485(13)
_cell_length_c                   22.8335(19)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     14042.6(18)
_cell_formula_units_Z            3
_cell_measurement_temperature    173.00(14)
_cell_measurement_reflns_used    3401
_cell_measurement_theta_min      3.0680
_cell_measurement_theta_max      26.1800
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    8.708
_exptl_absorpt_correction_T_min  0.47791
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.7e (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.667
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             6516
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0357
_diffrn_reflns_av_unetI/netI     0.0523
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            11116
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         2.939
_diffrn_ambient_temperature      173.00(14)
_diffrn_detector_area_resol_mean 16.1903
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_reflns_Friedel_coverage         0.870
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                4537
_reflns_number_total             5519
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         2.239
_refine_diff_density_min         -2.834
_refine_diff_density_rms         0.205
_refine_ls_abs_structure_details 
;
 Flack x determined using 1786 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.504(8)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     228
_refine_ls_number_reflns         5519
_refine_ls_number_restraints     189
_refine_ls_R_factor_all          0.0693
_refine_ls_R_factor_gt           0.0560
_refine_ls_restrained_S_all      1.054
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1103P)²+28.0450P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1593
_refine_ls_wR_factor_ref         0.1704
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 B2-F3 = B2-F4 = B2-F5 = B2-F6
 1.35 with sigma of 0.02
 F3-F4 = F3-F5 = F3-F6 = F4-F5 = F4-F6 = F5-F6
 2.25 with sigma of 0.02
3. Restrained planarity
 Au1, P1, N1, C13, C14, C15, C16, C17
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
F1 \\sim F2 \\sim B1: within 2A with sigma of 0.001 and sigma for terminal
atoms of 0.002
Au1 \\sim P1 \\sim N1 \\sim C13 \\sim C14 \\sim C15 \\sim C16 \\sim C17: within
2A with sigma of 0.001 and sigma for terminal atoms of 0.002
P1 \\sim C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6: within 2A with sigma
of 0.001 and sigma for terminal atoms of 0.002
P1 \\sim C7 \\sim C8 \\sim C9 \\sim C10 \\sim C11 \\sim C12: within 2A with
sigma of 0.001 and sigma for terminal atoms of 0.002
P2 \\sim C18 \\sim C19 \\sim C20 \\sim C21 \\sim C22 \\sim C23: within 2A with
sigma of 0.001 and sigma for terminal atoms of 0.002
F3 \\sim F4 \\sim F5 \\sim F6 \\sim B2: within 2A with sigma of 0.001 and sigma
for terminal atoms of 0.002
5. Others
 Fixed Sof: F3(0.33333) F4(0.33333) F5(0.33333) F6(0.33333) B2(0.33333)
6.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C12(H12), C11(H11), C10(H10), C9(H9),
 C8(H8), C14(H14), C15(H15), C16(H16), C23(H23), C22(H22), C21(H21), C20(H20),
 C19(H19)
6.b Fitted hexagon refined as free rotating group:
 C1(C2,C3,C4,C5,C6), C7(C12,C11,C10,C9,C8), C17(N1,C13,C14,C15,C16), C18(C23,
 C22,C21,C20,C19)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.00348(3) 0.07392(3) 0.43129(4) 0.0446(3) Uani 1 1 d . U . . .
Au2 Au 0.0000 0.17054(4) 0.5000 0.0494(4) Uani 1 2 d S T P . .
Au3 Au 0.0000 0.0000 0.34603(10) 0.0840(7) Uani 1 3 d S T P . .
P1 P -0.0695(3) 0.1411(3) 0.4260(3) 0.0534(10) Uani 1 1 d . U . . .
P2 P 0.0000 0.0000 0.2475(7) 0.087(3) Uani 1 3 d S TU P . .
C1 C -0.0402(6) 0.1599(6) 0.3523(5) 0.0568(14) Uani 1 1 d . U . . .
C2 C 0.0132(6) 0.2099(6) 0.3453(6) 0.0580(16) Uani 1 1 d G U . . .
H2 H 0.0325 0.2326 0.3777 0.070 Uiso 1 1 calc R . . . .
C3 C 0.0378(5) 0.2260(5) 0.2899(7) 0.0591(17) Uani 1 1 d G U . . .
H3 H 0.0736 0.2594 0.2852 0.071 Uiso 1 1 calc R . . . .
C4 C 0.0090(6) 0.1921(6) 0.2416(5) 0.0598(17) Uani 1 1 d G U . . .
H4 H 0.0254 0.2028 0.2045 0.072 Uiso 1 1 calc R . . . .
C5 C -0.0445(6) 0.1421(6) 0.2486(5) 0.0597(17) Uani 1 1 d G U . . .
H5 H -0.0638 0.1194 0.2162 0.072 Uiso 1 1 calc R . . . .
C6 C -0.0691(5) 0.1260(5) 0.3040(7) 0.0589(16) Uani 1 1 d G U . . .
H6 H -0.1048 0.0925 0.3087 0.071 Uiso 1 1 calc R . . . .
C7 C -0.1186(6) 0.1687(7) 0.4323(7) 0.0552(13) Uani 1 1 d . U . . .
C12 C -0.1411(6) 0.1686(7) 0.4873(6) 0.0559(16) Uani 1 1 d G U . . .
H12 H -0.1299 0.1554 0.5197 0.067 Uiso 1 1 calc R . . . .
C11 C -0.1802(6) 0.1883(7) 0.4939(5) 0.0564(17) Uani 1 1 d G U . . .
H11 H -0.1952 0.1882 0.5307 0.068 Uiso 1 1 calc R . . . .
C10 C -0.1969(6) 0.2081(7) 0.4455(7) 0.0567(17) Uani 1 1 d G U . . .
H10 H -0.2231 0.2213 0.4499 0.068 Uiso 1 1 calc R . . . .
C9 C -0.1744(6) 0.2082(7) 0.3905(6) 0.0568(17) Uani 1 1 d G U . . .
H9 H -0.1856 0.2215 0.3582 0.068 Uiso 1 1 calc R . . . .
C8 C -0.1353(6) 0.1886(7) 0.3839(5) 0.0564(16) Uani 1 1 d G U . . .
H8 H -0.1203 0.1886 0.3471 0.068 Uiso 1 1 calc R . . . .
C17 C -0.1166(5) -0.0263(5) 0.4237(6) 0.0523(16) Uani 1 1 d . U . . .
N1 N -0.0852(4) 0.0339(5) 0.4257(3) 0.0525(15) Uani 1 1 d G U . . .
C13 C -0.1138(5) 0.0655(4) 0.4230(5) 0.0527(13) Uani 1 1 d G U . . .
C14 C -0.1738(5) 0.0368(5) 0.4183(6) 0.0525(15) Uani 1 1 d G U . . .
H14 H -0.1929 0.0580 0.4165 0.063 Uiso 1 1 calc R . . . .
C15 C -0.2052(4) -0.0233(5) 0.4163(6) 0.0526(16) Uani 1 1 d G U . . .
H15 H -0.2454 -0.0425 0.4132 0.063 Uiso 1 1 calc R . . . .
C16 C -0.1767(5) -0.0549(4) 0.4190(7) 0.0526(16) Uani 1 1 d G U . . .
H16 H -0.1977 -0.0952 0.4176 0.063 Uiso 1 1 calc R . . . .
C18 C -0.0639(7) -0.0005(10) 0.2209(9) 0.088(3) Uani 1 1 d . U . . .
C23 C -0.1136(9) -0.0260(9) 0.2553(7) 0.088(3) Uani 1 1 d G U . . .
H23 H -0.1133 -0.0422 0.2913 0.106 Uiso 1 1 calc R . . . .
C22 C -0.1636(7) -0.0272(9) 0.2360(9) 0.089(3) Uani 1 1 d G U . . .
H22 H -0.1968 -0.0443 0.2591 0.106 Uiso 1 1 calc R . . . .
C21 C -0.1641(7) -0.0029(9) 0.1823(9) 0.089(3) Uani 1 1 d G U . . .
H21 H -0.1976 -0.0037 0.1694 0.106 Uiso 1 1 calc R . . . .
C20 C -0.1144(9) 0.0226(9) 0.1478(7) 0.089(3) Uani 1 1 d G U . . .
H20 H -0.1147 0.0388 0.1119 0.107 Uiso 1 1 calc R . . . .
C19 C -0.0644(7) 0.0238(9) 0.1671(9) 0.088(3) Uani 1 1 d G U . . .
H19 H -0.0311 0.0408 0.1440 0.106 Uiso 1 1 calc R . . . .
F1 F -0.1474(9) 0.1594(9) 0.6278(8) 0.096(4) Uiso 1 1 d . U . . .
F2 F -0.2376(9) 0.1328(9) 0.6381(10) 0.105(4) Uiso 1 1 d . U . . .
B1 B -0.190(3) 0.144(3) 0.6667 0.100(4) Uiso 1 2 d S TU P . .
F3 F -0.336(3) -0.013(3) 0.5207(17) 0.152(12) Uiso 0.3333 1 d D U . . .
F4 F -0.322(3) -0.047(3) 0.437(3) 0.153(12) Uiso 0.3333 1 d D U . . .
F5 F -0.3953(19) -0.030(3) 0.444(3) 0.153(12) Uiso 0.3333 1 d D U . . .
F6 F -0.306(3) 0.045(2) 0.440(3) 0.151(12) Uiso 0.3333 1 d D U . . .
B2 B -0.339(2) -0.011(2) 0.461(2) 0.152(12) Uiso 0.3333 1 d D 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 Au1 3.3343(13) 3 ?
Au1 Au1 3.3344(13) 2 ?
Au1 Au1 3.1419(18) 5_556 ?
Au1 Au2 3.0561(13) . ?
Au1 Au3 2.7378(18) . ?
Au1 C17 2.012(9) 3 ?
Au1 N1 2.053(9) . ?
Au2 Au1 3.0560(13) 5_556 ?
Au2 P1 2.333(6) . ?
Au2 P1 2.333(6) 5_556 ?
Au3 Au1 2.7379(18) 3 ?
Au3 Au1 2.7379(18) 2 ?
Au3 P2 2.250(17) . ?
P1 C1 1.816(12) . ?
P1 C7 1.800(10) . ?
P1 C13 1.756(11) . ?
P2 C18 1.803(16) 2 ?
P2 C18 1.803(16) 3 ?
P2 C18 1.803(16) . ?
C1 C2 1.3900 . ?
C1 C6 1.3900 . ?
C2 H2 0.9300 . ?
C2 C3 1.3900 . ?
C3 H3 0.9300 . ?
C3 C4 1.3900 . ?
C4 H4 0.9300 . ?
C4 C5 1.3900 . ?
C5 H5 0.9300 . ?
C5 C6 1.3900 . ?
C6 H6 0.9300 . ?
C7 C12 1.3900 . ?
C7 C8 1.3900 . ?
C12 H12 0.9300 . ?
C12 C11 1.3900 . ?
C11 H11 0.9300 . ?
C11 C10 1.3900 . ?
C10 H10 0.9300 . ?
C10 C9 1.3900 . ?
C9 H9 0.9300 . ?
C9 C8 1.3900 . ?
C8 H8 0.9300 . ?
C17 Au1 2.012(9) 2 ?
C17 N1 1.3900 . ?
C17 C16 1.3900 . ?
N1 C13 1.3900 . ?
C13 C14 1.3900 . ?
C14 H14 0.9300 . ?
C14 C15 1.3900 . ?
C15 H15 0.9300 . ?
C15 C16 1.3900 . ?
C16 H16 0.9300 . ?
C18 C23 1.3900 . ?
C18 C19 1.3900 . ?
C23 H23 0.9300 . ?
C23 C22 1.3900 . ?
C22 H22 0.9300 . ?
C22 C21 1.3900 . ?
C21 H21 0.9300 . ?
C21 C20 1.3900 . ?
C20 H20 0.9300 . ?
C20 C19 1.3900 . ?
C19 H19 0.9300 . ?
F1 B1 1.33(4) . ?
F2 B1 1.33(4) . ?
B1 F1 1.33(4) 12_456 ?
B1 F2 1.33(4) 12_456 ?
F3 F3 1.12(9) 4_556 ?
F3 F6 1.16(9) 4_556 ?
F3 B2 0.70(10) 4_556 ?
F3 B2 1.38(3) . ?
F4 B2 1.37(3) . ?
F5 B2 1.37(3) . ?
F6 F3 1.16(9) 4_556 ?
F6 B2 1.37(3) . ?
B2 F3 0.70(10) 4_556 ?
B2 B2 1.87(9) 4_556 ?

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
Au1 Au1 Au1 60.0 3 2 ?
Au1 Au1 Au1 88.432(16) 5_556 2 ?
Au1 Au1 Au1 91.358(12) 5_556 3 ?
Au2 Au1 Au1 135.25(3) . 2 ?
Au2 Au1 Au1 59.07(2) . 5_556 ?
Au2 Au1 Au1 140.56(3) . 3 ?
Au3 Au1 Au1 52.49(3) . 3 ?
Au3 Au1 Au1 135.12(4) . 5_556 ?
Au3 Au1 Au1 52.49(3) . 2 ?
Au3 Au1 Au2 165.21(5) . . ?
C17 Au1 Au1 97.9(4) 3 5_556 ?
C17 Au1 Au1 62.0(3) 3 3 ?
C17 Au1 Au1 121.7(3) 3 2 ?
C17 Au1 Au2 94.5(3) 3 . ?
C17 Au1 Au3 87.8(4) 3 . ?
C17 Au1 N1 171.1(5) 3 . ?
N1 Au1 Au1 90.6(2) . 5_556 ?
N1 Au1 Au1 120.7(3) . 3 ?
N1 Au1 Au1 60.9(3) . 2 ?
