# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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_10a
_database_code_depnum_ccdc_archive 'CCDC 1568247'
_audit_update_record             
;
2017-08-10 deposited with the CCDC.
2017-10-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C14 H20 Au Cl N2 O2'
_chemical_formula_sum            'C14 H20 Au Cl N2 O2'
_chemical_formula_weight         480.74

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'
Cl Cl 0.1484 0.1585 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'


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

_cell_length_a                   10.5095(2)
_cell_length_b                   12.0198(3)
_cell_length_c                   13.0933(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     1653.97(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    15166
_cell_measurement_theta_min      3.7370
_cell_measurement_theta_max      29.5520

_exptl_crystal_description       needle
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    1.931
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             920
_exptl_absorpt_coefficient_mu    9.058
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2645
_exptl_absorpt_correction_T_max  0.6601
_exptl_absorpt_process_details   
;                                                                 
CrysAlisPro 1.171.39.12b (Rigaku Oxford Diffraction, 2015)        
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model              
Empirical absorption correction using spherical harmonics,        
 implemented in SCALE3 ABSPACK scaling algorithm.                 
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'XtaLAB AFC12 (RCD3): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            27496
_diffrn_reflns_av_R_equivalents  0.0654
_diffrn_reflns_av_sigmaI/netI    0.0371
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         3.67
_diffrn_reflns_theta_max         27.48
_reflns_number_total             3780
_reflns_number_gt                3659
_reflns_threshold_expression     'I > 2σ(I)'

_computing_data_collection       'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP (Johnson, 1976 and Farrugia, 1997)'
_computing_publication_material  
'SHELXL-97 (Sheldrick, 2008) and WINGX (Farrugia, 1999)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0300P)²+0.1000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.033(8)
_refine_ls_number_reflns         3780
_refine_ls_number_parameters     185
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0275
_refine_ls_R_factor_gt           0.0256
_refine_ls_wR_factor_ref         0.0557
_refine_ls_wR_factor_gt          0.0550
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.027
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.605704(17) 0.781524(15) 0.295967(13) 0.01838(6) Uani 1 1 d . . .
Cl1 Cl 0.77415(11) 0.89762(11) 0.26196(9) 0.0228(3) Uani 1 1 d . . .
O2 O 0.4759(3) 0.8091(3) 0.6510(2) 0.0215(8) Uani 1 1 d . . .
C1 C 0.4666(5) 0.6723(4) 0.3265(3) 0.0194(10) Uani 1 1 d . . .
N2 N 0.4006(4) 0.6728(3) 0.4142(3) 0.0209(9) Uani 1 1 d . . .
O1 O 0.5698(3) 0.6593(4) 0.5812(3) 0.0323(9) Uani 1 1 d . . .
C4 C 0.6806(5) 0.5285(4) 0.0602(4) 0.0233(11) Uani 1 1 d . . .
H4A H 0.7639 0.4985 0.0540 0.028 Uiso 1 1 calc R . .
N1 N 0.4407(4) 0.5921(4) 0.2602(3) 0.0215(9) Uani 1 1 d . . .
H1A H 0.3835 0.5419 0.2770 0.026 Uiso 1 1 calc R . .
C5 C 0.6165(6) 0.5651(4) -0.0258(4) 0.0267(11) Uani 1 1 d . . .
H5A H 0.6566 0.5600 -0.0907 0.032 Uiso 1 1 calc R . .
C3 C 0.6231(5) 0.5358(4) 0.1561(4) 0.0197(10) Uani 1 1 d . . .
C13 C 0.5437(5) 0.7915(5) 0.7464(3) 0.0245(11) Uani 1 1 d . . .
H13A H 0.6341 0.8131 0.7389 0.029 Uiso 1 1 calc R . .
H13B H 0.5400 0.7120 0.7662 0.029 Uiso 1 1 calc R . .
C11 C 0.4129(5) 0.7639(4) 0.4863(4) 0.0218(11) Uani 1 1 d . . .
H11A H 0.3273 0.7854 0.5108 0.026 Uiso 1 1 calc R . .
H11B H 0.4502 0.8290 0.4509 0.026 Uiso 1 1 calc R . .
C8 C 0.6897(6) 0.4901(5) 0.2496(4) 0.0283(12) Uani 1 1 d . . .
H8A H 0.7647 0.4475 0.2285 0.042 Uiso 1 1 calc R . .
H8B H 0.6314 0.4415 0.2872 0.042 Uiso 1 1 calc R . .
H8C H 0.7162 0.5518 0.2936 0.042 Uiso 1 1 calc R . .
C2 C 0.5015(5) 0.5831(4) 0.1620(3) 0.0172(10) Uani 1 1 d . . .
C12 C 0.4955(5) 0.7341(5) 0.5771(4) 0.0224(11) Uani 1 1 d . . .
C7 C 0.4370(5) 0.6203(4) 0.0754(4) 0.0210(11) Uani 1 1 d . . .
C14 C 0.4804(5) 0.8621(5) 0.8264(4) 0.0289(12) Uani 1 1 d . . .
H14A H 0.5248 0.8530 0.8917 0.043 Uiso 1 1 calc R . .
H14B H 0.3914 0.8390 0.8341 0.043 Uiso 1 1 calc R . .
H14C H 0.4835 0.9403 0.8056 0.043 Uiso 1 1 calc R . .
C6 C 0.4961(5) 0.6085(4) -0.0189(4) 0.0238(11) Uani 1 1 d . . .
H6A H 0.4527 0.6308 -0.0792 0.029 Uiso 1 1 calc R . .
C9 C 0.3072(5) 0.6708(5) 0.0843(4) 0.0276(12) Uani 1 1 d . . .
H9A H 0.2777 0.6942 0.0167 0.041 Uiso 1 1 calc R . .
H9B H 0.3108 0.7355 0.1298 0.041 Uiso 1 1 calc R . .
H9C H 0.2480 0.6156 0.1124 0.041 Uiso 1 1 calc R . .
C10 C 0.3157(6) 0.5811(5) 0.4436(4) 0.0275(12) Uani 1 1 d . . .
H10A H 0.3597 0.5100 0.4337 0.041 Uiso 1 1 calc R . .
H10B H 0.2391 0.5830 0.4010 0.041 Uiso 1 1 calc R . .
H10C H 0.2918 0.5891 0.5155 0.041 Uiso 1 1 calc R . .