N1 Au1 Au2 87.6(3) . . ?
N1 Au1 Au3 88.0(3) . . ?
Au1 Au2 Au1 61.87(4) 5_556 . ?
P1 Au2 Au1 113.94(16) 5_556 . ?
P1 Au2 Au1 72.46(14) . . ?
P1 Au2 Au1 72.46(14) 5_556 5_556 ?
P1 Au2 Au1 113.94(16) . 5_556 ?
P1 Au2 P1 173.0(3) . 5_556 ?
Au1 Au3 Au1 75.03(6) . 2 ?
Au1 Au3 Au1 75.03(6) 3 2 ?
Au1 Au3 Au1 75.02(6) . 3 ?
P2 Au3 Au1 135.32(4) . . ?
P2 Au3 Au1 135.32(4) . 3 ?
P2 Au3 Au1 135.32(4) . 2 ?
C1 P1 Au2 114.8(5) . . ?
C7 P1 Au2 115.0(6) . . ?
C7 P1 C1 105.1(7) . . ?
C13 P1 Au2 112.3(5) . . ?
C13 P1 C1 103.2(7) . . ?
C13 P1 C7 105.3(7) . . ?
C18 P2 Au3 109.7(9) . . ?
C18 P2 Au3 109.7(9) 2 . ?
C18 P2 Au3 109.7(9) 3 . ?
C18 P2 C18 109.2(9) 2 . ?
C18 P2 C18 109.2(9) 2 3 ?
C18 P2 C18 109.2(9) . 3 ?
C2 C1 P1 117.6(9) . . ?
C2 C1 C6 120.0 . . ?
C6 C1 P1 122.4(9) . . ?
C1 C2 H2 120.0 . . ?
C1 C2 C3 120.0 . . ?
C3 C2 H2 120.0 . . ?
C2 C3 H3 120.0 . . ?
C4 C3 C2 120.0 . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 120.0 . . ?
C3 C4 C5 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 120.0 . . ?
C6 C5 C4 120.0 . . ?
C6 C5 H5 120.0 . . ?
C1 C6 H6 120.0 . . ?
C5 C6 C1 120.0 . . ?
C5 C6 H6 120.0 . . ?
C12 C7 P1 118.1(8) . . ?
C12 C7 C8 120.0 . . ?
C8 C7 P1 121.9(8) . . ?
C7 C12 H12 120.0 . . ?
C7 C12 C11 120.0 . . ?
C11 C12 H12 120.0 . . ?
C12 C11 H11 120.0 . . ?
C10 C11 C12 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C10 H10 120.0 . . ?
C11 C10 C9 120.0 . . ?
C9 C10 H10 120.0 . . ?
C10 C9 H9 120.0 . . ?
C8 C9 C10 120.0 . . ?
C8 C9 H9 120.0 . . ?
C7 C8 H8 120.0 . . ?
C9 C8 C7 120.0 . . ?
C9 C8 H8 120.0 . . ?
N1 C17 Au1 118.7(6) . 2 ?
N1 C17 C16 120.0 . . ?
C16 C17 Au1 121.2(6) . 2 ?
C17 N1 Au1 118.4(6) . . ?
C13 N1 Au1 121.6(6) . . ?
C13 N1 C17 120.0 . . ?
N1 C13 P1 115.9(7) . . ?
N1 C13 C14 120.0 . . ?
C14 C13 P1 124.1(7) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 C13 120.0 . . ?
C15 C14 H14 120.0 . . ?
C14 C15 H15 120.0 . . ?
C14 C15 C16 120.0 . . ?
C16 C15 H15 120.0 . . ?
C17 C16 H16 120.0 . . ?
C15 C16 C17 120.0 . . ?
C15 C16 H16 120.0 . . ?
C23 C18 P2 118.5(13) . . ?
C23 C18 C19 120.0 . . ?
C19 C18 P2 121.5(13) . . ?
C18 C23 H23 120.0 . . ?
C22 C23 C18 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C22 H22 120.0 . . ?
C21 C22 C23 120.0 . . ?
C21 C22 H22 120.0 . . ?
C22 C21 H21 120.0 . . ?
C20 C21 C22 120.0 . . ?
C20 C21 H21 120.0 . . ?
C21 C20 H20 120.0 . . ?
C21 C20 C19 120.0 . . ?
C19 C20 H20 120.0 . . ?
C18 C19 H19 120.0 . . ?
C20 C19 C18 120.0 . . ?
C20 C19 H19 120.0 . . ?
F1 B1 F1 108(5) . 12_456 ?
F1 B1 F2 112.0(13) . 12_456 ?
F1 B1 F2 112.0(13) 12_456 . ?
F1 B1 F2 108.2(13) 12_456 12_456 ?
F1 B1 F2 108.2(13) . . ?
F2 B1 F2 108(5) 12_456 . ?
F3 F3 F6 172(10) 4_556 4_556 ?
F3 F3 B2 30(5) 4_556 . ?
F6 F3 B2 143(5) 4_556 . ?
B2 F3 F3 96(10) 4_556 4_556 ?
B2 F3 F6 92(8) 4_556 4_556 ?
B2 F3 B2 125(7) 4_556 . ?
F3 F6 B2 31(5) 4_556 . ?
F3 B2 F3 54(7) 4_556 . ?
F3 B2 F4 128(6) 4_556 . ?
F3 B2 F5 124(6) 4_556 . ?
F3 B2 F6 58(7) 4_556 . ?
F3 B2 B2 37(5) 4_556 4_556 ?
F3 B2 B2 18(3) . 4_556 ?
F4 B2 F3 108(2) . . ?
F4 B2 F5 108(2) . . ?
F4 B2 B2 123(3) . 4_556 ?
F5 B2 F3 110(2) . . ?
F5 B2 B2 111(3) . 4_556 ?
F6 B2 F3 112(3) . . ?
F6 B2 F4 111(3) . . ?
F6 B2 F5 108(2) . . ?
F6 B2 B2 95(4) . 4_556 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 C17 N1 Au1 3.7(7) 2 . . . ?
Au1 C17 N1 C13 -177.3(8) 2 . . . ?
Au1 C17 C16 C15 177.3(8) 2 . . . ?
Au1 N1 C13 P1 -1.1(8) . . . . ?
Au1 N1 C13 C14 179.0(4) . . . . ?
Au2 P1 C1 C2 -30.4(10) . . . . ?
Au2 P1 C1 C6 149.0(7) . . . . ?
Au2 P1 C7 C12 -43.1(10) . . . . ?
Au2 P1 C7 C8 138.4(7) . . . . ?
Au2 P1 C13 N1 -46.2(7) . . . . ?
Au2 P1 C13 C14 133.7(4) . . . . ?
Au3 P2 C18 C23 -28.4(13) . . . . ?
Au3 P2 C18 C19 151.7(10) . . . . ?
P1 C1 C2 C3 179.4(11) . . . . ?
P1 C1 C6 C5 -179.4(12) . . . . ?
P1 C7 C12 C11 -178.5(12) . . . . ?
P1 C7 C8 C9 178.5(12) . . . . ?
P1 C13 C14 C15 -179.9(8) . . . . ?
P2 C18 C23 C22 -179.9(17) . . . . ?
P2 C18 C19 C20 179.9(17) . . . . ?
C1 P1 C7 C12 -170.3(9) . . . . ?
C1 P1 C7 C8 11.2(11) . . . . ?
C1 P1 C13 N1 78.0(8) . . . . ?
C1 P1 C13 C14 -102.1(6) . . . . ?
C1 C2 C3 C4 0.0 . . . . ?
C2 C1 C6 C5 0.0 . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
C3 C4 C5 C6 0.0 . . . . ?
C4 C5 C6 C1 0.0 . . . . ?
C6 C1 C2 C3 0.0 . . . . ?
C7 P1 C1 C2 96.9(10) . . . . ?
C7 P1 C1 C6 -83.7(10) . . . . ?
C7 P1 C13 N1 -172.0(7) . . . . ?
C7 P1 C13 C14 7.9(7) . . . . ?
C7 C12 C11 C10 0.0 . . . . ?
C12 C7 C8 C9 0.0 . . . . ?
C12 C11 C10 C9 0.0 . . . . ?
C11 C10 C9 C8 0.0 . . . . ?
C10 C9 C8 C7 0.0 . . . . ?
C8 C7 C12 C11 0.0 . . . . ?
C17 N1 C13 P1 179.9(7) . . . . ?
C17 N1 C13 C14 0.0 . . . . ?
N1 C17 C16 C15 0.0 . . . . ?
N1 C13 C14 C15 0.0 . . . . ?
C13 P1 C1 C2 -152.9(8) . . . . ?
C13 P1 C1 C6 26.5(10) . . . . ?
C13 P1 C7 C12 81.0(9) . . . . ?
C13 P1 C7 C8 -97.5(9) . . . . ?
C13 C14 C15 C16 0.0 . . . . ?
C14 C15 C16 C17 0.0 . . . . ?
C16 C17 N1 Au1 -179.0(4) . . . . ?
C16 C17 N1 C13 0.0 . . . . ?
C18 P2 C18 C23 -148.8(14) 3 . . . ?
C18 P2 C18 C23 91.9(19) 2 . . . ?
C18 P2 C18 C19 31.4(17) 3 . . . ?
C18 P2 C18 C19 -88.0(11) 2 . . . ?
C18 C23 C22 C21 0.0 . . . . ?
C23 C18 C19 C20 0.0 . . . . ?
C23 C22 C21 C20 0.0 . . . . ?
C22 C21 C20 C19 0.0 . . . . ?
C21 C20 C19 C18 0.0 . . . . ?
C19 C18 C23 C22 0.0 . . . . ?
F3 F3 B2 F4 124(6) 4_556 . . . ?
F3 F3 B2 F5 -118(6) 4_556 . . . ?
F3 F3 B2 F6 1(5) 4_556 . . . ?
F3 F3 B2 B2 -21(14) 4_556 . . 4_556 ?
F3 F6 B2 F3 -1(5) 4_556 . . . ?
F3 F6 B2 F4 -122(6) 4_556 . . . ?
F3 F6 B2 F5 119(6) 4_556 . . . ?
F3 F6 B2 B2 5(7) 4_556 . . 4_556 ?
F6 F3 B2 F3 -174(8) 4_556 . . 4_556 ?
F6 F3 B2 F4 -50(13) 4_556 . . . ?
F6 F3 B2 F5 68(13) 4_556 . . . ?
F6 F3 B2 F6 -173(12) 4_556 . . . ?
F6 F3 B2 B2 165(19) 4_556 . . 4_556 ?
B2 F3 B2 F3 21(14) 4_556 . . 4_556 ?
B2 F3 B2 F4 145(9) 4_556 . . . ?
B2 F3 B2 F5 -97(9) 4_556 . . . ?
B2 F3 B2 F6 22(10) 4_556 . . . ?

_shelx_SHELXL_version_number     2014/7

_olex2_submission_special_instructions 'No special instructions were received'

# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.007 -0.004 -0.002 4654 805 ' '
2 0.000 0.643 0.000 7 1 ' '
3 0.024 0.691 0.333 9 2 ' '
4 -0.024 0.667 0.667 9 1 ' '
5 0.309 0.333 0.333 8 1 ' '
6 0.333 0.309 0.667 8 1 ' '
7 0.357 0.357 0.000 9 2 ' '
8 0.643 1.000 0.000 7 1 ' '
9 0.667 0.976 0.333 9 1 ' '
10 0.690 0.024 0.667 9 2 ' '
_platon_squeeze_details          
;
;

#==================================END
####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 790855'
_audit_update_record             
;
2017-09-05 deposited with the CCDC.
2017-09-12 downloaded from the CCDC.
;
_audit_creation_date             2017-07-28
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.08.25 svn.r3337 for OlexSys, GUI svn.r5221)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C102 H78 Au9 N6 P6, 3(B F4)'
_chemical_formula_sum            'C102 H78 Au9 B3 F12 N6 P6'
_chemical_formula_weight         3606.65
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           33
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x+1/2, y+1/2, z+1/2'
'x+1/2, -y+1/2, z'

_cell_length_a                   24.8293(3)
_cell_length_b                   19.8167(2)
_cell_length_c                   27.5843(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     13572.4(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    173.00(14)
_cell_measurement_reflns_used    14731
_cell_measurement_theta_min      3.2560
_cell_measurement_theta_max      62.1100
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    18.913
_exptl_absorpt_correction_T_min  0.38214
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.7e (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.765
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             6624
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0425
_diffrn_reflns_av_unetI/netI     0.0550
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            28481
_diffrn_reflns_point_group_measured_fraction_full 0.750
_diffrn_reflns_point_group_measured_fraction_max 0.750
_diffrn_reflns_theta_full        62.082
_diffrn_reflns_theta_max         62.082
_diffrn_reflns_theta_min         3.204
_diffrn_ambient_temperature      173.00(14)
_diffrn_detector_area_resol_mean 16.1903
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_reflns_Friedel_coverage         0.479
_reflns_Friedel_fraction_full    0.498
_reflns_Friedel_fraction_max     0.498
_reflns_number_gt                15205
_reflns_number_total             16067
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         3.480
_refine_diff_density_min         -3.223
_refine_diff_density_rms         0.236
_refine_ls_abs_structure_details 
;
 Flack x determined using 4357 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.200(18)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     952
_refine_ls_number_reflns         16067
_refine_ls_number_restraints     763
_refine_ls_R_factor_all          0.0708
_refine_ls_R_factor_gt           0.0688
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1261P)²+42.2146P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1826
_refine_ls_wR_factor_ref         0.1854
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
P6 \\sim C611 \\sim C612 \\sim C613 \\sim C614 \\sim C615 \\sim C616: within 2A
with sigma of 0.001 and sigma for terminal atoms of 0.002
P3 \\sim C311 \\sim C312 \\sim C313 \\sim C314 \\sim C315 \\sim C316: within 2A
with sigma of 0.001 and sigma for terminal atoms of 0.002
P5 \\sim C521 \\sim C522 \\sim C523 \\sim C524 \\sim C525 \\sim C526: within 2A
with sigma of 0.001 and sigma for terminal atoms of 0.002
P1 \\sim C121 \\sim C122 \\sim C123 \\sim C124 \\sim C125 \\sim C126: within 2A
with sigma of 0.001 and sigma for terminal atoms of 0.002
Au4 \\sim Au5 \\sim N236 \\sim C231 \\sim C232 \\sim C233 \\sim C234 \\sim
C235: within 2A with sigma of 0.001 and sigma for terminal atoms of 0.002
P2 \\sim C221 \\sim C222 \\sim C223 \\sim C224 \\sim C225 \\sim C226: within 2A
with sigma of 0.001 and sigma for terminal atoms of 0.002
P4 \\sim C411 \\sim C412 \\sim C413 \\sim C414 \\sim C415 \\sim C416: within 2A
with sigma of 0.001 and sigma for terminal atoms of 0.002
P4 \\sim C421 \\sim C422 \\sim C423 \\sim C424 \\sim C425 \\sim C426: within 2A
with sigma of 0.001 and sigma for terminal atoms of 0.002
F1 \\sim F2 \\sim F3 \\sim F4 \\sim B1: within 2A with sigma of 0.001 and sigma
for terminal atoms of 0.002
F5 \\sim F6 \\sim F7 \\sim F8 \\sim B2: within 2A with sigma of 0.001 and sigma
for terminal atoms of 0.002
F9 \\sim F10 \\sim F11 \\sim F12 \\sim B3: within 2A with sigma of 0.001 and
sigma for terminal atoms of 0.002
Au4 \\sim Au6 \\sim P6 \\sim N636 \\sim C631 \\sim C632 \\sim C633 \\sim C634
\\sim C635 \\sim C635: within 2A with sigma of 0.001 and sigma for terminal
atoms of 0.002
Au1 \\sim Au3 \\sim P1 \\sim N136 \\sim C131 \\sim C132 \\sim C133 \\sim C134
\\sim C135: within 2A with sigma of 0.001 and sigma for terminal atoms of 0.002
P1 \\sim C111 \\sim C112 \\sim C113 \\sim C114 \\sim C115 \\sim C116: within 2A
with sigma of 0.001 and sigma for terminal atoms of 0.002
Au5 \\sim Au6 \\sim P4 \\sim N436 \\sim C431 \\sim C432 \\sim C433 \\sim C434
\\sim C435: within 2A with sigma of 0.001 and sigma for terminal atoms of 0.002
Au2 \\sim Au3 \\sim P5 \\sim N536 \\sim C531 \\sim C532 \\sim C533 \\sim C534
\\sim C535: within 2A with sigma of 0.001 and sigma for terminal atoms of 0.002
P5 \\sim C511 \\sim C512 \\sim C513 \\sim C514 \\sim C515 \\sim C516: within 2A
with sigma of 0.001 and sigma for terminal atoms of 0.002
P3 \\sim C321 \\sim C322 \\sim C323 \\sim C324 \\sim C325 \\sim C326: within 2A
with sigma of 0.001 and sigma for terminal atoms of 0.002
P6 \\sim C621 \\sim C622 \\sim C623 \\sim C624 \\sim C625 \\sim C626: within 2A
with sigma of 0.001 and sigma for terminal atoms of 0.002
Au1 \\sim Au2 \\sim P3 \\sim N336 \\sim C331 \\sim C332 \\sim C333 \\sim C334
\\sim C335: within 2A with sigma of 0.001 and sigma for terminal atoms of 0.002
C211 \\sim C212 \\sim C213 \\sim C214 \\sim C215 \\sim C216: within 2A with
sigma of 0.001 and sigma for terminal atoms of 0.002
3.a Aromatic/amide H refined with riding coordinates:
 C112(H112), C116(H116), C115(H115), C114(H114), C113(H113), C124(H124),
 C125(H125), C126(H126), C122(H122), C123(H123), C134(H134), C133(H133),
 C132(H132), C216(H216), C215(H215), C214(H214), C213(H213), C212(H212),
 C222(H222), C223(H223), C224(H224), C225(H225), C226(H226), C232(H232),
 C233(H233), C234(H234), C314(H314), C315(H315), C316(H316), C312(H312),
 C313(H313), C322(H322), C323(H323), C324(H324), C325(H325), C326(H326),
 C332(H332), C333(H333), C334(H334), C412(H412), C413(H413), C414(H414),
 C415(H415), C416(H416), C422(H422), C423(H423), C424(H424), C425(H425),
 C426(H426), C434(H434), C433(H433), C432(H432), C512(H512), C516(H516),
 C515(H515), C514(H514), C513(H513), C522(H522), C523(H523), C524(H524),
 C525(H525), C526(H526), C534(H534), C533(H533), C532(H532), C613(H613),
 C614(H614), C615(H615), C616(H616), C612(H612), C622(H622), C623(H623),
 C624(H624), C625(H625), C626(H626), C634(H634), C633(H633), C632(H632)
3.b Fitted hexagon refined as free rotating group:
 C112(C111,C116,C115,C114,C113), C124(C125,C126,C121,C122,C123), C134(C133,
 C132,C131,N136,C135), C211(C216,C215,C214,C213,C212), C222(C223,C224,C225,C226,
 C221), C231(C232,C233,C234,C235,N236), C314(C315,C316,C311,C312,C313),
 C321(C322,C323,C324,C325,C326), C331(C332,C333,C334,C335,N336), C411(C412,C413,
 C414,C415,C416), C421(C422,C423,C424,C425,C426), C431(N436,C435,C434,C433,
 C432), C512(C511,C516,C515,C514,C513), C521(C522,C523,C524,C525,C526),
 C535(C534,C533,C532,C531,N536), C613(C614,C615,C616,C611,C612), C621(C622,C623,
 C624,C625,C626), C631(N636,C635,C634,C633,C632)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au -0.53867(4) -0.48793(5) -0.33984(4) 0.0531(3) Uani 1 1 d . U . . .
Au2 Au -0.41219(5) -0.49918(6) -0.30930(5) 0.0604(3) Uani 1 1 d . U . . .
Au3 Au -0.49237(6) -0.62477(6) -0.28356(5) 0.0652(3) Uani 1 1 d . U . . .
Au4 Au -0.57173(4) -0.42269(5) -0.23897(4) 0.0533(3) Uani 1 1 d . U . . .
Au5 Au -0.44222(4) -0.41688(5) -0.21265(4) 0.0512(3) Uani 1 1 d . U . . .
Au6 Au -0.51356(4) -0.55074(5) -0.18252(4) 0.0505(3) Uani 1 1 d . U . . .
Au7 Au -0.64001(4) -0.39526(5) -0.32929(5) 0.0558(3) Uani 1 1 d . . . . .
Au8 Au -0.33087(4) -0.39768(5) -0.26161(4) 0.0505(2) Uani 1 1 d . . . . .
Au9 Au -0.51660(4) -0.70932(5) -0.19454(4) 0.0549(3) Uani 1 1 d . . . . .
P1 P -0.6622(4) -0.4925(4) -0.3730(3) 0.0696(10) Uani 1 1 d . U . . .
P2 P -0.6235(3) -0.2927(3) -0.2903(3) 0.0617(14) Uani 1 1 d . U . . .
P3 P -0.3347(3) -0.3770(4) -0.3437(3) 0.0593(11) Uani 1 1 d . U . . .
P4 P -0.3183(3) -0.4152(4) -0.1790(3) 0.0606(11) Uani 1 1 d . U . . .
P5 P -0.4435(3) -0.7572(4) -0.2332(3) 0.0706(13) Uani 1 1 d . U . . .
P6 P -0.5900(3) -0.6726(4) -0.1507(3) 0.0683(12) Uani 1 1 d . U . . .
C112 C -0.7499(7) -0.5275(10) -0.4299(6) 0.0711(13) Uani 1 1 d . U . . .
H112 H -0.7258 -0.5342 -0.4553 0.085 Uiso 1 1 calc R . . . .
C111 C -0.7314(6) -0.5043(10) -0.3854(7) 0.0706(11) Uani 1 1 d G U . . .
C116 C -0.7674(8) -0.4944(10) -0.3475(6) 0.0710(13) Uani 1 1 d G U . . .
H116 H -0.7551 -0.4788 -0.3177 0.085 Uiso 1 1 calc R . . . .
C115 C -0.8219(7) -0.5077(10) -0.3541(6) 0.0714(14) Uani 1 1 d G U . . .
H115 H -0.8460 -0.5011 -0.3287 0.086 Uiso 1 1 calc R . . . .
C114 C -0.8404(6) -0.5310(10) -0.3986(7) 0.0716(14) Uani 1 1 d G U . . .
H114 H -0.8768 -0.5399 -0.4031 0.086 Uiso 1 1 calc R . . . .
C113 C -0.8044(8) -0.5409(10) -0.4366(6) 0.0715(14) Uani 1 1 d G U . . .
H113 H -0.8167 -0.5564 -0.4664 0.086 Uiso 1 1 calc R . . . .
C124 C -0.5735(9) -0.4976(9) -0.5191(6) 0.0710(14) Uani 1 1 d . U . . .
H124 H -0.5555 -0.4983 -0.5487 0.085 Uiso 1 1 calc R . . . .
C125 C -0.5740(8) -0.5548(7) -0.4900(7) 0.0710(14) Uani 1 1 d G U . . .
H125 H -0.5563 -0.5938 -0.5000 0.085 Uiso 1 1 calc R . . . .
C126 C -0.6009(9) -0.5538(7) -0.4458(7) 0.0707(13) Uani 1 1 d G U . . .
H126 H -0.6013 -0.5921 -0.4263 0.085 Uiso 1 1 calc R . . . .
C121 C -0.6273(9) -0.4956(9) -0.4308(6) 0.0704(11) Uani 1 1 d G U . . .
C122 C -0.6268(8) -0.4384(7) -0.4599(7) 0.0707(13) Uani 1 1 d G U . . .
H122 H -0.6445 -0.3995 -0.4499 0.085 Uiso 1 1 calc R . . . .
C123 C -0.5999(9) -0.4394(7) -0.5041(7) 0.0709(14) Uani 1 1 d G U . . .
H123 H -0.5996 -0.4011 -0.5236 0.085 Uiso 1 1 calc R . . . .
C134 C -0.6014(7) -0.6823(7) -0.2979(7) 0.0675(9) Uani 1 1 d . U . . .
H134 H -0.5879 -0.7209 -0.2832 0.081 Uiso 1 1 calc R . . . .
C133 C -0.6546(7) -0.6807(7) -0.3136(8) 0.0681(10) Uani 1 1 d G U . . .
H133 H -0.6766 -0.7182 -0.3094 0.082 Uiso 1 1 calc R . . . .
C132 C -0.6749(6) -0.6229(8) -0.3356(8) 0.0684(10) Uani 1 1 d G U . . .
H132 H -0.7105 -0.6218 -0.3461 0.082 Uiso 1 1 calc R . . . .
C131 C -0.6420(7) -0.5668(7) -0.3419(7) 0.0685(9) Uani 1 1 d G U . . .
N136 N -0.5889(6) -0.5685(6) -0.3262(7) 0.0676(9) Uani 1 1 d G U . . .
C135 C -0.5686(6) -0.6262(8) -0.3042(7) 0.0668(7) Uani 1 1 d G U . . .
C211 C -0.6413(9) -0.2177(7) -0.3223(7) 0.081(3) Uani 1 1 d . U . . .
C216 C -0.6533(9) -0.1587(9) -0.2971(6) 0.081(3) Uani 1 1 d G U . . .
H216 H -0.6596 -0.1603 -0.2639 0.097 Uiso 1 1 calc R . . . .
C215 C -0.6559(9) -0.0975(7) -0.3217(7) 0.081(3) Uani 1 1 d G U . . .
H215 H -0.6639 -0.0581 -0.3048 0.097 Uiso 1 1 calc R . . . .
C214 C -0.6464(9) -0.0952(7) -0.3713(8) 0.081(3) Uani 1 1 d G U . . .
H214 H -0.6482 -0.0543 -0.3877 0.097 Uiso 1 1 calc R . . . .
C213 C -0.6345(9) -0.1542(10) -0.3964(6) 0.081(3) Uani 1 1 d G U . . .
H213 H -0.6282 -0.1526 -0.4297 0.097 Uiso 1 1 calc R . . . .
C212 C -0.6319(9) -0.2154(7) -0.3719(7) 0.081(3) Uani 1 1 d G U . . .
H212 H -0.6239 -0.2548 -0.3887 0.097 Uiso 1 1 calc R . . . .
C222 C -0.7048(6) -0.3116(9) -0.2261(6) 0.0634(16) Uani 1 1 d . U . . .
H222 H -0.7219 -0.3334 -0.2517 0.076 Uiso 1 1 calc R . . . .
C223 C -0.7301(5) -0.3071(9) -0.1813(7) 0.0639(17) Uani 1 1 d G U . . .
H223 H -0.7640 -0.3259 -0.1769 0.077 Uiso 1 1 calc R . . . .
C224 C -0.7045(6) -0.2746(9) -0.1430(5) 0.0642(17) Uani 1 1 d G U . . .
H224 H -0.7214 -0.2716 -0.1130 0.077 Uiso 1 1 calc R . . . .
C225 C -0.6538(6) -0.2465(9) -0.1496(6) 0.0641(17) Uani 1 1 d G U . . .