_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 2.006(5) . ?
Au1 Cl1 2.2977(12) . ?
O2 C12 1.339(6) . ?
O2 C13 1.453(5) . ?
C1 N1 1.325(6) . ?
C1 N2 1.342(6) . ?
N2 C11 1.451(6) . ?
N2 C10 1.469(7) . ?
O1 C12 1.193(6) . ?
C4 C5 1.385(7) . ?
C4 C3 1.396(7) . ?
C4 H4A 0.9500 . ?
N1 C2 1.440(6) . ?
N1 H1A 0.8800 . ?
C5 C6 1.372(8) . ?
C5 H5A 0.9500 . ?
C3 C2 1.401(7) . ?
C3 C8 1.513(7) . ?
C13 C14 1.503(7) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C11 C12 1.515(7) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C2 C7 1.395(7) . ?
C7 C6 1.389(7) . ?
C7 C9 1.498(7) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C6 H6A 0.9500 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Au1 Cl1 176.37(15) . . ?
C12 O2 C13 116.7(4) . . ?
N1 C1 N2 117.3(4) . . ?
N1 C1 Au1 119.7(3) . . ?
N2 C1 Au1 123.0(4) . . ?
C1 N2 C11 120.9(4) . . ?
C1 N2 C10 122.3(4) . . ?
C11 N2 C10 116.8(4) . . ?
C5 C4 C3 120.1(5) . . ?
C5 C4 H4A 120.0 . . ?
C3 C4 H4A 120.0 . . ?
C1 N1 C2 123.3(4) . . ?
C1 N1 H1A 118.4 . . ?
C2 N1 H1A 118.4 . . ?
C6 C5 C4 121.1(5) . . ?
C6 C5 H5A 119.5 . . ?
C4 C5 H5A 119.5 . . ?
C4 C3 C2 118.1(4) . . ?
C4 C3 C8 120.3(5) . . ?
C2 C3 C8 121.6(4) . . ?
O2 C13 C14 107.4(4) . . ?
O2 C13 H13A 110.2 . . ?
C14 C13 H13A 110.2 . . ?
O2 C13 H13B 110.2 . . ?
C14 C13 H13B 110.2 . . ?
H13A C13 H13B 108.5 . . ?
N2 C11 C12 112.5(4) . . ?
N2 C11 H11A 109.1 . . ?
C12 C11 H11A 109.1 . . ?
N2 C11 H11B 109.1 . . ?
C12 C11 H11B 109.1 . . ?
H11A C11 H11B 107.8 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C2 C3 121.9(4) . . ?
C7 C2 N1 119.1(4) . . ?
C3 C2 N1 119.0(4) . . ?
O1 C12 O2 125.1(4) . . ?
O1 C12 C11 126.1(5) . . ?
O2 C12 C11 108.7(4) . . ?
C6 C7 C2 118.2(4) . . ?
C6 C7 C9 121.2(4) . . ?
C2 C7 C9 120.6(4) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C5 C6 C7 120.7(5) . . ?
C5 C6 H6A 119.7 . . ?
C7 C6 H6A 119.7 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N2 C10 H10A 109.5 . . ?
N2 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
N2 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Cl1 Au1 C1 N1 -67(2) . . . . ?
Cl1 Au1 C1 N2 110(2) . . . . ?
N1 C1 N2 C11 -173.3(4) . . . . ?
Au1 C1 N2 C11 9.7(6) . . . . ?
N1 C1 N2 C10 8.2(7) . . . . ?
Au1 C1 N2 C10 -168.7(4) . . . . ?
N2 C1 N1 C2 178.3(4) . . . . ?
Au1 C1 N1 C2 -4.7(6) . . . . ?
C3 C4 C5 C6 -0.2(8) . . . . ?
C5 C4 C3 C2 -1.6(8) . . . . ?
C5 C4 C3 C8 176.6(5) . . . . ?
C12 O2 C13 C14 -163.5(4) . . . . ?
C1 N2 C11 C12 -103.0(5) . . . . ?
C10 N2 C11 C12 75.5(6) . . . . ?
C4 C3 C2 C7 1.4(8) . . . . ?
C8 C3 C2 C7 -176.8(5) . . . . ?
C4 C3 C2 N1 -179.6(4) . . . . ?
C8 C3 C2 N1 2.3(7) . . . . ?
C1 N1 C2 C7 -100.5(6) . . . . ?
C1 N1 C2 C3 80.5(6) . . . . ?
C13 O2 C12 O1 -5.3(7) . . . . ?
C13 O2 C12 C11 177.6(4) . . . . ?
N2 C11 C12 O1 18.8(7) . . . . ?
N2 C11 C12 O2 -164.2(4) . . . . ?
C3 C2 C7 C6 0.5(8) . . . . ?
N1 C2 C7 C6 -178.5(5) . . . . ?
C3 C2 C7 C9 -179.9(5) . . . . ?
N1 C2 C7 C9 1.0(7) . . . . ?
C4 C5 C6 C7 2.1(8) . . . . ?
C2 C7 C6 C5 -2.3(8) . . . . ?
C9 C7 C6 C5 178.1(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.484
_refine_diff_density_min         -1.226
_refine_diff_density_rms         0.125

_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH2Cl2, hexane'
####################################################################### 
# 
# 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_11a
_database_code_depnum_ccdc_archive 'CCDC 1568248'
_audit_update_record             
;
2017-08-10 deposited with the CCDC.
2017-10-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C19 H30 Au N5 P, F6 P, C H2 Cl2'
_chemical_formula_sum            'C20 H32 Au Cl2 F6 N5 P2'
_chemical_formula_weight         786.31

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'


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                   13.6153(2)
_cell_length_b                   12.5760(2)
_cell_length_c                   16.6816(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 106.059(2)
_cell_angle_gamma                90.00
_cell_volume                     2744.86(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    140.0(8)
_cell_measurement_reflns_used    14929
_cell_measurement_theta_min      3.4220
_cell_measurement_theta_max      32.1620

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    1.903
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1536
_exptl_absorpt_coefficient_mu    5.732
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4252
_exptl_absorpt_correction_T_max  0.7249
_exptl_absorpt_process_details   
;                                                             
 CrysAlisPro RED, Oxford Diffraction Ltd., Version 1.171.33.66
 Empirical absorption correction using spherical harmonics,   
  implemented in SCALE3 ABSPACK scaling algorithm.            
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      140.0(8)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur 3/Sapphire3 CCD'
_diffrn_measurement_method       'Thin slice ω scans'
_diffrn_detector_area_resol_mean 16.0050
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            28505
_diffrn_reflns_av_R_equivalents  0.0270
_diffrn_reflns_av_sigmaI/netI    0.0226
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         3.43
_diffrn_reflns_theta_max         28.00
_reflns_number_total             6603
_reflns_number_gt                6075
_reflns_threshold_expression     I>2sigma(I)