H225 H -0.6367 -0.2247 -0.1240 0.077 Uiso 1 1 calc R . . . .
C226 C -0.6285(5) -0.2510(9) -0.1945(7) 0.0636(16) Uani 1 1 d G U . . .
H226 H -0.5945 -0.2322 -0.1989 0.076 Uiso 1 1 calc R . . . .
C221 C -0.6540(6) -0.2835(9) -0.2327(5) 0.0629(15) Uani 1 1 d G U . . .
C231 C -0.5534(4) -0.2837(7) -0.2798(6) 0.055(2) Uani 1 1 d . U . . .
C232 C -0.5240(5) -0.2254(6) -0.2888(6) 0.055(2) Uani 1 1 d G U . . .
H232 H -0.5405 -0.1885 -0.3035 0.066 Uiso 1 1 calc R . . . .
C233 C -0.4700(5) -0.2221(6) -0.2757(7) 0.055(2) Uani 1 1 d G U . . .
H233 H -0.4503 -0.1830 -0.2817 0.066 Uiso 1 1 calc R . . . .
C234 C -0.4454(4) -0.2771(7) -0.2537(7) 0.055(2) Uani 1 1 d G U . . .
H234 H -0.4093 -0.2749 -0.2450 0.066 Uiso 1 1 calc R . . . .
C235 C -0.4748(5) -0.3355(6) -0.2447(6) 0.055(2) Uani 1 1 d G U . . .
N236 N -0.5288(5) -0.3388(6) -0.2578(6) 0.055(2) Uani 1 1 d G U . . .
C314 C -0.2583(7) -0.1807(6) -0.3983(6) 0.0613(14) Uani 1 1 d . U . . .
H314 H -0.2441 -0.1403 -0.4096 0.074 Uiso 1 1 calc R . . . .
C315 C -0.2839(7) -0.1831(6) -0.3535(6) 0.0611(14) Uani 1 1 d G U . . .
H315 H -0.2868 -0.1442 -0.3348 0.073 Uiso 1 1 calc R . . . .
C316 C -0.3052(7) -0.2436(8) -0.3367(5) 0.0607(13) Uani 1 1 d G U . . .
H316 H -0.3223 -0.2452 -0.3067 0.073 Uiso 1 1 calc R . . . .
C311 C -0.3008(7) -0.3017(6) -0.3646(6) 0.0602(12) Uani 1 1 d G U . . .
C312 C -0.2752(7) -0.2994(7) -0.4094(6) 0.0607(13) Uani 1 1 d G U . . .
H312 H -0.2723 -0.3383 -0.4280 0.073 Uiso 1 1 calc R . . . .
C313 C -0.2540(7) -0.2389(8) -0.4262(5) 0.0611(14) Uani 1 1 d G U . . .
H313 H -0.2368 -0.2373 -0.4562 0.073 Uiso 1 1 calc R . . . .
C321 C -0.3106(7) -0.4457(8) -0.3809(6) 0.0602(12) Uani 1 1 d . U . . .
C322 C -0.3311(6) -0.4556(8) -0.4273(6) 0.0608(13) Uani 1 1 d G U . . .
H322 H -0.3578 -0.4272 -0.4392 0.073 Uiso 1 1 calc R . . . .
C323 C -0.3116(7) -0.5080(9) -0.4558(5) 0.0611(14) Uani 1 1 d G U . . .
H323 H -0.3253 -0.5147 -0.4869 0.073 Uiso 1 1 calc R . . . .
C324 C -0.2717(7) -0.5505(8) -0.4380(6) 0.0612(14) Uani 1 1 d G U . . .
H324 H -0.2586 -0.5855 -0.4571 0.073 Uiso 1 1 calc R . . . .
C325 C -0.2512(6) -0.5406(8) -0.3917(6) 0.0611(14) Uani 1 1 d G U . . .
H325 H -0.2245 -0.5690 -0.3798 0.073 Uiso 1 1 calc R . . . .
C326 C -0.2707(7) -0.4882(9) -0.3631(5) 0.0607(13) Uani 1 1 d G U . . .
H326 H -0.2570 -0.4816 -0.3321 0.073 Uiso 1 1 calc R . . . .
C331 C -0.4029(4) -0.3640(8) -0.3627(7) 0.0591(12) Uani 1 1 d . U . . .
C332 C -0.4221(6) -0.3082(7) -0.3880(7) 0.0592(13) Uani 1 1 d G U . . .
H332 H -0.3986 -0.2737 -0.3966 0.071 Uiso 1 1 calc R . . . .
C333 C -0.4763(6) -0.3040(7) -0.4002(7) 0.0592(14) Uani 1 1 d G U . . .
H333 H -0.4891 -0.2667 -0.4171 0.071 Uiso 1 1 calc R . . . .
C334 C -0.5113(5) -0.3556(8) -0.3872(7) 0.0592(14) Uani 1 1 d G U . . .
H334 H -0.5476 -0.3528 -0.3954 0.071 Uiso 1 1 calc R . . . .
C335 C -0.4922(5) -0.4114(7) -0.3620(7) 0.0591(14) Uani 1 1 d G U . . .
N336 N -0.4380(6) -0.4156(7) -0.3498(6) 0.0590(13) Uani 1 1 d G U . . .
C411 C -0.2485(5) -0.4253(10) -0.1613(6) 0.0616(12) Uani 1 1 d . U . . .
C412 C -0.2141(6) -0.4564(10) -0.1942(5) 0.0621(13) Uani 1 1 d G U . . .
H412 H -0.2264 -0.4677 -0.2250 0.074 Uiso 1 1 calc R . . . .
C413 C -0.1612(6) -0.4706(9) -0.1811(6) 0.0624(14) Uani 1 1 d G U . . .
H413 H -0.1382 -0.4914 -0.2031 0.075 Uiso 1 1 calc R . . . .
C414 C -0.1428(5) -0.4538(10) -0.1351(6) 0.0625(14) Uani 1 1 d G U . . .
H414 H -0.1074 -0.4633 -0.1263 0.075 Uiso 1 1 calc R . . . .
C415 C -0.1772(6) -0.4227(10) -0.1022(5) 0.0624(14) Uani 1 1 d G U . . .
H415 H -0.1648 -0.4114 -0.0714 0.075 Uiso 1 1 calc R . . . .
C416 C -0.2300(6) -0.4085(9) -0.1153(6) 0.0621(13) Uani 1 1 d G U . . .
H416 H -0.2530 -0.3877 -0.0933 0.075 Uiso 1 1 calc R . . . .
C421 C -0.3450(7) -0.3505(7) -0.1405(6) 0.0618(12) Uani 1 1 d . U . . .
C422 C -0.3468(7) -0.2844(8) -0.1573(5) 0.0622(13) Uani 1 1 d G U . . .
H422 H -0.3392 -0.2751 -0.1897 0.075 Uiso 1 1 calc R . . . .
C423 C -0.3601(7) -0.2322(6) -0.1259(6) 0.0626(14) Uani 1 1 d G U . . .
H423 H -0.3614 -0.1880 -0.1371 0.075 Uiso 1 1 calc R . . . .
C424 C -0.3716(7) -0.2461(7) -0.0776(6) 0.0628(14) Uani 1 1 d G U . . .
H424 H -0.3805 -0.2112 -0.0565 0.075 Uiso 1 1 calc R . . . .
C425 C -0.3697(7) -0.3122(8) -0.0607(5) 0.0627(14) Uani 1 1 d G U . . .
H425 H -0.3774 -0.3215 -0.0284 0.075 Uiso 1 1 calc R . . . .
C426 C -0.3564(7) -0.3644(6) -0.0922(6) 0.0623(13) Uani 1 1 d G U . . .
H426 H -0.3552 -0.4086 -0.0809 0.075 Uiso 1 1 calc R . . . .
C431 C -0.3518(6) -0.4902(7) -0.1607(7) 0.0606(12) Uani 1 1 d . U . . .
N436 N -0.4053(6) -0.4947(7) -0.1753(6) 0.0605(13) Uani 1 1 d G U . . .
C435 C -0.4357(5) -0.5511(8) -0.1631(7) 0.0607(14) Uani 1 1 d G U . . .
C434 C -0.4127(6) -0.6030(7) -0.1362(7) 0.0607(14) Uani 1 1 d G U . . .
H434 H -0.4330 -0.6407 -0.1281 0.073 Uiso 1 1 calc R . . . .
C433 C -0.3592(6) -0.5985(7) -0.1216(7) 0.0607(14) Uani 1 1 d G U . . .
H433 H -0.3438 -0.6332 -0.1036 0.073 Uiso 1 1 calc R . . . .
C432 C -0.3288(5) -0.5421(8) -0.1338(7) 0.0607(13) Uani 1 1 d G U . . .
H432 H -0.2930 -0.5391 -0.1240 0.073 Uiso 1 1 calc R . . . .
C512 C -0.4202(6) -0.7843(9) -0.3312(8) 0.0718(15) Uani 1 1 d . U . . .
H512 H -0.3899 -0.7571 -0.3280 0.086 Uiso 1 1 calc R . . . .
C511 C -0.4546(8) -0.7934(9) -0.2919(6) 0.0714(14) Uani 1 1 d G U . . .
C516 C -0.4999(7) -0.8341(10) -0.2966(6) 0.0717(15) Uani 1 1 d G U . . .
H516 H -0.5229 -0.8402 -0.2704 0.086 Uiso 1 1 calc R . . . .
C515 C -0.5109(6) -0.8656(9) -0.3405(8) 0.0720(16) Uani 1 1 d G U . . .
H515 H -0.5412 -0.8928 -0.3437 0.086 Uiso 1 1 calc R . . . .
C514 C -0.4765(7) -0.8564(10) -0.3798(6) 0.0721(16) Uani 1 1 d G U . . .
H514 H -0.4839 -0.8775 -0.4092 0.087 Uiso 1 1 calc R . . . .
C513 C -0.4312(7) -0.8158(10) -0.3751(6) 0.0720(16) Uani 1 1 d G U . . .
H513 H -0.4082 -0.8096 -0.4014 0.086 Uiso 1 1 calc R . . . .
C521 C -0.4062(8) -0.8195(8) -0.2015(7) 0.0714(14) Uani 1 1 d . U . . .
C522 C -0.3970(8) -0.8092(8) -0.1524(7) 0.0719(15) Uani 1 1 d G U . . .
H522 H -0.4108 -0.7711 -0.1371 0.086 Uiso 1 1 calc R . . . .
C523 C -0.3670(8) -0.8557(9) -0.1260(6) 0.0722(16) Uani 1 1 d G U . . .
H523 H -0.3608 -0.8488 -0.0932 0.087 Uiso 1 1 calc R . . . .
C524 C -0.3463(8) -0.9126(8) -0.1488(7) 0.0722(16) Uani 1 1 d G U . . .
H524 H -0.3262 -0.9438 -0.1312 0.087 Uiso 1 1 calc R . . . .
C525 C -0.3555(8) -0.9230(8) -0.1980(7) 0.0720(16) Uani 1 1 d G U . . .
H525 H -0.3417 -0.9611 -0.2132 0.086 Uiso 1 1 calc R . . . .
C526 C -0.3855(8) -0.8765(9) -0.2243(6) 0.0717(15) Uani 1 1 d G U . . .
H526 H -0.3917 -0.8834 -0.2572 0.086 Uiso 1 1 calc R . . . .
C535 C -0.3797(7) -0.5803(7) -0.2766(8) 0.0709(16) Uani 1 1 d . U . . .
C534 C -0.3249(6) -0.5861(7) -0.2675(9) 0.0711(16) Uani 1 1 d G U . . .
H534 H -0.3019 -0.5505 -0.2746 0.085 Uiso 1 1 calc R . . . .
C533 C -0.3044(5) -0.6452(9) -0.2476(8) 0.0711(16) Uani 1 1 d G U . . .
H533 H -0.2677 -0.6491 -0.2414 0.085 Uiso 1 1 calc R . . . .
C532 C -0.3388(7) -0.6986(7) -0.2368(8) 0.0711(15) Uani 1 1 d G U . . .
H532 H -0.3251 -0.7381 -0.2235 0.085 Uiso 1 1 calc R . . . .
C531 C -0.3936(6) -0.6928(7) -0.2460(8) 0.0708(14) Uani 1 1 d G U . . .
N536 N -0.4141(5) -0.6337(8) -0.2659(8) 0.0708(15) Uani 1 1 d G U . . .
C613 C -0.6825(8) -0.8429(8) -0.1548(7) 0.0710(15) Uani 1 1 d . U . . .
H613 H -0.6842 -0.8817 -0.1737 0.085 Uiso 1 1 calc R . . . .
C614 C -0.7180(7) -0.8342(8) -0.1164(8) 0.0712(16) Uani 1 1 d G U . . .
H614 H -0.7435 -0.8672 -0.1095 0.085 Uiso 1 1 calc R . . . .
C615 C -0.7155(7) -0.7761(9) -0.0882(7) 0.0711(15) Uani 1 1 d G U . . .
H615 H -0.7393 -0.7703 -0.0625 0.085 Uiso 1 1 calc R . . . .
C616 C -0.6774(8) -0.7267(8) -0.0985(7) 0.0705(15) Uani 1 1 d G U . . .
H616 H -0.6757 -0.6879 -0.0796 0.085 Uiso 1 1 calc R . . . .
C611 C -0.6419(7) -0.7354(8) -0.1369(8) 0.0698(14) Uani 1 1 d G U . . .
C612 C -0.6444(7) -0.7935(10) -0.1651(7) 0.0704(15) Uani 1 1 d G U . . .
H612 H -0.6206 -0.7993 -0.1908 0.085 Uiso 1 1 calc R . . . .
C621 C -0.5729(8) -0.6377(9) -0.0921(6) 0.0685(14) Uani 1 1 d . U . . .
C622 C -0.5937(7) -0.5766(9) -0.0758(7) 0.0686(15) Uani 1 1 d G U . . .
H622 H -0.6190 -0.5536 -0.0944 0.082 Uiso 1 1 calc R . . . .
C623 C -0.5766(8) -0.5499(8) -0.0318(7) 0.0688(15) Uani 1 1 d G U . . .
H623 H -0.5905 -0.5091 -0.0209 0.083 Uiso 1 1 calc R . . . .
C624 C -0.5387(8) -0.5843(9) -0.0041(6) 0.0688(16) Uani 1 1 d G U . . .
H624 H -0.5273 -0.5665 0.0253 0.083 Uiso 1 1 calc R . . . .
C625 C -0.5180(7) -0.6454(9) -0.0204(7) 0.0688(15) Uani 1 1 d G U . . .
H625 H -0.4926 -0.6684 -0.0019 0.083 Uiso 1 1 calc R . . . .
C626 C -0.5351(8) -0.6721(8) -0.0644(7) 0.0686(15) Uani 1 1 d G U . . .
H626 H -0.5212 -0.7129 -0.0753 0.082 Uiso 1 1 calc R . . . .
C631 C -0.6266(6) -0.6071(7) -0.1807(8) 0.0682(13) Uani 1 1 d . U . . .
N636 N -0.5960(5) -0.5516(8) -0.1948(8) 0.0681(15) Uani 1 1 d G U . . .
C635 C -0.6206(6) -0.4975(7) -0.2180(8) 0.0681(15) Uani 1 1 d G U . . .
C634 C -0.6756(6) -0.4988(8) -0.2272(8) 0.0681(15) Uani 1 1 d G U . . .
H634 H -0.6920 -0.4626 -0.2427 0.082 Uiso 1 1 calc R . . . .
C633 C -0.7061(5) -0.5543(9) -0.2132(8) 0.0682(15) Uani 1 1 d G U . . .
H633 H -0.7429 -0.5552 -0.2193 0.082 Uiso 1 1 calc R . . . .
C632 C -0.6816(6) -0.6084(8) -0.1899(8) 0.0682(15) Uani 1 1 d G U . . .
H632 H -0.7020 -0.6455 -0.1805 0.082 Uiso 1 1 calc R . . . .
F1 F -0.1103(14) -0.6036(17) -0.2580(13) 0.140(5) Uiso 1 1 d . U . . .
F2 F -0.1681(14) -0.6648(19) -0.2920(13) 0.141(5) Uiso 1 1 d . U . . .
F3 F -0.1350(14) -0.5828(18) -0.3401(13) 0.140(5) Uiso 1 1 d . U . . .
F4 F -0.1942(13) -0.5629(17) -0.2775(13) 0.136(5) Uiso 1 1 d . U . . .
B1 B -0.152(3) -0.609(4) -0.298(3) 0.139(5) Uiso 1 1 d . U . . .
F5 F -0.5996(13) -0.2800(18) -0.4750(12) 0.134(5) Uiso 1 1 d . U . . .
F6 F -0.5953(13) -0.2766(17) -0.5549(13) 0.135(5) Uiso 1 1 d . U . . .
F7 F -0.6724(14) -0.2940(18) -0.5238(13) 0.137(5) Uiso 1 1 d . U . . .
F8 F -0.6401(13) -0.1941(18) -0.5133(13) 0.137(5) Uiso 1 1 d . U . . .
B2 B -0.630(3) -0.268(4) -0.515(3) 0.136(5) Uiso 1 1 d . U . . .
F9 F -0.7993(10) -0.4294(12) -0.2476(9) 0.101(4) Uiso 1 1 d . U . . .
F10 F -0.8557(10) -0.4116(13) -0.1877(10) 0.106(4) Uiso 1 1 d . U . . .
F11 F -0.8432(10) -0.3304(13) -0.2400(10) 0.103(4) Uiso 1 1 d . U . . .
F12 F -0.8862(10) -0.4228(12) -0.2644(10) 0.104(4) Uiso 1 1 d . U . . .
B3 B -0.851(2) -0.398(3) -0.236(2) 0.103(3) Uiso 1 1 d . 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 Au2 3.2591(15) . ?
Au1 Au3 3.3294(16) . ?
Au1 Au4 3.1761(16) . ?
Au1 Au7 3.1286(14) . ?
Au1 N136 2.060(12) . ?
Au1 C335 2.001(11) . ?
Au2 Au3 3.2651(17) . ?
Au2 Au5 3.2131(16) . ?
Au2 Au8 3.1391(15) . ?
Au2 N336 2.097(11) . ?
Au2 C535 2.012(13) . ?
Au3 Au6 3.1933(16) . ?
Au3 Au9 3.0331(17) . ?
Au3 C135 1.976(13) . ?
Au3 N536 2.011(13) . ?
Au4 Au5 3.2987(14) . ?
Au4 Au6 3.3090(14) . ?
Au4 Au7 3.0623(16) . ?
Au4 N236 2.042(10) . ?
Au4 C635 2.000(12) . ?
Au5 Au6 3.2963(14) . ?
Au5 Au8 3.1004(14) . ?
Au5 C235 2.010(11) . ?
Au5 N436 2.069(12) . ?
Au6 Au9 3.1609(14) . ?
Au6 C435 2.006(11) . ?
Au6 N636 2.076(12) . ?
Au7 P1 2.339(8) . ?
Au7 P2 2.335(7) . ?
Au8 P3 2.302(8) . ?
Au8 P4 2.325(8) . ?
Au9 P5 2.308(8) . ?
Au9 P6 2.304(8) . ?
P1 C111 1.769(16) . ?
P1 C121 1.813(17) . ?
P1 C131 1.777(14) . ?
P2 C211 1.785(15) . ?
P2 C221 1.769(15) . ?
P2 C231 1.773(12) . ?
P3 C311 1.807(13) . ?
P3 C321 1.808(13) . ?
P3 C331 1.792(13) . ?
P4 C411 1.812(13) . ?
P4 C421 1.792(14) . ?
P4 C431 1.779(13) . ?
P5 C511 1.793(17) . ?
P5 C521 1.775(15) . ?
P5 C531 1.814(15) . ?
P6 C611 1.831(14) . ?
P6 C621 1.810(17) . ?
P6 C631 1.787(15) . ?
C112 H112 0.9300 . ?
C112 C111 1.3900 . ?
C112 C113 1.3900 . ?
C111 C116 1.3900 . ?
C116 H116 0.9300 . ?
C116 C115 1.3900 . ?
C115 H115 0.9300 . ?
C115 C114 1.3900 . ?
C114 H114 0.9300 . ?
C114 C113 1.3900 . ?
C113 H113 0.9300 . ?
C124 H124 0.9300 . ?
C124 C125 1.3900 . ?
C124 C123 1.3900 . ?
C125 H125 0.9300 . ?
C125 C126 1.3900 . ?
C126 H126 0.9300 . ?
C126 C121 1.3900 . ?
C121 C122 1.3900 . ?
C122 H122 0.9300 . ?
C122 C123 1.3900 . ?
C123 H123 0.9300 . ?
C134 H134 0.9300 . ?
C134 C133 1.3900 . ?
C134 C135 1.3900 . ?
C133 H133 0.9300 . ?
C133 C132 1.3900 . ?
C132 H132 0.9300 . ?
C132 C131 1.3900 . ?
C131 N136 1.3900 . ?
N136 C135 1.3900 . ?
C211 C216 1.3900 . ?
C211 C212 1.3900 . ?
C216 H216 0.9300 . ?
C216 C215 1.3900 . ?
C215 H215 0.9300 . ?
C215 C214 1.3900 . ?
C214 H214 0.9300 . ?
C214 C213 1.3900 . ?
C213 H213 0.9300 . ?
C213 C212 1.3900 . ?
C212 H212 0.9300 . ?
C222 H222 0.9300 . ?
C222 C223 1.3900 . ?
C222 C221 1.3900 . ?
C223 H223 0.9300 . ?
C223 C224 1.3900 . ?
C224 H224 0.9300 . ?
C224 C225 1.3900 . ?
C225 H225 0.9300 . ?
C225 C226 1.3900 . ?
C226 H226 0.9300 . ?
C226 C221 1.3900 . ?
C231 C232 1.3900 . ?
C231 N236 1.3900 . ?
C232 H232 0.9300 . ?
C232 C233 1.3900 . ?
C233 H233 0.9300 . ?
C233 C234 1.3900 . ?
C234 H234 0.9300 . ?
C234 C235 1.3900 . ?
C235 N236 1.3900 . ?
C314 H314 0.9300 . ?
C314 C315 1.3900 . ?
C314 C313 1.3900 . ?
C315 H315 0.9300 . ?
C315 C316 1.3900 . ?
C316 H316 0.9300 . ?
C316 C311 1.3900 . ?
C311 C312 1.3900 . ?
C312 H312 0.9300 . ?
C312 C313 1.3900 . ?
C313 H313 0.9300 . ?
C321 C322 1.3900 . ?
C321 C326 1.3900 . ?
C322 H322 0.9300 . ?
C322 C323 1.3900 . ?
C323 H323 0.9300 . ?
C323 C324 1.3900 . ?
C324 H324 0.9300 . ?
C324 C325 1.3900 . ?
C325 H325 0.9300 . ?
C325 C326 1.3900 . ?
C326 H326 0.9300 . ?
C331 C332 1.3900 . ?
C331 N336 1.3900 . ?
C332 H332 0.9300 . ?
C332 C333 1.3900 . ?
C333 H333 0.9300 . ?
C333 C334 1.3900 . ?
C334 H334 0.9300 . ?
C334 C335 1.3900 . ?
C335 N336 1.3900 . ?
C411 C412 1.3900 . ?
C411 C416 1.3900 . ?
C412 H412 0.9300 . ?
C412 C413 1.3900 . ?
C413 H413 0.9300 . ?
C413 C414 1.3900 . ?
C414 H414 0.9300 . ?
C414 C415 1.3900 . ?
C415 H415 0.9300 . ?
C415 C416 1.3900 . ?
C416 H416 0.9300 . ?
C421 C422 1.3900 . ?
C421 C426 1.3900 . ?
C422 H422 0.9300 . ?
C422 C423 1.3900 . ?
C423 H423 0.9300 . ?
C423 C424 1.3900 . ?
C424 H424 0.9300 . ?
C424 C425 1.3900 . ?
C425 H425 0.9300 . ?
C425 C426 1.3900 . ?
C426 H426 0.9300 . ?
C431 N436 1.3900 . ?
C431 C432 1.3900 . ?
N436 C435 1.3900 . ?
C435 C434 1.3900 . ?
C434 H434 0.9300 . ?
C434 C433 1.3900 . ?
C433 H433 0.9300 . ?
C433 C432 1.3900 . ?
C432 H432 0.9300 . ?
C512 H512 0.9300 . ?
C512 C511 1.3900 . ?
C512 C513 1.3900 . ?
C511 C516 1.3900 . ?
C516 H516 0.9300 . ?
C516 C515 1.3900 . ?
C515 H515 0.9300 . ?
C515 C514 1.3900 . ?
C514 H514 0.9300 . ?
C514 C513 1.3900 . ?
C513 H513 0.9300 . ?
C521 C522 1.3900 . ?
C521 C526 1.3900 . ?
C522 H522 0.9300 . ?
C522 C523 1.3900 . ?
C523 H523 0.9300 . ?
C523 C524 1.3900 . ?
C524 H524 0.9300 . ?
C524 C525 1.3900 . ?
C525 H525 0.9300 . ?
C525 C526 1.3900 . ?
C526 H526 0.9300 . ?
C535 C534 1.3900 . ?
C535 N536 1.3900 . ?
C534 H534 0.9300 . ?
C534 C533 1.3900 . ?
C533 H533 0.9300 . ?
C533 C532 1.3900 . ?
C532 H532 0.9300 . ?
C532 C531 1.3900 . ?
C531 N536 1.3900 . ?
C613 H613 0.9300 . ?
C613 C614 1.3900 . ?
C613 C612 1.3900 . ?
C614 H614 0.9300 . ?
C614 C615 1.3900 . ?
C615 H615 0.9300 . ?
C615 C616 1.3900 . ?
C616 H616 0.9300 . ?
C616 C611 1.3900 . ?
C611 C612 1.3900 . ?
C612 H612 0.9300 . ?
C621 C622 1.3900 . ?
C621 C626 1.3900 . ?
C622 H622 0.9300 . ?
C622 C623 1.3900 . ?
C623 H623 0.9300 . ?
C623 C624 1.3900 . ?
C624 H624 0.9300 . ?
C624 C625 1.3900 . ?
C625 H625 0.9300 . ?
C625 C626 1.3900 . ?
C626 H626 0.9300 . ?
C631 N636 1.3900 . ?
C631 C632 1.3900 . ?
N636 C635 1.3900 . ?
C635 C634 1.3900 . ?
C634 H634 0.9300 . ?
C634 C633 1.3900 . ?
C633 H633 0.9300 . ?
C633 C632 1.3900 . ?
C632 H632 0.9300 . ?
F1 B1 1.52(9) . ?
F2 B1 1.18(8) . ?
F3 B1 1.35(9) . ?
F4 B1 1.49(9) . ?
F5 B2 1.36(9) . ?
F6 B2 1.42(9) . ?
F7 B2 1.20(8) . ?
F8 B2 1.48(8) . ?
F9 B3 1.46(6) . ?
F10 B3 1.37(7) . ?
F11 B3 1.37(6) . ?
F12 B3 1.26(6) . ?

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
Au2 Au1 Au3 59.40(4) . . ?