_computing_data_collection       
;                                                                         
CrysAlisPro, Agilent Technologies,                                        
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)                 
(compiled Sep 14 2012,17:21:16)                                           
;
_computing_cell_refinement       
;                                                                         
CrysAlisPro, Agilent Technologies,                                        
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)                 
(compiled Sep 14 2012,17:21:16)                                           
;
_computing_data_reduction        
;                                                                         
CrysAlisPro, Agilent Technologies,                                        
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)                 
(compiled Sep 14 2012,17:21:16)                                           
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP (Johnson, 1976 and Farrugia, 1997)'
_computing_publication_material  
'SHELXL-97 (Sheldrick, 2008) and WINGX (Farrugia, 1999)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0300P)²+2.5000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6603
_refine_ls_number_parameters     355
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0264
_refine_ls_R_factor_gt           0.0234
_refine_ls_wR_factor_ref         0.0596
_refine_ls_wR_factor_gt          0.0579
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.004
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.420104(8) 0.281635(8) 0.566535(6) 0.02543(5) Uani 1 1 d . . .
P2 P 0.01986(6) 0.80143(6) 0.21373(5) 0.02515(15) Uani 1 1 d . . .
F4 F -0.00526(19) 0.71212(16) 0.27226(15) 0.0528(6) Uani 1 1 d . . .
F3 F -0.08228(17) 0.77222(19) 0.14281(14) 0.0517(6) Uani 1 1 d . . .
F6 F 0.08312(18) 0.71814(17) 0.17649(16) 0.0524(6) Uani 1 1 d . . .
F5 F -0.04406(17) 0.88601(16) 0.25048(14) 0.0487(5) Uani 1 1 d . . .
F2 F 0.04542(19) 0.8922(2) 0.15541(16) 0.0633(7) Uani 1 1 d . . .
F1 F 0.12021(17) 0.8309(2) 0.28403(16) 0.0650(7) Uani 1 1 d . . .
P1 P 0.31265(5) 0.41015(6) 0.49680(4) 0.02377(15) Uani 1 1 d . . .
N5 N 0.16233(17) 0.47027(17) 0.35700(13) 0.0217(5) Uani 1 1 d . . .
N2 N 0.58136(17) 0.11496(18) 0.59880(14) 0.0240(5) Uani 1 1 d . . .
N1 N 0.52259(17) 0.14778(18) 0.71156(14) 0.0229(5) Uani 1 1 d . . .
N4 N 0.28671(17) 0.60835(18) 0.42612(15) 0.0246(5) Uani 1 1 d . . .
C16 C 0.2259(2) 0.3779(2) 0.39353(16) 0.0220(5) Uani 1 1 d . . .
H16A H 0.2658 0.3557 0.3565 0.026 Uiso 1 1 calc R . .
H16B H 0.1820 0.3192 0.3990 0.026 Uiso 1 1 calc R . .
C19 C 0.2268(2) 0.5615(2) 0.34728(17) 0.0243(6) Uani 1 1 d . . .
H19A H 0.2733 0.5383 0.3160 0.029 Uiso 1 1 calc R . .
H19B H 0.1832 0.6162 0.3148 0.029 Uiso 1 1 calc R . .
N3 N 0.15474(19) 0.5483(2) 0.49178(15) 0.0290(5) Uani 1 1 d . . .
C2 C 0.4548(2) 0.1998(2) 0.75104(17) 0.0222(5) Uani 1 1 d . . .
C15 C 0.3673(2) 0.5354(2) 0.47114(17) 0.0256(6) Uani 1 1 d . . .
H15A H 0.4070 0.5691 0.5221 0.031 Uiso 1 1 calc R . .
H15B H 0.4129 0.5201 0.4370 0.031 Uiso 1 1 calc R . .
C1 C 0.5200(2) 0.1681(2) 0.63220(17) 0.0228(5) Uani 1 1 d . . .
C18 C 0.0979(2) 0.5038(2) 0.41092(18) 0.0262(6) Uani 1 1 d . . .
H18A H 0.0494 0.5567 0.3813 0.031 Uiso 1 1 calc R . .
H18B H 0.0591 0.4429 0.4207 0.031 Uiso 1 1 calc R . .
C17 C 0.2177(2) 0.6370(2) 0.47606(19) 0.0300(6) Uani 1 1 d . . .
H17A H 0.1727 0.6934 0.4477 0.036 Uiso 1 1 calc R . .
H17B H 0.2580 0.6649 0.5292 0.036 Uiso 1 1 calc R . .
C7 C 0.3708(2) 0.1439(2) 0.76182(18) 0.0281(6) Uani 1 1 d . . .
C10 C 0.6549(2) 0.0332(2) 0.64241(17) 0.0263(6) Uani 1 1 d . . .
H10A H 0.6207 -0.0224 0.6648 0.032 Uiso 1 1 calc R . .
H10B H 0.7079 0.0643 0.6876 0.032 Uiso 1 1 calc R . .
C13 C 0.5910(2) 0.1345(3) 0.51401(18) 0.0316(6) Uani 1 1 d . . .
H13A H 0.5935 0.2101 0.5031 0.038 Uiso 1 1 calc R . .
H13B H 0.5345 0.1031 0.4721 0.038 Uiso 1 1 calc R . .
C3 C 0.4742(3) 0.3059(2) 0.77707(19) 0.0319(7) Uani 1 1 d . . .
C14 C 0.2179(2) 0.4667(3) 0.54539(18) 0.0313(6) Uani 1 1 d . . .
H14A H 0.1741 0.4104 0.5555 0.038 Uiso 1 1 calc R . .
H14B H 0.2531 0.4981 0.5987 0.038 Uiso 1 1 calc R . .
C6 C 0.3040(3) 0.1957(3) 0.7978(2) 0.0402(8) Uani 1 1 d . . .
H6A H 0.2477 0.1596 0.8054 0.048 Uiso 1 1 calc R . .
C11 C 0.6993(3) -0.0103(3) 0.5748(2) 0.0384(7) Uani 1 1 d . . .
H11A H 0.7700 -0.0314 0.5979 0.046 Uiso 1 1 calc R . .
H11B H 0.6604 -0.0711 0.5472 0.046 Uiso 1 1 calc R . .
C8 C 0.5661(3) 0.3651(3) 0.7670(2) 0.0410(8) Uani 1 1 d . . .
H8A H 0.6263 0.3229 0.7890 0.062 Uiso 1 1 calc R . .
H8B H 0.5728 0.4312 0.7968 0.062 Uiso 1 1 calc R . .
H8C H 0.5579 0.3789 0.7089 0.062 Uiso 1 1 calc R . .
C4 C 0.4040(3) 0.3546(3) 0.8120(2) 0.0471(9) Uani 1 1 d . . .
H4A H 0.4139 0.4252 0.8288 0.057 Uiso 1 1 calc R . .
C9 C 0.3516(3) 0.0305(3) 0.7340(2) 0.0397(8) Uani 1 1 d . . .
H9A H 0.3481 0.0252 0.6759 0.060 Uiso 1 1 calc R . .
H9B H 0.2882 0.0069 0.7425 0.060 Uiso 1 1 calc R . .
H9C H 0.4063 -0.0134 0.7658 0.060 Uiso 1 1 calc R . .
C12 C 0.6909(3) 0.0812(3) 0.5152(2) 0.0449(8) Uani 1 1 d . . .
H12A H 0.6898 0.0560 0.4600 0.054 Uiso 1 1 calc R . .
H12B H 0.7477 0.1300 0.5346 0.054 Uiso 1 1 calc R . .
C5 C 0.3204(3) 0.3012(3) 0.8225(3) 0.0502(10) Uani 1 1 d . . .
H5A H 0.2747 0.3356 0.8462 0.060 Uiso 1 1 calc R . .
Cl2 Cl -0.19478(18) 0.84668(18) 0.45114(15) 0.0588(5) Uani 0.60 1 d PD A 1
Cl1 Cl -0.00534(15) 0.7400(2) 0.48398(15) 0.0713(6) Uani 0.60 1 d PD A 1
C1S C -0.0912(6) 0.8182(7) 0.4147(5) 0.074(3) Uani 0.60 1 d PD A 1
H1SA H -0.1142 0.7818 0.3615 0.088 Uiso 0.60 1 calc PR A 1
H1SB H -0.0583 0.8839 0.4059 0.088 Uiso 0.60 1 calc PR A 1
Cl1' Cl 0.03955(18) 0.9336(2) 0.46735(14) 0.0513(6) Uani 0.40 1 d PD . 2
Cl2' Cl -0.1497(2) 0.8293(3) 0.4647(3) 0.0608(9) Uani 0.40 1 d PD B 2
C1S' C -0.0270(5) 0.8169(5) 0.4567(5) 0.0319(17) Uani 0.40 1 d PD B 2
H1SC H 0.0100 0.7677 0.4991 0.038 Uiso 0.40 1 calc PR B 2
H1SD H -0.0296 0.7864 0.4027 0.038 Uiso 0.40 1 calc PR B 2
H1A H 0.5668 0.1035 0.7381 0.038(10) Uiso 1 1 calc R . .


_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 2.065(3) . ?
Au1 P1 2.2725(7) . ?
P2 F1 1.579(2) . ?
P2 F4 1.586(2) . ?
P2 F6 1.588(2) . ?
P2 F2 1.599(2) . ?
P2 F5 1.600(2) . ?
P2 F3 1.599(2) . ?
P1 C15 1.842(3) . ?
P1 C16 1.844(3) . ?
P1 C14 1.846(3) . ?
N5 C16 1.476(3) . ?
N5 C19 1.481(3) . ?
N5 C18 1.481(4) . ?
N2 C1 1.308(4) . ?
N2 C13 1.477(4) . ?
N2 C10 1.479(3) . ?
N1 C1 1.339(3) . ?
N1 C2 1.431(4) . ?
N4 C17 1.463(4) . ?
N4 C19 1.466(3) . ?
N4 C15 1.468(3) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
N3 C18 1.468(4) . ?
N3 C14 1.471(4) . ?
N3 C17 1.474(4) . ?
C2 C7 1.397(4) . ?
C2 C3 1.406(4) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C7 C6 1.382(5) . ?
C7 C9 1.500(4) . ?
C10 C11 1.521(4) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C13 C12 1.511(5) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C3 C4 1.392(5) . ?
C3 C8 1.505(5) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C6 C5 1.389(5) . ?
C6 H6A 0.9300 . ?
C11 C12 1.505(5) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C4 C5 1.374(6) . ?
C4 H4A 0.9300 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C5 H5A 0.9300 . ?
Cl2 C1S 1.720(6) . ?
Cl1 C1S 1.710(6) . ?
C1S H1SA 0.9700 . ?
C1S H1SB 0.9700 . ?
Cl1' C1S' 1.707(6) . ?
Cl1' Cl1' 2.406(6) 3_576 ?
Cl2' C1S' 1.719(6) . ?
C1S' H1SC 0.9700 . ?
C1S' H1SD 0.9700 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Au1 P1 178.38(8) . . ?
F1 P2 F4 89.94(14) . . ?
F1 P2 F6 89.66(14) . . ?
F4 P2 F6 90.36(13) . . ?
F1 P2 F2 89.70(15) . . ?
F4 P2 F2 179.49(15) . . ?
F6 P2 F2 90.00(13) . . ?
F1 P2 F5 90.56(14) . . ?
F4 P2 F5 90.12(13) . . ?
F6 P2 F5 179.47(13) . . ?
F2 P2 F5 89.52(12) . . ?
F1 P2 F3 179.54(15) . . ?
F4 P2 F3 90.07(14) . . ?
F6 P2 F3 90.80(13) . . ?
F2 P2 F3 90.28(14) . . ?
F5 P2 F3 88.98(12) . . ?
C15 P1 C16 99.58(12) . . ?
C15 P1 C14 98.56(14) . . ?
C16 P1 C14 98.64(13) . . ?
C15 P1 Au1 118.86(9) . . ?
C16 P1 Au1 118.48(9) . . ?
C14 P1 Au1 118.61(10) . . ?
C16 N5 C19 110.9(2) . . ?
C16 N5 C18 110.6(2) . . ?
C19 N5 C18 108.3(2) . . ?
C1 N2 C13 124.0(2) . . ?
C1 N2 C10 124.8(2) . . ?
C13 N2 C10 111.1(2) . . ?
C1 N1 C2 121.6(2) . . ?
C17 N4 C19 108.9(2) . . ?
C17 N4 C15 111.7(2) . . ?
C19 N4 C15 111.1(2) . . ?
N5 C16 P1 111.30(17) . . ?
N5 C16 H16A 109.4 . . ?
P1 C16 H16A 109.4 . . ?
N5 C16 H16B 109.4 . . ?
P1 C16 H16B 109.4 . . ?
H16A C16 H16B 108.0 . . ?
N4 C19 N5 114.4(2) . . ?
N4 C19 H19A 108.7 . . ?
N5 C19 H19A 108.7 . . ?
N4 C19 H19B 108.7 . . ?
N5 C19 H19B 108.7 . . ?
H19A C19 H19B 107.6 . . ?
C18 N3 C14 111.3(2) . . ?
C18 N3 C17 108.0(2) . . ?
C14 N3 C17 111.4(2) . . ?
C7 C2 C3 121.9(3) . . ?
C7 C2 N1 119.0(2) . . ?
C3 C2 N1 119.1(3) . . ?
N4 C15 P1 111.13(19) . . ?
N4 C15 H15A 109.4 . . ?
P1 C15 H15A 109.4 . . ?
N4 C15 H15B 109.4 . . ?
P1 C15 H15B 109.4 . . ?
H15A C15 H15B 108.0 . . ?
N2 C1 N1 118.6(2) . . ?
N2 C1 Au1 122.12(19) . . ?
N1 C1 Au1 119.3(2) . . ?
N3 C18 N5 114.6(2) . . ?
N3 C18 H18A 108.6 . . ?
N5 C18 H18A 108.6 . . ?
N3 C18 H18B 108.6 . . ?
N5 C18 H18B 108.6 . . ?
H18A C18 H18B 107.6 . . ?
N4 C17 N3 114.3(2) . . ?
N4 C17 H17A 108.7 . . ?
N3 C17 H17A 108.7 . . ?
N4 C17 H17B 108.7 . . ?
N3 C17 H17B 108.7 . . ?
H17A C17 H17B 107.6 . . ?
C6 C7 C2 118.6(3) . . ?
C6 C7 C9 120.2(3) . . ?
C2 C7 C9 121.1(3) . . ?
N2 C10 C11 103.8(2) . . ?
N2 C10 H10A 111.0 . . ?
C11 C10 H10A 111.0 . . ?
N2 C10 H10B 111.0 . . ?
C11 C10 H10B 111.0 . . ?
H10A C10 H10B 109.0 . . ?
N2 C13 C12 103.4(2) . . ?
N2 C13 H13A 111.1 . . ?
C12 C13 H13A 111.1 . . ?
N2 C13 H13B 111.1 . . ?
C12 C13 H13B 111.1 . . ?
H13A C13 H13B 109.0 . . ?
C4 C3 C2 117.1(3) . . ?
C4 C3 C8 121.2(3) . . ?
C2 C3 C8 121.7(3) . . ?
N3 C14 P1 111.3(2) . . ?
N3 C14 H14A 109.4 . . ?
P1 C14 H14A 109.4 . . ?
N3 C14 H14B 109.4 . . ?
P1 C14 H14B 109.4 . . ?
H14A C14 H14B 108.0 . . ?
C7 C6 C5 120.6(3) . . ?
C7 C6 H6A 119.7 . . ?
C5 C6 H6A 119.7 . . ?
C12 C11 C10 104.0(3) . . ?
C12 C11 H11A 111.0 . . ?
C10 C11 H11A 111.0 . . ?
C12 C11 H11B 111.0 . . ?
C10 C11 H11B 111.0 . . ?
H11A C11 H11B 109.0 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C5 C4 C3 121.8(3) . . ?
C5 C4 H4A 119.1 . . ?
C3 C4 H4A 119.1 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C12 C13 104.6(3) . . ?
C11 C12 H12A 110.8 . . ?
C13 C12 H12A 110.8 . . ?
C11 C12 H12B 110.8 . . ?
C13 C12 H12B 110.8 . . ?
H12A C12 H12B 108.9 . . ?
C4 C5 C6 119.9(3) . . ?
C4 C5 H5A 120.0 . . ?
C6 C5 H5A 120.0 . . ?
Cl1 C1S Cl2 110.8(4) . . ?
Cl1 C1S H1SA 109.5 . . ?
Cl2 C1S H1SA 109.5 . . ?
Cl1 C1S H1SB 109.5 . . ?
Cl2 C1S H1SB 109.5 . . ?
H1SA C1S H1SB 108.1 . . ?
C1S' Cl1' Cl1' 110.7(3) . 3_576 ?
Cl1' C1S' Cl2' 114.4(4) . . ?
Cl1' C1S' H1SC 108.7 . . ?
Cl2' C1S' H1SC 108.7 . . ?
Cl1' C1S' H1SD 108.7 . . ?
Cl2' C1S' H1SD 108.7 . . ?
H1SC C1S' H1SD 107.6 . . ?
Cl1' C1S' H1A 108.5 . . ?
Cl2' C1S' H1A 126.5 . . ?
H1SC C1S' H1A 24.3 . . ?
H1SD C1S' H1A 85.2 . . ?