Au4 Au1 Au2 92.89(4) . . ?
Au4 Au1 Au3 90.70(4) . . ?
Au7 Au1 Au2 142.29(4) . . ?
Au7 Au1 Au3 135.43(5) . . ?
Au7 Au1 Au4 58.11(3) . . ?
N136 Au1 Au2 118.9(5) . . ?
N136 Au1 Au3 59.5(5) . . ?
N136 Au1 Au4 90.0(5) . . ?
N136 Au1 Au7 87.2(5) . . ?
C335 Au1 Au2 64.9(4) . . ?
C335 Au1 Au3 124.1(4) . . ?
C335 Au1 Au4 96.2(6) . . ?
C335 Au1 Au7 92.7(5) . . ?
C335 Au1 N136 172.7(8) . . ?
Au1 Au2 Au3 61.37(4) . . ?
Au5 Au2 Au1 87.49(4) . . ?
Au5 Au2 Au3 93.72(4) . . ?
Au8 Au2 Au1 133.18(5) . . ?
Au8 Au2 Au3 142.13(5) . . ?
Au8 Au2 Au5 58.42(3) . . ?
N336 Au2 Au1 60.9(4) . . ?
N336 Au2 Au3 122.1(4) . . ?
N336 Au2 Au5 88.3(5) . . ?
N336 Au2 Au8 85.0(4) . . ?
C535 Au2 Au1 123.8(5) . . ?
C535 Au2 Au3 62.5(5) . . ?
C535 Au2 Au5 97.3(7) . . ?
C535 Au2 Au8 93.8(6) . . ?
C535 Au2 N336 172.7(8) . . ?
Au2 Au3 Au1 59.23(3) . . ?
Au6 Au3 Au1 88.62(4) . . ?
Au6 Au3 Au2 86.57(4) . . ?
Au9 Au3 Au1 139.37(5) . . ?
Au9 Au3 Au2 135.90(6) . . ?
Au9 Au3 Au6 60.95(4) . . ?
C135 Au3 Au1 63.1(5) . . ?
C135 Au3 Au2 122.2(5) . . ?
C135 Au3 Au6 95.8(6) . . ?
C135 Au3 Au9 92.0(5) . . ?
C135 Au3 N536 173.6(7) . . ?
N536 Au3 Au1 121.2(5) . . ?
N536 Au3 Au2 62.0(5) . . ?
N536 Au3 Au6 89.3(6) . . ?
N536 Au3 Au9 87.0(6) . . ?
Au1 Au4 Au5 87.43(4) . . ?
Au1 Au4 Au6 89.28(4) . . ?
Au5 Au4 Au6 59.85(3) . . ?
Au7 Au4 Au1 60.17(4) . . ?
Au7 Au4 Au5 135.44(5) . . ?
Au7 Au4 Au6 139.52(4) . . ?
N236 Au4 Au1 88.5(5) . . ?
N236 Au4 Au5 61.3(4) . . ?
N236 Au4 Au6 121.1(4) . . ?
N236 Au4 Au7 86.4(4) . . ?
C635 Au4 Au1 96.2(6) . . ?
C635 Au4 Au5 123.6(5) . . ?
C635 Au4 Au6 63.9(5) . . ?
C635 Au4 Au7 91.8(6) . . ?
C635 Au4 N236 173.3(7) . . ?
Au2 Au5 Au4 91.48(4) . . ?
Au2 Au5 Au6 85.72(4) . . ?
Au6 Au5 Au4 60.23(3) . . ?
Au8 Au5 Au2 59.60(3) . . ?
Au8 Au5 Au4 141.05(5) . . ?
Au8 Au5 Au6 133.46(4) . . ?
C235 Au5 Au2 97.8(5) . . ?
C235 Au5 Au4 62.5(4) . . ?
C235 Au5 Au6 122.7(4) . . ?
C235 Au5 Au8 93.9(4) . . ?
C235 Au5 N436 174.8(6) . . ?
N436 Au5 Au2 86.1(5) . . ?
N436 Au5 Au4 121.0(4) . . ?
N436 Au5 Au6 60.8(4) . . ?
N436 Au5 Au8 85.0(4) . . ?
Au3 Au6 Au4 90.77(4) . . ?
Au3 Au6 Au5 93.50(4) . . ?
Au5 Au6 Au4 59.92(3) . . ?
Au9 Au6 Au3 57.02(4) . . ?
Au9 Au6 Au4 134.63(4) . . ?
Au9 Au6 Au5 141.86(4) . . ?
C435 Au6 Au3 94.2(6) . . ?
C435 Au6 Au4 123.3(4) . . ?
C435 Au6 Au5 63.4(4) . . ?
C435 Au6 Au9 92.7(5) . . ?
C435 Au6 N636 173.8(8) . . ?
N636 Au6 Au3 91.0(6) . . ?
N636 Au6 Au4 59.9(5) . . ?
N636 Au6 Au5 119.7(5) . . ?
N636 Au6 Au9 87.2(5) . . ?
Au4 Au7 Au1 61.72(3) . . ?
P1 Au7 Au1 70.0(2) . . ?
P1 Au7 Au4 113.8(2) . . ?
P2 Au7 Au1 114.36(17) . . ?
P2 Au7 Au4 71.50(19) . . ?
P2 Au7 P1 174.6(3) . . ?
Au5 Au8 Au2 61.99(4) . . ?
P3 Au8 Au2 71.04(18) . . ?
P3 Au8 Au5 114.39(18) . . ?
P3 Au8 P4 174.4(3) . . ?
P4 Au8 Au2 113.67(19) . . ?
P4 Au8 Au5 71.03(18) . . ?
Au3 Au9 Au6 62.03(4) . . ?
P5 Au9 Au3 72.4(2) . . ?
P5 Au9 Au6 116.0(2) . . ?
P6 Au9 Au3 114.0(2) . . ?
P6 Au9 Au6 69.5(2) . . ?
P6 Au9 P5 173.5(3) . . ?
C111 P1 Au7 115.9(7) . . ?
C111 P1 C121 106.9(11) . . ?
C111 P1 C131 104.9(10) . . ?
C121 P1 Au7 111.7(7) . . ?
C131 P1 Au7 111.6(8) . . ?
C131 P1 C121 105.1(10) . . ?
C211 P2 Au7 117.0(8) . . ?
C221 P2 Au7 115.3(7) . . ?
C221 P2 C211 104.6(10) . . ?
C221 P2 C231 105.3(9) . . ?
C231 P2 Au7 109.6(6) . . ?
C231 P2 C211 103.9(10) . . ?
C311 P3 Au8 116.2(7) . . ?
C311 P3 C321 106.6(9) . . ?
C321 P3 Au8 114.3(7) . . ?
C331 P3 Au8 110.7(7) . . ?
C331 P3 C311 103.2(9) . . ?
C331 P3 C321 104.8(9) . . ?
C411 P4 Au8 114.2(7) . . ?
C421 P4 Au8 115.1(7) . . ?
C421 P4 C411 105.9(9) . . ?
C431 P4 Au8 109.9(7) . . ?
C431 P4 C411 106.2(9) . . ?
C431 P4 C421 104.9(9) . . ?
C511 P5 Au9 117.5(7) . . ?
C511 P5 C531 102.2(11) . . ?
C521 P5 Au9 117.9(8) . . ?
C521 P5 C511 104.2(9) . . ?
C521 P5 C531 103.3(10) . . ?
C531 P5 Au9 109.8(7) . . ?
C611 P6 Au9 116.8(7) . . ?
C621 P6 Au9 113.8(7) . . ?
C621 P6 C611 103.8(10) . . ?
C631 P6 Au9 112.8(8) . . ?
C631 P6 C611 103.5(10) . . ?
C631 P6 C621 104.7(10) . . ?
C111 C112 H112 120.0 . . ?
C111 C112 C113 120.0 . . ?
C113 C112 H112 120.0 . . ?
C112 C111 P1 122.3(11) . . ?
C112 C111 C116 120.0 . . ?
C116 C111 P1 117.5(11) . . ?
C111 C116 H116 120.0 . . ?
C115 C116 C111 120.0 . . ?
C115 C116 H116 120.0 . . ?
C116 C115 H115 120.0 . . ?
C116 C115 C114 120.0 . . ?
C114 C115 H115 120.0 . . ?
C115 C114 H114 120.0 . . ?
C115 C114 C113 120.0 . . ?
C113 C114 H114 120.0 . . ?
C112 C113 H113 120.0 . . ?
C114 C113 C112 120.0 . . ?
C114 C113 H113 120.0 . . ?
C125 C124 H124 120.0 . . ?
C125 C124 C123 120.0 . . ?
C123 C124 H124 120.0 . . ?
C124 C125 H125 120.0 . . ?
C124 C125 C126 120.0 . . ?
C126 C125 H125 120.0 . . ?
C125 C126 H126 120.0 . . ?
C121 C126 C125 120.0 . . ?
C121 C126 H126 120.0 . . ?
C126 C121 P1 121.0(10) . . ?
C122 C121 P1 119.0(10) . . ?
C122 C121 C126 120.0 . . ?
C121 C122 H122 120.0 . . ?
C121 C122 C123 120.0 . . ?
C123 C122 H122 120.0 . . ?
C124 C123 H123 120.0 . . ?
C122 C123 C124 120.0 . . ?
C122 C123 H123 120.0 . . ?
C133 C134 H134 120.0 . . ?
C133 C134 C135 120.0 . . ?
C135 C134 H134 120.0 . . ?
C134 C133 H133 120.0 . . ?
C134 C133 C132 120.0 . . ?
C132 C133 H133 120.0 . . ?
C133 C132 H132 120.0 . . ?
C131 C132 C133 120.0 . . ?
C131 C132 H132 120.0 . . ?
C132 C131 P1 123.9(10) . . ?
N136 C131 P1 115.9(10) . . ?
N136 C131 C132 120.0 . . ?
C131 N136 Au1 120.0(9) . . ?
C131 N136 C135 120.0 . . ?
C135 N136 Au1 119.9(9) . . ?
C134 C135 Au3 122.6(9) . . ?
N136 C135 Au3 117.4(9) . . ?
N136 C135 C134 120.0 . . ?
C216 C211 P2 120.4(12) . . ?
C216 C211 C212 120.0 . . ?
C212 C211 P2 118.2(12) . . ?
C211 C216 H216 120.0 . . ?
C215 C216 C211 120.0 . . ?
C215 C216 H216 120.0 . . ?
C216 C215 H215 120.0 . . ?
C214 C215 C216 120.0 . . ?
C214 C215 H215 120.0 . . ?
C215 C214 H214 120.0 . . ?
C215 C214 C213 120.0 . . ?
C213 C214 H214 120.0 . . ?
C214 C213 H213 120.0 . . ?
C214 C213 C212 120.0 . . ?
C212 C213 H213 120.0 . . ?
C211 C212 H212 120.0 . . ?
C213 C212 C211 120.0 . . ?
C213 C212 H212 120.0 . . ?
C223 C222 H222 120.0 . . ?
C223 C222 C221 120.0 . . ?
C221 C222 H222 120.0 . . ?
C222 C223 H223 120.0 . . ?
C222 C223 C224 120.0 . . ?
C224 C223 H223 120.0 . . ?
C223 C224 H224 120.0 . . ?
C225 C224 C223 120.0 . . ?
C225 C224 H224 120.0 . . ?
C224 C225 H225 120.0 . . ?
C224 C225 C226 120.0 . . ?
C226 C225 H225 120.0 . . ?
C225 C226 H226 120.0 . . ?
C221 C226 C225 120.0 . . ?
C221 C226 H226 120.0 . . ?
C222 C221 P2 117.7(10) . . ?
C226 C221 P2 122.3(10) . . ?
C226 C221 C222 120.0 . . ?
C232 C231 P2 124.8(8) . . ?
C232 C231 N236 120.0 . . ?
N236 C231 P2 115.1(8) . . ?
C231 C232 H232 120.0 . . ?
C233 C232 C231 120.0 . . ?
C233 C232 H232 120.0 . . ?
C232 C233 H233 120.0 . . ?
C232 C233 C234 120.0 . . ?
C234 C233 H233 120.0 . . ?
C233 C234 H234 120.0 . . ?
C235 C234 C233 120.0 . . ?
C235 C234 H234 120.0 . . ?
C234 C235 Au5 122.3(7) . . ?
N236 C235 Au5 117.7(7) . . ?
N236 C235 C234 120.0 . . ?
C231 N236 Au4 121.4(7) . . ?
C235 N236 Au4 118.4(7) . . ?
C235 N236 C231 120.0 . . ?
C315 C314 H314 120.0 . . ?
C315 C314 C313 120.0 . . ?
C313 C314 H314 120.0 . . ?
C314 C315 H315 120.0 . . ?
C314 C315 C316 120.0 . . ?
C316 C315 H315 120.0 . . ?
C315 C316 H316 120.0 . . ?
C315 C316 C311 120.0 . . ?
C311 C316 H316 120.0 . . ?
C316 C311 P3 118.1(9) . . ?
C312 C311 P3 121.6(9) . . ?
C312 C311 C316 120.0 . . ?
C311 C312 H312 120.0 . . ?
C313 C312 C311 120.0 . . ?
C313 C312 H312 120.0 . . ?
C314 C313 H313 120.0 . . ?
C312 C313 C314 120.0 . . ?
C312 C313 H313 120.0 . . ?
C322 C321 P3 120.5(9) . . ?
C322 C321 C326 120.0 . . ?
C326 C321 P3 119.5(9) . . ?
C321 C322 H322 120.0 . . ?
C323 C322 C321 120.0 . . ?
C323 C322 H322 120.0 . . ?
C322 C323 H323 120.0 . . ?
C322 C323 C324 120.0 . . ?
C324 C323 H323 120.0 . . ?
C323 C324 H324 120.0 . . ?
C323 C324 C325 120.0 . . ?
C325 C324 H324 120.0 . . ?
C324 C325 H325 120.0 . . ?
C326 C325 C324 120.0 . . ?
C326 C325 H325 120.0 . . ?
C321 C326 H326 120.0 . . ?
C325 C326 C321 120.0 . . ?
C325 C326 H326 120.0 . . ?
C332 C331 P3 125.8(9) . . ?
C332 C331 N336 120.0 . . ?
N336 C331 P3 114.2(9) . . ?
C331 C332 H332 120.0 . . ?
C333 C332 C331 120.0 . . ?
C333 C332 H332 120.0 . . ?
C332 C333 H333 120.0 . . ?
C334 C333 C332 120.0 . . ?
C334 C333 H333 120.0 . . ?
C333 C334 H334 120.0 . . ?
C333 C334 C335 120.0 . . ?
C335 C334 H334 120.0 . . ?
C334 C335 Au1 123.9(8) . . ?
N336 C335 Au1 116.0(8) . . ?
N336 C335 C334 120.0 . . ?
C331 N336 Au2 121.8(8) . . ?
C335 N336 Au2 118.2(8) . . ?
C335 N336 C331 120.0 . . ?
C412 C411 P4 117.4(10) . . ?
C412 C411 C416 120.0 . . ?
C416 C411 P4 122.3(10) . . ?
C411 C412 H412 120.0 . . ?
C411 C412 C413 120.0 . . ?
C413 C412 H412 120.0 . . ?
C412 C413 H413 120.0 . . ?
C414 C413 C412 120.0 . . ?
C414 C413 H413 120.0 . . ?
C413 C414 H414 120.0 . . ?
C415 C414 C413 120.0 . . ?
C415 C414 H414 120.0 . . ?
C414 C415 H415 120.0 . . ?
C414 C415 C416 120.0 . . ?
C416 C415 H415 120.0 . . ?
C411 C416 H416 120.0 . . ?
C415 C416 C411 120.0 . . ?
C415 C416 H416 120.0 . . ?
C422 C421 P4 119.2(10) . . ?
C422 C421 C426 120.0 . . ?
C426 C421 P4 120.1(10) . . ?
C421 C422 H422 120.0 . . ?
C423 C422 C421 120.0 . . ?
C423 C422 H422 120.0 . . ?
C422 C423 H423 120.0 . . ?
C422 C423 C424 120.0 . . ?
C424 C423 H423 120.0 . . ?
C423 C424 H424 120.0 . . ?
C425 C424 C423 120.0 . . ?
C425 C424 H424 120.0 . . ?
C424 C425 H425 120.0 . . ?
C424 C425 C426 120.0 . . ?
C426 C425 H425 120.0 . . ?
C421 C426 H426 120.0 . . ?
C425 C426 C421 120.0 . . ?
C425 C426 H426 120.0 . . ?
N436 C431 P4 114.7(9) . . ?
N436 C431 C432 120.0 . . ?
C432 C431 P4 125.3(9) . . ?
C431 N436 Au5 121.3(8) . . ?
C435 N436 Au5 118.6(8) . . ?
C435 N436 C431 120.0 . . ?
N436 C435 Au6 117.1(8) . . ?
N436 C435 C434 120.0 . . ?
C434 C435 Au6 122.8(8) . . ?
C435 C434 H434 120.0 . . ?
C433 C434 C435 120.0 . . ?
C433 C434 H434 120.0 . . ?
C434 C433 H433 120.0 . . ?
C434 C433 C432 120.0 . . ?
C432 C433 H433 120.0 . . ?
C431 C432 H432 120.0 . . ?
C433 C432 C431 120.0 . . ?
C433 C432 H432 120.0 . . ?
C511 C512 H512 120.0 . . ?
C511 C512 C513 120.0 . . ?
C513 C512 H512 120.0 . . ?
C512 C511 P5 123.9(11) . . ?
C516 C511 P5 116.1(11) . . ?
C516 C511 C512 120.0 . . ?
C511 C516 H516 120.0 . . ?
C511 C516 C515 120.0 . . ?
C515 C516 H516 120.0 . . ?
C516 C515 H515 120.0 . . ?
C514 C515 C516 120.0 . . ?
C514 C515 H515 120.0 . . ?
C515 C514 H514 120.0 . . ?
C513 C514 C515 120.0 . . ?
C513 C514 H514 120.0 . . ?
C512 C513 H513 120.0 . . ?
C514 C513 C512 120.0 . . ?
C514 C513 H513 120.0 . . ?
C522 C521 P5 117.6(11) . . ?
C522 C521 C526 120.0 . . ?
C526 C521 P5 122.4(11) . . ?
C521 C522 H522 120.0 . . ?
C521 C522 C523 120.0 . . ?
C523 C522 H522 120.0 . . ?
C522 C523 H523 120.0 . . ?
C524 C523 C522 120.0 . . ?
C524 C523 H523 120.0 . . ?
C523 C524 H524 120.0 . . ?
C523 C524 C525 120.0 . . ?
C525 C524 H524 120.0 . . ?
C524 C525 H525 120.0 . . ?
C524 C525 C526 120.0 . . ?
C526 C525 H525 120.0 . . ?
C521 C526 H526 120.0 . . ?
C525 C526 C521 120.0 . . ?
C525 C526 H526 120.0 . . ?
C534 C535 Au2 122.7(9) . . ?
C534 C535 N536 120.0 . . ?
N536 C535 Au2 117.2(9) . . ?
C535 C534 H534 120.0 . . ?
C535 C534 C533 120.0 . . ?
C533 C534 H534 120.0 . . ?
C534 C533 H533 120.0 . . ?
C532 C533 C534 120.0 . . ?
C532 C533 H533 120.0 . . ?
C533 C532 H532 120.0 . . ?
C531 C532 C533 120.0 . . ?
C531 C532 H532 120.0 . . ?
C532 C531 P5 125.2(10) . . ?
C532 C531 N536 120.0 . . ?
N536 C531 P5 114.8(10) . . ?
C535 N536 Au3 118.4(9) . . ?
C531 N536 Au3 121.5(9) . . ?
C531 N536 C535 120.0 . . ?
C614 C613 H613 120.0 . . ?
C614 C613 C612 120.0 . . ?
C612 C613 H613 120.0 . . ?
C613 C614 H614 120.0 . . ?
C615 C614 C613 120.0 . . ?
C615 C614 H614 120.0 . . ?
C614 C615 H615 120.0 . . ?
C614 C615 C616 120.0 . . ?
C616 C615 H615 120.0 . . ?
C615 C616 H616 120.0 . . ?
C611 C616 C615 120.0 . . ?
C611 C616 H616 120.0 . . ?
C616 C611 P6 121.4(11) . . ?
C616 C611 C612 120.0 . . ?
C612 C611 P6 118.6(11) . . ?
C613 C612 H612 120.0 . . ?
C611 C612 C613 120.0 . . ?
C611 C612 H612 120.0 . . ?
C622 C621 P6 122.4(10) . . ?
C622 C621 C626 120.0 . . ?
C626 C621 P6 117.5(10) . . ?
C621 C622 H622 120.0 . . ?
C623 C622 C621 120.0 . . ?
C623 C622 H622 120.0 . . ?
C622 C623 H623 120.0 . . ?
C622 C623 C624 120.0 . . ?
C624 C623 H623 120.0 . . ?
C623 C624 H624 120.0 . . ?
C623 C624 C625 120.0 . . ?
C625 C624 H624 120.0 . . ?
C624 C625 H625 120.0 . . ?
C626 C625 C624 120.0 . . ?
C626 C625 H625 120.0 . . ?
C621 C626 H626 120.0 . . ?
C625 C626 C621 120.0 . . ?
C625 C626 H626 120.0 . . ?
N636 C631 P6 115.3(10) . . ?
N636 C631 C632 120.0 . . ?
C632 C631 P6 124.7(10) . . ?
C631 N636 Au6 119.9(9) . . ?
C631 N636 C635 120.0 . . ?
C635 N636 Au6 120.0(9) . . ?
N636 C635 Au4 116.1(9) . . ?
C634 C635 Au4 123.8(9) . . ?
C634 C635 N636 120.0 . . ?
C635 C634 H634 120.0 . . ?
C635 C634 C633 120.0 . . ?
C633 C634 H634 120.0 . . ?
C634 C633 H633 120.0 . . ?
C632 C633 C634 120.0 . . ?
C632 C633 H633 120.0 . . ?
C631 C632 H632 120.0 . . ?
C633 C632 C631 120.0 . . ?
C633 C632 H632 120.0 . . ?
F2 B1 F1 101(6) . . ?
F2 B1 F3 126(8) . . ?
F2 B1 F4 107(7) . . ?
F3 B1 F1 112(6) . . ?
F3 B1 F4 108(6) . . ?
F4 B1 F1 99(5) . . ?
F5 B2 F6 105(6) . . ?
F5 B2 F8 104(6) . . ?
F6 B2 F8 104(6) . . ?
F7 B2 F5 125(7) . . ?
F7 B2 F6 109(7) . . ?
F7 B2 F8 107(6) . . ?
F10 B3 F9 101(4) . . ?
F11 B3 F9 106(4) . . ?
F11 B3 F10 105(4) . . ?
F12 B3 F9 109(4) . . ?
F12 B3 F10 118(5) . . ?
F12 B3 F11 116(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 N136 C135 Au3 3.6(13) . . . . ?
Au1 N136 C135 C134 -175.7(13) . . . . ?
Au1 C335 N336 Au2 -1.0(12) . . . . ?
Au1 C335 N336 C331 -178.6(13) . . . . ?
Au2 C535 C534 C533 -175.9(16) . . . . ?
Au2 C535 N536 Au3 -0.3(14) . . . . ?
Au2 C535 N536 C531 176.1(15) . . . . ?
Au4 C635 C634 C633 177.2(16) . . . . ?
Au5 C235 N236 Au4 4.4(11) . . . . ?
Au5 C235 N236 C231 179.6(12) . . . . ?
Au5 N436 C435 Au6 -0.7(12) . . . . ?
Au5 N436 C435 C434 -177.3(12) . . . . ?
Au6 C435 C434 C433 -176.4(14) . . . . ?
Au6 N636 C635 Au4 1.1(14) . . . . ?
Au6 N636 C635 C634 178.5(14) . . . . ?
Au7 P1 C111 C112 138.9(10) . . . . ?
Au7 P1 C111 C116 -45.9(13) . . . . ?
Au7 P1 C121 C126 132.3(10) . . . . ?
Au7 P1 C121 C122 -47.0(14) . . . . ?
Au7 P1 C131 C132 133.1(10) . . . . ?
Au7 P1 C131 N136 -51.1(12) . . . . ?
Au7 P2 C211 C216 154.4(10) . . . . ?
Au7 P2 C211 C212 -39.0(14) . . . . ?
Au7 P2 C221 C222 -36.2(11) . . . . ?
Au7 P2 C221 C226 142.4(8) . . . . ?
Au7 P2 C231 C232 134.6(8) . . . . ?
Au7 P2 C231 N236 -50.2(10) . . . . ?
Au8 P3 C311 C316 -40.5(12) . . . . ?
Au8 P3 C311 C312 145.4(8) . . . . ?
Au8 P3 C321 C322 150.9(9) . . . . ?
Au8 P3 C321 C326 -30.1(12) . . . . ?
Au8 P3 C331 C332 125.5(10) . . . . ?
Au8 P3 C331 N336 -53.9(11) . . . . ?
Au8 P4 C411 C412 -32.9(12) . . . . ?
Au8 P4 C411 C416 152.5(9) . . . . ?
Au8 P4 C421 C422 -30.8(12) . . . . ?
Au8 P4 C421 C426 158.4(8) . . . . ?
Au8 P4 C431 N436 -50.3(11) . . . . ?
Au8 P4 C431 C432 129.8(10) . . . . ?
Au9 P5 C511 C512 136.1(10) . . . . ?
Au9 P5 C511 C516 -45.5(12) . . . . ?
Au9 P5 C521 C522 -40.1(14) . . . . ?
Au9 P5 C521 C526 141.3(10) . . . . ?
Au9 P5 C531 C532 133.1(11) . . . . ?
Au9 P5 C531 N536 -46.0(13) . . . . ?
Au9 P6 C611 C616 157.9(10) . . . . ?
Au9 P6 C611 C612 -20.5(15) . . . . ?
Au9 P6 C621 C622 132.4(10) . . . . ?
Au9 P6 C621 C626 -43.6(13) . . . . ?
Au9 P6 C631 N636 -53.7(13) . . . . ?
Au9 P6 C631 C632 126.9(11) . . . . ?
P1 C111 C116 C115 -175.3(15) . . . . ?
P1 C121 C122 C123 179.4(17) . . . . ?
P1 C131 N136 Au1 -0.3(14) . . . . ?
P1 C131 N136 C135 -176.0(15) . . . . ?
P2 C211 C216 C215 166.3(17) . . . . ?
P2 C211 C212 C213 -166.6(17) . . . . ?
P2 C231 C232 C233 175.0(14) . . . . ?
P2 C231 N236 Au4 -0.5(12) . . . . ?
P2 C231 N236 C235 -175.5(12) . . . . ?
P3 C311 C312 C313 174.0(14) . . . . ?
P3 C321 C322 C323 179.0(15) . . . . ?
P3 C321 C326 C325 -179.0(14) . . . . ?
P3 C331 C332 C333 -179.4(15) . . . . ?
P3 C331 N336 Au2 1.9(13) . . . . ?
P3 C331 N336 C335 179.4(13) . . . . ?