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
C1 Au1 P1 C15 46(3) . . . . ?
C1 Au1 P1 C16 167(3) . . . . ?
C1 Au1 P1 C14 -74(3) . . . . ?
C19 N5 C16 P1 59.3(3) . . . . ?
C18 N5 C16 P1 -60.9(2) . . . . ?
C15 P1 C16 N5 -49.2(2) . . . . ?
C14 P1 C16 N5 51.1(2) . . . . ?
Au1 P1 C16 N5 -179.58(15) . . . . ?
C17 N4 C19 N5 -54.6(3) . . . . ?
C15 N4 C19 N5 68.8(3) . . . . ?
C16 N5 C19 N4 -68.0(3) . . . . ?
C18 N5 C19 N4 53.6(3) . . . . ?
C1 N1 C2 C7 103.2(3) . . . . ?
C1 N1 C2 C3 -76.1(3) . . . . ?
C17 N4 C15 P1 61.1(3) . . . . ?
C19 N4 C15 P1 -60.8(3) . . . . ?
C16 P1 C15 N4 49.7(2) . . . . ?
C14 P1 C15 N4 -50.7(2) . . . . ?
Au1 P1 C15 N4 179.85(15) . . . . ?
C13 N2 C1 N1 -175.8(3) . . . . ?
C10 N2 C1 N1 -0.2(4) . . . . ?
C13 N2 C1 Au1 4.1(4) . . . . ?
C10 N2 C1 Au1 179.7(2) . . . . ?
C2 N1 C1 N2 -177.5(2) . . . . ?
C2 N1 C1 Au1 2.6(3) . . . . ?
P1 Au1 C1 N2 -115(3) . . . . ?
P1 Au1 C1 N1 64(3) . . . . ?
C14 N3 C18 N5 -67.4(3) . . . . ?
C17 N3 C18 N5 55.3(3) . . . . ?
C16 N5 C18 N3 67.5(3) . . . . ?
C19 N5 C18 N3 -54.3(3) . . . . ?
C19 N4 C17 N3 55.8(3) . . . . ?
C15 N4 C17 N3 -67.3(3) . . . . ?
C18 N3 C17 N4 -55.9(3) . . . . ?
C14 N3 C17 N4 66.7(3) . . . . ?
C3 C2 C7 C6 1.2(4) . . . . ?
N1 C2 C7 C6 -178.1(3) . . . . ?
C3 C2 C7 C9 -179.7(3) . . . . ?
N1 C2 C7 C9 1.0(4) . . . . ?
C1 N2 C10 C11 175.0(3) . . . . ?
C13 N2 C10 C11 -9.0(3) . . . . ?
C1 N2 C13 C12 162.6(3) . . . . ?
C10 N2 C13 C12 -13.5(3) . . . . ?
C7 C2 C3 C4 -1.9(4) . . . . ?
N1 C2 C3 C4 177.4(3) . . . . ?
C7 C2 C3 C8 178.7(3) . . . . ?
N1 C2 C3 C8 -2.0(4) . . . . ?
C18 N3 C14 P1 60.4(3) . . . . ?
C17 N3 C14 P1 -60.2(3) . . . . ?
C15 P1 C14 N3 50.5(2) . . . . ?
C16 P1 C14 N3 -50.6(2) . . . . ?
Au1 P1 C14 N3 -179.83(16) . . . . ?
C2 C7 C6 C5 0.1(5) . . . . ?
C9 C7 C6 C5 -179.0(3) . . . . ?
N2 C10 C11 C12 27.9(3) . . . . ?
C2 C3 C4 C5 1.3(5) . . . . ?
C8 C3 C4 C5 -179.2(3) . . . . ?
C10 C11 C12 C13 -36.9(4) . . . . ?
N2 C13 C12 C11 30.9(4) . . . . ?
C3 C4 C5 C6 -0.2(6) . . . . ?
C7 C6 C5 C4 -0.6(6) . . . . ?
Cl1' Cl1' C1S' Cl2' 18.1(6) 3_576 . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        28.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.927
_refine_diff_density_min         -0.829
_refine_diff_density_rms         0.091

_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH2Cl2, hexane'
####################################################################### 
# 
# 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_9a
_database_code_depnum_ccdc_archive 'CCDC 1568251'
_audit_update_record             
;
2017-08-10 deposited with the CCDC.
2017-10-23 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT410_9a                  
;
PROBLEM: Short Intra H...H Contact   H11B   ..  H12C    .       1.68 Ang.
RESPONSE: Generated due to disorder of the C12 atom
;
_vrf_PLAT410_9a_2                
;
PROBLEM: Short Intra H...H Contact   H13B   ..  H12C    .       1.69 Ang.
RESPONSE: Generated due to disorder of the C12 atom
;
# Added during the CSD deposition process: Thursday 10 August 2017 03:58 PM
# end Validation Reply Form


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C13 H18 Au Cl N2'
_chemical_formula_sum            'C13 H18 Au Cl N2'
_chemical_formula_weight         434.71

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'


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

_cell_length_a                   7.3404(2)
_cell_length_b                   13.3484(3)
_cell_length_c                   14.7732(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 102.267(2)
_cell_angle_gamma                90.00
_cell_volume                     1414.47(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    140.1(6)
_cell_measurement_reflns_used    7430
_cell_measurement_theta_min      3.2270
_cell_measurement_theta_max      32.7630

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    2.041
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             824
_exptl_absorpt_coefficient_mu    10.570
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1948
_exptl_absorpt_correction_T_max  0.4852
_exptl_absorpt_process_details   
;                                                             
 CrysAlisPro RED, Oxford Diffraction Ltd., Version 1.171.33.66
 Empirical absorption correction using spherical harmonics,   
  implemented in SCALE3 ABSPACK scaling algorithm.            
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      140.1(6)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur 3/Sapphire3 CCD'
_diffrn_measurement_method       'Thin slice ω scans'
_diffrn_detector_area_resol_mean 16.0050
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13835
_diffrn_reflns_av_R_equivalents  0.0270
_diffrn_reflns_av_sigmaI/netI    0.0207
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         3.21
_diffrn_reflns_theta_max         28.00
_reflns_number_total             3419
_reflns_number_gt                3273
_reflns_threshold_expression     I>2sigma(I)

_computing_data_collection       
;                                                                         
CrysAlisPro, Agilent Technologies,                                        
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)                 
(compiled Sep 14 2012,17:21:16)                                           
;
_computing_cell_refinement       
;                                                                         
CrysAlisPro, Agilent Technologies,                                        
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)                 
(compiled Sep 14 2012,17:21:16)                                           
;
_computing_data_reduction        
;                                                                         
CrysAlisPro, Agilent Technologies,                                        
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)                 
(compiled Sep 14 2012,17:21:16)                                           
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP (Johnson, 1976 and Farrugia, 1997)'
_computing_publication_material  
'SHELXL-97 (Sheldrick, 2008) and WINGX (Farrugia, 1999)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0300P)²+1.8000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3419
_refine_ls_number_parameters     170
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0218
_refine_ls_R_factor_gt           0.0205
_refine_ls_wR_factor_ref         0.0544
_refine_ls_wR_factor_gt          0.0536
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.388883(15) 0.469285(9) 0.228596(8) 0.02084(5) Uani 1 1 d . . .
Cl1 Cl 0.14784(11) 0.57844(6) 0.22735(6) 0.03125(18) Uani 1 1 d . . .
N1 N 0.6521(4) 0.3098(2) 0.29860(19) 0.0227(5) Uani 1 1 d . . .
H1A H 0.7443 0.2700 0.2989 0.027(10) Uiso 1 1 calc R . .
C1 C 0.6034(4) 0.3767(2) 0.2299(2) 0.0219(6) Uani 1 1 d . . .
N2 N 0.7021(4) 0.3785(2) 0.16472(19) 0.0245(6) Uani 1 1 d . B .
C2 C 0.5505(4) 0.3045(2) 0.3718(2) 0.0211(6) Uani 1 1 d . . .
C3 C 0.3869(4) 0.2480(2) 0.3574(2) 0.0215(6) Uani 1 1 d . . .
C4 C 0.2866(5) 0.2455(3) 0.4286(2) 0.0295(7) Uani 1 1 d . . .
H4A H 0.1770 0.2085 0.4208 0.035 Uiso 1 1 calc R . .
C5 C 0.3495(5) 0.2973(3) 0.5096(2) 0.0353(8) Uani 1 1 d . . .
H5A H 0.2817 0.2955 0.5561 0.042 Uiso 1 1 calc R . .
C6 C 0.5137(6) 0.3525(3) 0.5226(2) 0.0353(8) Uani 1 1 d . . .
H6A H 0.5551 0.3867 0.5780 0.042 Uiso 1 1 calc R . .
C7 C 0.6170(5) 0.3571(3) 0.4537(2) 0.0271(7) Uani 1 1 d . . .
C8 C 0.3153(4) 0.1943(3) 0.2675(2) 0.0271(7) Uani 1 1 d . . .
H8A H 0.4127 0.1533 0.2529 0.041 Uiso 1 1 calc R . .
H8B H 0.2761 0.2424 0.2190 0.041 Uiso 1 1 calc R . .
H8C H 0.2115 0.1527 0.2731 0.041 Uiso 1 1 calc R . .
C9 C 0.7918(5) 0.4190(3) 0.4665(3) 0.0406(9) Uani 1 1 d . . .
H9A H 0.8206 0.4457 0.5282 0.061 Uiso 1 1 calc R . .
H9B H 0.7731 0.4731 0.4227 0.061 Uiso 1 1 calc R . .
H9C H 0.8931 0.3778 0.4568 0.061 Uiso 1 1 calc R . .
C10 C 0.8703(5) 0.3192(3) 0.1641(2) 0.0273(7) Uani 1 1 d . B .
H10A H 0.8433 0.2481 0.1640 0.033 Uiso 1 1 calc R . .
H10B H 0.9679 0.3347 0.2176 0.033 Uiso 1 1 calc R . .
C11 C 0.9280(5) 0.3501(3) 0.0743(2) 0.0278(7) Uani 1 1 d . . .
H11B H 0.8921 0.2993 0.0270 0.070(17) Uiso 1 1 calc R A 1
H11A H 1.0618 0.3599 0.0850 0.054(14) Uiso 1 1 calc R A 1
C12 C 0.8225(8) 0.4508(5) 0.0442(4) 0.0267(11) Uani 0.70 1 d P B 1
H12A H 0.8968 0.5080 0.0704 0.032 Uiso 0.70 1 calc PR B 1
H12B H 0.7918 0.4573 -0.0227 0.032 Uiso 0.70 1 calc PR B 1
C12' C 0.7724(18) 0.4052(11) 0.0225(8) 0.024(2) Uani 0.30 1 d P B 2
H12C H 0.7005 0.3621 -0.0248 0.029 Uiso 0.30 1 calc PR B 2
H12D H 0.8179 0.4612 -0.0082 0.029 Uiso 0.30 1 calc PR B 2
C13 C 0.6528(6) 0.4423(4) 0.0817(3) 0.0409(10) Uani 1 1 d . . .
H13B H 0.5527 0.4121 0.0365 0.09(2) Uiso 1 1 calc R B 1
H13A H 0.6126 0.5079 0.0980 0.066(17) Uiso 1 1 calc R B 1