P4 C411 C412 C413 -174.7(15) . . . . ?
P4 C411 C416 C415 174.4(15) . . . . ?
P4 C421 C422 C423 -170.9(14) . . . . ?
P4 C421 C426 C425 170.8(14) . . . . ?
P4 C431 N436 Au5 -2.7(13) . . . . ?
P4 C431 N436 C435 -179.9(14) . . . . ?
P4 C431 C432 C433 179.9(16) . . . . ?
P5 C511 C516 C515 -178.5(14) . . . . ?
P5 C521 C522 C523 -178.6(16) . . . . ?
P5 C521 C526 C525 178.6(16) . . . . ?
P5 C531 N536 Au3 -4.6(15) . . . . ?
P5 C531 N536 C535 179.1(16) . . . . ?
P6 C611 C612 C613 178.5(17) . . . . ?
P6 C621 C622 C623 -175.9(16) . . . . ?
P6 C621 C626 C625 176.1(15) . . . . ?
P6 C631 N636 Au6 2.0(15) . . . . ?
P6 C631 N636 C635 -179.5(16) . . . . ?
P6 C631 C632 C633 179.4(17) . . . . ?
C112 C111 C116 C115 0.0 . . . . ?
C111 P1 C121 C126 -99.9(14) . . . . ?
C111 P1 C121 C122 80.7(14) . . . . ?
C111 P1 C131 C132 6.8(15) . . . . ?
C111 P1 C131 N136 -177.3(11) . . . . ?
C111 C112 C113 C114 0.0 . . . . ?
C111 C116 C115 C114 0.0 . . . . ?
C116 C115 C114 C113 0.0 . . . . ?
C115 C114 C113 C112 0.0 . . . . ?
C113 C112 C111 P1 175.1(16) . . . . ?
C113 C112 C111 C116 0.0 . . . . ?
C124 C125 C126 C121 0.0 . . . . ?
C125 C124 C123 C122 0.0 . . . . ?
C125 C126 C121 P1 -179.3(17) . . . . ?
C125 C126 C121 C122 0.0 . . . . ?
C126 C121 C122 C123 0.0 . . . . ?
C121 P1 C111 C112 13.7(14) . . . . ?
C121 P1 C111 C116 -171.1(11) . . . . ?
C121 P1 C131 C132 -105.7(13) . . . . ?
C121 P1 C131 N136 70.1(13) . . . . ?
C121 C122 C123 C124 0.0 . . . . ?
C123 C124 C125 C126 0.0 . . . . ?
C134 C133 C132 C131 0.0 . . . . ?
C133 C134 C135 Au3 -179.3(15) . . . . ?
C133 C134 C135 N136 0.0 . . . . ?
C133 C132 C131 P1 175.7(16) . . . . ?
C133 C132 C131 N136 0.0 . . . . ?
C132 C131 N136 Au1 175.7(13) . . . . ?
C132 C131 N136 C135 0.0 . . . . ?
C131 P1 C111 C112 -97.6(13) . . . . ?
C131 P1 C111 C116 77.6(13) . . . . ?
C131 P1 C121 C126 11.2(15) . . . . ?
C131 P1 C121 C122 -168.2(12) . . . . ?
C131 N136 C135 Au3 179.4(14) . . . . ?
C131 N136 C135 C134 0.0 . . . . ?
C135 C134 C133 C132 0.0 . . . . ?
C211 P2 C221 C222 93.8(12) . . . . ?
C211 P2 C221 C226 -87.7(12) . . . . ?
C211 P2 C231 C232 8.8(13) . . . . ?
C211 P2 C231 N236 -175.9(10) . . . . ?
C211 C216 C215 C214 0.0 . . . . ?
C216 C211 C212 C213 0.0 . . . . ?
C216 C215 C214 C213 0.0 . . . . ?
C215 C214 C213 C212 0.0 . . . . ?
C214 C213 C212 C211 0.0 . . . . ?
C212 C211 C216 C215 0.0 . . . . ?
C222 C223 C224 C225 0.0 . . . . ?
C223 C222 C221 P2 178.6(13) . . . . ?
C223 C222 C221 C226 0.0 . . . . ?
C223 C224 C225 C226 0.0 . . . . ?
C224 C225 C226 C221 0.0 . . . . ?
C225 C226 C221 P2 -178.5(14) . . . . ?
C225 C226 C221 C222 0.0 . . . . ?
C221 P2 C211 C216 25.5(15) . . . . ?
C221 P2 C211 C212 -168.0(12) . . . . ?
C221 P2 C231 C232 -100.8(12) . . . . ?
C221 P2 C231 N236 74.4(11) . . . . ?
C221 C222 C223 C224 0.0 . . . . ?
C231 P2 C211 C216 -84.7(14) . . . . ?
C231 P2 C211 C212 81.9(14) . . . . ?
C231 P2 C221 C222 -157.1(9) . . . . ?
C231 P2 C221 C226 21.5(12) . . . . ?
C231 C232 C233 C234 0.0 . . . . ?
C232 C231 N236 Au4 175.0(12) . . . . ?
C232 C231 N236 C235 0.0 . . . . ?
C232 C233 C234 C235 0.0 . . . . ?
C233 C234 C235 Au5 -179.6(12) . . . . ?
C233 C234 C235 N236 0.0 . . . . ?
C234 C235 N236 Au4 -175.2(11) . . . . ?
C234 C235 N236 C231 0.0 . . . . ?
N236 C231 C232 C233 0.0 . . . . ?
C314 C315 C316 C311 0.0 . . . . ?
C315 C314 C313 C312 0.0 . . . . ?
C315 C316 C311 P3 -174.2(14) . . . . ?
C315 C316 C311 C312 0.0 . . . . ?
C316 C311 C312 C313 0.0 . . . . ?
C311 P3 C321 C322 -79.4(13) . . . . ?
C311 P3 C321 C326 99.6(12) . . . . ?
C311 P3 C331 C332 0.6(13) . . . . ?
C311 P3 C331 N336 -178.8(10) . . . . ?
C311 C312 C313 C314 0.0 . . . . ?
C313 C314 C315 C316 0.0 . . . . ?
C321 P3 C311 C316 -169.1(10) . . . . ?
C321 P3 C311 C312 16.8(13) . . . . ?
C321 P3 C331 C332 -110.8(12) . . . . ?
C321 P3 C331 N336 69.7(12) . . . . ?
C321 C322 C323 C324 0.0 . . . . ?
C322 C321 C326 C325 0.0 . . . . ?
C322 C323 C324 C325 0.0 . . . . ?
C323 C324 C325 C326 0.0 . . . . ?
C324 C325 C326 C321 0.0 . . . . ?
C326 C321 C322 C323 0.0 . . . . ?
C331 P3 C311 C316 80.8(12) . . . . ?
C331 P3 C311 C312 -93.3(12) . . . . ?
C331 P3 C321 C322 29.6(13) . . . . ?
C331 P3 C321 C326 -151.4(10) . . . . ?
C331 C332 C333 C334 0.0 . . . . ?
C332 C331 N336 Au2 -177.5(13) . . . . ?
C332 C331 N336 C335 0.0 . . . . ?
C332 C333 C334 C335 0.0 . . . . ?
C333 C334 C335 Au1 178.5(14) . . . . ?
C333 C334 C335 N336 0.0 . . . . ?
C334 C335 N336 Au2 177.6(12) . . . . ?
C334 C335 N336 C331 0.0 . . . . ?
N336 C331 C332 C333 0.0 . . . . ?
C411 P4 C421 C422 96.4(12) . . . . ?
C411 P4 C421 C426 -74.5(12) . . . . ?
C411 P4 C431 N436 -174.2(10) . . . . ?
C411 P4 C431 C432 5.8(14) . . . . ?
C411 C412 C413 C414 0.0 . . . . ?
C412 C411 C416 C415 0.0 . . . . ?
C412 C413 C414 C415 0.0 . . . . ?
C413 C414 C415 C416 0.0 . . . . ?
C414 C415 C416 C411 0.0 . . . . ?
C416 C411 C412 C413 0.0 . . . . ?
C421 P4 C411 C412 -160.6(10) . . . . ?
C421 P4 C411 C416 24.9(14) . . . . ?
C421 P4 C431 N436 74.0(12) . . . . ?
C421 P4 C431 C432 -106.0(12) . . . . ?
C421 C422 C423 C424 0.0 . . . . ?
C422 C421 C426 C425 0.0 . . . . ?
C422 C423 C424 C425 0.0 . . . . ?
C423 C424 C425 C426 0.0 . . . . ?
C424 C425 C426 C421 0.0 . . . . ?
C426 C421 C422 C423 0.0 . . . . ?
C431 P4 C411 C412 88.3(12) . . . . ?
C431 P4 C411 C416 -86.2(13) . . . . ?
C431 P4 C421 C422 -151.6(10) . . . . ?
C431 P4 C421 C426 37.5(12) . . . . ?
C431 N436 C435 Au6 176.6(13) . . . . ?
C431 N436 C435 C434 0.0 . . . . ?
N436 C431 C432 C433 0.0 . . . . ?
N436 C435 C434 C433 0.0 . . . . ?
C435 C434 C433 C432 0.0 . . . . ?
C434 C433 C432 C431 0.0 . . . . ?
C432 C431 N436 Au5 177.2(13) . . . . ?
C432 C431 N436 C435 0.0 . . . . ?
C512 C511 C516 C515 0.0 . . . . ?
C511 P5 C521 C522 -172.5(12) . . . . ?
C511 P5 C521 C526 9.0(15) . . . . ?
C511 P5 C531 C532 -101.5(14) . . . . ?
C511 P5 C531 N536 79.4(13) . . . . ?
C511 C512 C513 C514 0.0 . . . . ?
C511 C516 C515 C514 0.0 . . . . ?
C516 C515 C514 C513 0.0 . . . . ?
C515 C514 C513 C512 0.0 . . . . ?
C513 C512 C511 P5 178.3(15) . . . . ?
C513 C512 C511 C516 0.0 . . . . ?
C521 P5 C511 C512 -91.3(13) . . . . ?
C521 P5 C511 C516 87.1(13) . . . . ?
C521 P5 C531 C532 6.5(15) . . . . ?
C521 P5 C531 N536 -172.6(11) . . . . ?
C521 C522 C523 C524 0.0 . . . . ?
C522 C521 C526 C525 0.0 . . . . ?
C522 C523 C524 C525 0.0 . . . . ?
C523 C524 C525 C526 0.0 . . . . ?
C524 C525 C526 C521 0.0 . . . . ?
C526 C521 C522 C523 0.0 . . . . ?
C535 C534 C533 C532 0.0 . . . . ?
C534 C535 N536 Au3 -176.4(14) . . . . ?
C534 C535 N536 C531 0.0 . . . . ?
C534 C533 C532 C531 0.0 . . . . ?
C533 C532 C531 P5 -179.0(18) . . . . ?
C533 C532 C531 N536 0.0 . . . . ?
C532 C531 N536 Au3 176.3(15) . . . . ?
C532 C531 N536 C535 0.0 . . . . ?
C531 P5 C511 C512 16.0(13) . . . . ?
C531 P5 C511 C516 -165.6(10) . . . . ?
C531 P5 C521 C522 81.1(14) . . . . ?
C531 P5 C521 C526 -97.5(14) . . . . ?
N536 C535 C534 C533 0.0 . . . . ?
C613 C614 C615 C616 0.0 . . . . ?
C614 C613 C612 C611 0.0 . . . . ?
C614 C615 C616 C611 0.0 . . . . ?
C615 C616 C611 P6 -178.5(17) . . . . ?
C615 C616 C611 C612 0.0 . . . . ?
C616 C611 C612 C613 0.0 . . . . ?
C611 P6 C621 C622 -99.5(13) . . . . ?
C611 P6 C621 C626 84.5(13) . . . . ?
C611 P6 C631 N636 179.1(12) . . . . ?
C611 P6 C631 C632 -0.3(15) . . . . ?
C612 C613 C614 C615 0.0 . . . . ?
C621 P6 C611 C616 31.8(14) . . . . ?
C621 P6 C611 C612 -146.7(12) . . . . ?
C621 P6 C631 N636 70.6(14) . . . . ?
C621 P6 C631 C632 -108.8(13) . . . . ?
C621 C622 C623 C624 0.0 . . . . ?
C622 C621 C626 C625 0.0 . . . . ?
C622 C623 C624 C625 0.0 . . . . ?
C623 C624 C625 C626 0.0 . . . . ?
C624 C625 C626 C621 0.0 . . . . ?
C626 C621 C622 C623 0.0 . . . . ?
C631 P6 C611 C616 -77.4(15) . . . . ?
C631 P6 C611 C612 104.1(14) . . . . ?
C631 P6 C621 C622 8.7(14) . . . . ?
C631 P6 C621 C626 -167.3(11) . . . . ?
C631 N636 C635 Au4 -177.4(15) . . . . ?
C631 N636 C635 C634 0.0 . . . . ?
N636 C631 C632 C633 0.0 . . . . ?
N636 C635 C634 C633 0.0 . . . . ?
C635 C634 C633 C632 0.0 . . . . ?
C634 C633 C632 C631 0.0 . . . . ?
C632 C631 N636 Au6 -178.5(14) . . . . ?
C632 C631 N636 C635 0.0 . . . . ?

_shelx_SHELXL_version_number     2014/7

_olex2_submission_special_instructions 'No special instructions were received'
# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.380 -0.106 0.103 4943 1624 ' '
2 0.780 0.246 0.769 6 1 ' '
3 0.280 0.254 0.769 5 1 ' '
4 0.720 0.746 0.269 6 1 ' '
5 0.220 0.754 0.269 5 1 ' '
_platon_squeeze_details          
;
;