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 C1 1.999(3) . ?
Au1 Cl1 2.2891(8) . ?
N1 C1 1.342(4) . ?
N1 C2 1.439(4) . ?
N1 H1A 0.8600 . ?
C1 N2 1.323(4) . ?
N2 C10 1.468(4) . ?
N2 C13 1.473(4) . ?
C2 C7 1.395(5) . ?
C2 C3 1.397(4) . ?
C3 C4 1.406(4) . ?
C3 C8 1.503(4) . ?
C4 C5 1.374(5) . ?
C4 H4A 0.9300 . ?
C5 C6 1.391(6) . ?
C5 H5A 0.9300 . ?
C6 C7 1.394(5) . ?
C6 H6A 0.9300 . ?
C7 C9 1.504(5) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C11 1.532(5) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12' 1.435(12) . ?
C11 C12 1.568(7) . ?
C11 H11B 0.9700 . ?
C11 H11A 0.9700 . ?
C12 C13 1.471(6) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12' C13 1.452(12) . ?
C12' H12C 0.9700 . ?
C12' H12D 0.9700 . ?
C13 H13B 0.9700 . ?
C13 H13A 0.9700 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Au1 Cl1 178.68(9) . . ?
C1 N1 C2 120.2(3) . . ?
C1 N1 H1A 119.9 . . ?
C2 N1 H1A 119.9 . . ?
N2 C1 N1 117.6(3) . . ?
N2 C1 Au1 122.3(2) . . ?
N1 C1 Au1 120.1(2) . . ?
C1 N2 C10 125.9(3) . . ?
C1 N2 C13 122.7(3) . . ?
C10 N2 C13 111.4(3) . . ?
C7 C2 C3 122.3(3) . . ?
C7 C2 N1 119.1(3) . . ?
C3 C2 N1 118.6(3) . . ?
C2 C3 C4 118.0(3) . . ?
C2 C3 C8 121.3(3) . . ?
C4 C3 C8 120.7(3) . . ?
C5 C4 C3 120.5(3) . . ?
C5 C4 H4A 119.8 . . ?
C3 C4 H4A 119.8 . . ?
C4 C5 C6 120.5(3) . . ?
C4 C5 H5A 119.7 . . ?
C6 C5 H5A 119.7 . . ?
C5 C6 C7 120.8(3) . . ?
C5 C6 H6A 119.6 . . ?
C7 C6 H6A 119.6 . . ?
C6 C7 C2 117.9(3) . . ?
C6 C7 C9 120.9(3) . . ?
C2 C7 C9 121.1(3) . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N2 C10 C11 104.4(3) . . ?
N2 C10 H10A 110.9 . . ?
C11 C10 H10A 110.9 . . ?
N2 C10 H10B 110.9 . . ?
C11 C10 H10B 110.9 . . ?
H10A C10 H10B 108.9 . . ?
C12' C11 C10 105.3(5) . . ?
C12' C11 C12 28.4(5) . . ?
C10 C11 C12 105.4(3) . . ?
C12' C11 H11B 84.9 . . ?
C10 C11 H11B 110.7 . . ?
C12 C11 H11B 110.7 . . ?
C12' C11 H11A 132.9 . . ?
C10 C11 H11A 110.7 . . ?
C12 C11 H11A 110.7 . . ?
H11B C11 H11A 108.8 . . ?
C13 C12 C11 103.5(4) . . ?
C13 C12 H12A 111.1 . . ?
C11 C12 H12A 111.1 . . ?
C13 C12 H12B 111.1 . . ?
C11 C12 H12B 111.1 . . ?
H12A C12 H12B 109.0 . . ?
C11 C12' C13 111.6(8) . . ?
C11 C12' H12C 109.3 . . ?
C13 C12' H12C 109.3 . . ?
C11 C12' H12D 109.3 . . ?
C13 C12' H12D 109.3 . . ?
H12C C12' H12D 108.0 . . ?
C12' C13 C12 29.6(5) . . ?
C12' C13 N2 103.4(5) . . ?
C12 C13 N2 106.3(3) . . ?
C12' C13 H13B 84.8 . . ?
C12 C13 H13B 110.5 . . ?
N2 C13 H13B 110.5 . . ?
C12' C13 H13A 135.4 . . ?
C12 C13 H13A 110.5 . . ?
N2 C13 H13A 110.5 . . ?
H13B C13 H13A 108.7 . . ?

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
C2 N1 C1 N2 179.7(3) . . . . ?
C2 N1 C1 Au1 -0.1(4) . . . . ?
Cl1 Au1 C1 N2 -62(4) . . . . ?
Cl1 Au1 C1 N1 118(4) . . . . ?
N1 C1 N2 C10 -5.0(5) . . . . ?
Au1 C1 N2 C10 174.8(3) . . . . ?
N1 C1 N2 C13 174.6(4) . . . . ?
Au1 C1 N2 C13 -5.6(5) . . . . ?
C1 N1 C2 C7 -95.0(4) . . . . ?
C1 N1 C2 C3 84.0(4) . . . . ?
C7 C2 C3 C4 0.5(5) . . . . ?
N1 C2 C3 C4 -178.4(3) . . . . ?
C7 C2 C3 C8 178.3(3) . . . . ?
N1 C2 C3 C8 -0.6(5) . . . . ?
C2 C3 C4 C5 -0.1(5) . . . . ?
C8 C3 C4 C5 -177.9(3) . . . . ?
C3 C4 C5 C6 -0.4(6) . . . . ?
C4 C5 C6 C7 0.5(6) . . . . ?
C5 C6 C7 C2 -0.1(5) . . . . ?
C5 C6 C7 C9 178.2(4) . . . . ?
C3 C2 C7 C6 -0.4(5) . . . . ?
N1 C2 C7 C6 178.6(3) . . . . ?
C3 C2 C7 C9 -178.8(3) . . . . ?
N1 C2 C7 C9 0.2(5) . . . . ?
C1 N2 C10 C11 -179.8(3) . . . . ?
C13 N2 C10 C11 0.5(4) . . . . ?
N2 C10 C11 C12' -12.1(7) . . . . ?
N2 C10 C11 C12 17.3(4) . . . . ?
C12' C11 C12 C13 65.0(11) . . . . ?
C10 C11 C12 C13 -28.9(5) . . . . ?
C10 C11 C12' C13 20.3(11) . . . . ?
C12 C11 C12' C13 -73.8(12) . . . . ?
C11 C12' C13 C12 79.9(12) . . . . ?
C11 C12' C13 N2 -19.6(11) . . . . ?
C11 C12 C13 C12' -59.5(10) . . . . ?
C11 C12 C13 N2 29.0(5) . . . . ?
C1 N2 C13 C12' -168.6(7) . . . . ?
C10 N2 C13 C12' 11.1(8) . . . . ?
C1 N2 C13 C12 160.9(4) . . . . ?
C10 N2 C13 C12 -19.4(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        28.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.903
_refine_diff_density_min         -1.138
_refine_diff_density_rms         0.121

_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH2Cl2, hexane'
####################################################################### 
# 
# 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_13a
_database_code_depnum_ccdc_archive 'CCDC 1568249'
_audit_update_record             
;
2017-08-10 deposited with the CCDC.
2017-10-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C36 H48 Au N2, F6 Sb'
_chemical_formula_sum            'C36 H48 Au F6 N2 Sb'
_chemical_formula_weight         941.48

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'
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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'


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

_cell_length_a                   9.9471(3)
_cell_length_b                   26.0651(8)
_cell_length_c                   13.5998(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 95.681(3)
_cell_angle_gamma                90.00
_cell_volume                     3508.7(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    140.00(10)
_cell_measurement_reflns_used    11571
_cell_measurement_theta_min      3.3750
_cell_measurement_theta_max      31.3340

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    1.782
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1848
_exptl_absorpt_coefficient_mu    5.006
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.3451
_exptl_absorpt_correction_T_max  0.6615
_exptl_absorpt_process_details   
;                                                                 
CrysAlisPro 1.171.39.12b (Rigaku Oxford Diffraction, 2015)        
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model              
Empirical absorption correction using spherical harmonics,        
 implemented in SCALE3 ABSPACK scaling algorithm.                 
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      140.00(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'micro-focus sealed X-ray tube'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 99.991
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            24982
_diffrn_reflns_av_R_equivalents  0.0364
_diffrn_reflns_av_sigmaI/netI    0.0336
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.37
_diffrn_reflns_theta_max         26.37
_reflns_number_total             7155
_reflns_number_gt                6372
_reflns_threshold_expression     'I > 2σ(I)'

_computing_data_collection       'CrysAlisPro 1.171.39.12b (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.12b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.12b (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP (Johnson, 1976 and Farrugia, 1997)'
_computing_publication_material  
'SHELXL-97 (Sheldrick, 2008) and WINGX (Farrugia, 1999)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0081P)²+2.2687P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7155
_refine_ls_number_parameters     423
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0257
_refine_ls_R_factor_gt           0.0211
_refine_ls_wR_factor_ref         0.0441
_refine_ls_wR_factor_gt          0.0431
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.587710(11) 0.381974(4) 0.704628(8) 0.01691(4) Uani 1 1 d . . .
Sb1 Sb 0.04581(2) 0.170067(7) 0.669240(14) 0.02148(5) Uani 1 1 d . . .
F4 F 0.0020(2) 0.20533(8) 0.78102(14) 0.0437(5) Uani 1 1 d . . .
N1 N 0.8089(2) 0.37768(8) 0.58114(15) 0.0110(4) Uani 1 1 d . . .
F3 F 0.1516(3) 0.12504(8) 0.75198(17) 0.0544(7) Uani 1 1 d . . .
F5 F -0.1036(3) 0.12768(10) 0.67807(17) 0.0613(7) Uani 1 1 d . . .
F6 F 0.1978(2) 0.21124(9) 0.66281(17) 0.0509(6) Uani 1 1 d . . .
F2 F 0.0889(2) 0.13281(9) 0.55930(15) 0.0496(6) Uani 1 1 d . . .
C1 C 0.6920(3) 0.35786(9) 0.59192(19) 0.0130(5) Uani 1 1 d . . .
C28 C 0.4882(3) 0.41206(12) 0.8089(2) 0.0238(6) Uani 1 1 d . . .
F1 F -0.0583(3) 0.21549(9) 0.58870(17) 0.0566(7) Uani 1 1 d . . .
N2 N 0.4328(2) 0.43416(10) 0.86631(17) 0.0224(5) Uani 1 1 d . . .
C22 C 0.4763(3) 0.27129(10) 0.5993(2) 0.0168(6) Uani 1 1 d . . .
H22A H 0.4509 0.2376 0.6213 0.020 Uiso 1 1 calc R . .
H22B H 0.4922 0.2932 0.6569 0.020 Uiso 1 1 calc R . .
C5 C 0.8725(3) 0.41687(10) 0.64745(18) 0.0130(5) Uani 1 1 d . . .
C27 C 1.0212(3) 0.34435(11) 0.5156(2) 0.0185(6) Uani 1 1 d . . .
H27A H 1.0703 0.3721 0.5488 0.028 Uiso 1 1 calc R . .
H27B H 1.0603 0.3364 0.4557 0.028 Uiso 1 1 calc R . .
H27C H 1.0258 0.3147 0.5577 0.028 Uiso 1 1 calc R . .
C10 C 0.8398(3) 0.46857(10) 0.63120(19) 0.0145(5) Uani 1 1 d . . .
C4 C 0.8745(3) 0.35995(10) 0.49120(19) 0.0143(5) Uani 1 1 d . . .
C26 C 0.8660(3) 0.40318(11) 0.4151(2) 0.0203(6) Uani 1 1 d . . .
H26A H 0.9177 0.4320 0.4414 0.030 Uiso 1 1 calc R . .
H26B H 0.7734 0.4132 0.4001 0.030 Uiso 1 1 calc R . .
H26C H 0.9015 0.3915 0.3559 0.030 Uiso 1 1 calc R . .
C6 C 0.9651(3) 0.40047(10) 0.72624(19) 0.0149(5) Uani 1 1 d . . .
C3 C 0.7837(3) 0.31414(10) 0.4593(2) 0.0152(5) Uani 1 1 d . . .
H3A H 0.8285 0.2823 0.4796 0.018 Uiso 1 1 calc R . .
H3B H 0.7641 0.3138 0.3880 0.018 Uiso 1 1 calc R . .
C23 C 0.4023(3) 0.34624(10) 0.4917(2) 0.0173(6) Uani 1 1 d . . .
H23A H 0.3294 0.3601 0.4468 0.021 Uiso 1 1 calc R . .
H23B H 0.4183 0.3696 0.5471 0.021 Uiso 1 1 calc R . .
C11 C 0.7269(3) 0.48843(10) 0.5567(2) 0.0165(6) Uani 1 1 d . . .
H11A H 0.6864 0.4592 0.5194 0.020 Uiso 1 1 calc R . .
C17 C 0.6054(3) 0.26725(10) 0.54733(19) 0.0147(5) Uani 1 1 d . . .
H17A H 0.6778 0.2528 0.5932 0.018 Uiso 1 1 calc R . .
C2 C 0.6511(3) 0.31991(9) 0.50945(18) 0.0124(5) Uani 1 1 d . . .
C21 C 0.3616(3) 0.29349(10) 0.5287(2) 0.0176(6) Uani 1 1 d . . .
H21A H 0.2802 0.2969 0.5634 0.021 Uiso 1 1 calc R . .
C12 C 0.6177(3) 0.51397(11) 0.6124(2) 0.0227(6) Uani 1 1 d . . .
H12A H 0.5444 0.5249 0.5660 0.034 Uiso 1 1 calc R . .
H12B H 0.6556 0.5431 0.6483 0.034 Uiso 1 1 calc R . .
H12C H 0.5850 0.4898 0.6577 0.034 Uiso 1 1 calc R . .
C18 C 0.5774(3) 0.23113(11) 0.4580(2) 0.0210(6) Uani 1 1 d . . .
H18A H 0.6580 0.2280 0.4237 0.025 Uiso 1 1 calc R . .
H18B H 0.5540 0.1973 0.4805 0.025 Uiso 1 1 calc R . .
C15 C 0.9121(4) 0.33132(13) 0.8429(2) 0.0360(8) Uani 1 1 d . . .
H15A H 0.8172 0.3371 0.8266 0.054 Uiso 1 1 calc R . .
H15B H 0.9443 0.3526 0.8978 0.054 Uiso 1 1 calc R . .
H15C H 0.9271 0.2959 0.8601 0.054 Uiso 1 1 calc R . .
C25 C 0.5304(3) 0.34167(10) 0.43852(19) 0.0147(5) Uani 1 1 d . . .
H25A H 0.5546 0.3755 0.4143 0.018 Uiso 1 1 calc R . .
C14 C 0.9883(3) 0.34457(11) 0.7537(2) 0.0213(6) Uani 1 1 d . . .
H14A H 0.9513 0.3235 0.6978 0.026 Uiso 1 1 calc R . .
C34 C 0.3480(3) 0.44329(11) 1.0245(2) 0.0204(6) Uani 1 1 d . . .
C31 C 0.2635(3) 0.54273(12) 0.9690(2) 0.0244(6) Uani 1 1 d . . .
H31A H 0.2352 0.5759 0.9521 0.029 Uiso 1 1 calc R . .
C32 C 0.2416(3) 0.52310(12) 1.0604(2) 0.0260(7) Uani 1 1 d . . .
H32A H 0.1986 0.5432 1.1042 0.031 Uiso 1 1 calc R . .
C36 C 0.3958(4) 0.39027(11) 1.0520(3) 0.0309(7) Uani 1 1 d . . .
H36A H 0.3737 0.3824 1.1175 0.046 Uiso 1 1 calc R . .
H36B H 0.4919 0.3884 1.0501 0.046 Uiso 1 1 calc R . .
H36C H 0.3524 0.3660 1.0061 0.046 Uiso 1 1 calc R . .
C33 C 0.2827(3) 0.47383(12) 1.0879(2) 0.0235(6) Uani 1 1 d . . .
H33A H 0.2662 0.4612 1.1495 0.028 Uiso 1 1 calc R . .
C8 C 1.0049(3) 0.48989(11) 0.7679(2) 0.0206(6) Uani 1 1 d . . .
H8A H 1.0521 0.5146 0.8068 0.025 Uiso 1 1 calc R . .
C29 C 0.3676(3) 0.46427(11) 0.9327(2) 0.0200(6) Uani 1 1 d . . .
C9 C 0.9099(3) 0.50465(10) 0.6926(2) 0.0191(6) Uani 1 1 d . . .
H9A H 0.8921 0.5394 0.6823 0.023 Uiso 1 1 calc R . .
C20 C 0.3328(3) 0.25732(11) 0.4409(2) 0.0232(6) Uani 1 1 d . . .
H20A H 0.2592 0.2707 0.3962 0.028 Uiso 1 1 calc R . .
H20B H 0.3066 0.2239 0.4638 0.028 Uiso 1 1 calc R . .
C13 C 0.7755(3) 0.52706(11) 0.4839(2) 0.0245(6) Uani 1 1 d . . .
H13A H 0.8458 0.5119 0.4500 0.037 Uiso 1 1 calc R . .
H13B H 0.8098 0.5570 0.5190 0.037 Uiso 1 1 calc R . .
H13C H 0.7015 0.5366 0.4367 0.037 Uiso 1 1 calc R . .
C7 C 1.0301(3) 0.43840(11) 0.7856(2) 0.0209(6) Uani 1 1 d . . .
H7A H 1.0917 0.4288 0.8383 0.025 Uiso 1 1 calc R . .
C19 C 0.4606(3) 0.25242(11) 0.3871(2) 0.0224(6) Uani 1 1 d . . .
H19A H 0.4430 0.2292 0.3306 0.027 Uiso 1 1 calc R . .
C24 C 0.4992(3) 0.30508(11) 0.3505(2) 0.0208(6) Uani 1 1 d . . .
H24A H 0.4256 0.3188 0.3061 0.025 Uiso 1 1 calc R . .
H24B H 0.5780 0.3021 0.3141 0.025 Uiso 1 1 calc R . .
C30 C 0.3272(3) 0.51344(12) 0.9022(2) 0.0213(6) Uani 1 1 d . . .
C35 C 0.3502(4) 0.53361(15) 0.8014(2) 0.0337(8) Uani 1 1 d . . .
H35A H 0.3153 0.5679 0.7941 0.051 Uiso 1 1 calc R . .
H35B H 0.3047 0.5120 0.7516 0.051 Uiso 1 1 calc R . .
H35C H 0.4453 0.5338 0.7943 0.051 Uiso 1 1 calc R . .
C16 C 1.1383(3) 0.33187(13) 0.7750(3) 0.0339(8) Uani 1 1 d . . .
H16A H 1.1863 0.3443 0.7219 0.051 Uiso 1 1 calc R . .
H16B H 1.1494 0.2954 0.7809 0.051 Uiso 1 1 calc R . .
H16C H 1.1733 0.3480 0.8357 0.051 Uiso 1 1 calc R . .


_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 C28 1.971(3) . ?
Au1 C1 2.034(3) . ?
Sb1 F1 1.857(2) . ?
Sb1 F6 1.863(2) . ?
Sb1 F4 1.864(2) . ?
Sb1 F5 1.865(2) . ?
Sb1 F2 1.868(2) . ?
Sb1 F3 1.8755(19) . ?
N1 C1 1.294(3) . ?
N1 C5 1.464(3) . ?
N1 C4 1.514(3) . ?
C1 C2 1.520(3) . ?
C28 N2 1.153(4) . ?
N2 C29 1.403(4) . ?
C22 C21 1.530(4) . ?
C22 C17 1.530(4) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C5 C10 1.399(4) . ?
C5 C6 1.409(4) . ?
C27 C4 1.520(4) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C10 C9 1.397(4) . ?
C10 C11 1.526(4) . ?
C4 C26 1.527(4) . ?
C4 C3 1.534(4) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C6 C7 1.394(4) . ?
C6 C14 1.516(4) . ?
C3 C2 1.551(4) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C23 C25 1.531(4) . ?
C23 C21 1.533(4) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C11 C13 1.525(4) . ?
C11 C12 1.536(4) . ?
C11 H11A 0.9800 . ?
C17 C18 1.541(4) . ?
C17 C2 1.550(3) . ?
C17 H17A 0.9800 . ?
C2 C25 1.570(3) . ?
C21 C20 1.526(4) . ?
C21 H21A 0.9800 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C18 C19 1.538(4) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C15 C14 1.532(5) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C25 C24 1.538(4) . ?
C25 H25A 0.9800 . ?
C14 C16 1.527(4) . ?
C14 H14A 0.9800 . ?
C34 C33 1.381(4) . ?
C34 C29 1.394(4) . ?
C34 C36 1.497(4) . ?
C31 C32 1.381(4) . ?
C31 C30 1.387(4) . ?
C31 H31A 0.9300 . ?
C32 C33 1.388(4) . ?
C32 H32A 0.9300 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C33 H33A 0.9300 . ?
C8 C9 1.378(4) . ?
C8 C7 1.382(4) . ?
C8 H8A 0.9300 . ?
C29 C30 1.394(4) . ?
C9 H9A 0.9300 . ?
C20 C19 1.534(4) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C7 H7A 0.9300 . ?
C19 C24 1.522(4) . ?
C19 H19A 0.9800 . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C30 C35 1.506(4) . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C28 Au1 C1 174.51(11) . . ?
F1 Sb1 F6 90.73(12) . . ?
F1 Sb1 F4 90.29(10) . . ?
F6 Sb1 F4 90.60(10) . . ?
F1 Sb1 F5 90.83(12) . . ?
F6 Sb1 F5 178.44(12) . . ?
F4 Sb1 F5 89.29(11) . . ?
F1 Sb1 F2 91.04(10) . . ?
F6 Sb1 F2 90.58(11) . . ?
F4 Sb1 F2 178.22(10) . . ?
F5 Sb1 F2 89.49(11) . . ?
F1 Sb1 F3 179.10(11) . . ?
F6 Sb1 F3 88.78(11) . . ?
F4 Sb1 F3 88.96(10) . . ?
F5 Sb1 F3 89.66(12) . . ?
F2 Sb1 F3 89.73(10) . . ?
C1 N1 C5 123.1(2) . . ?
C1 N1 C4 115.7(2) . . ?
C5 N1 C4 121.1(2) . . ?
N1 C1 C2 110.7(2) . . ?
N1 C1 Au1 119.55(18) . . ?
C2 C1 Au1 129.64(18) . . ?
N2 C28 Au1 173.5(3) . . ?
C28 N2 C29 176.0(3) . . ?
C21 C22 C17 110.1(2) . . ?
C21 C22 H22A 109.6 . . ?
C17 C22 H22A 109.6 . . ?
C21 C22 H22B 109.6 . . ?
C17 C22 H22B 109.6 . . ?
H22A C22 H22B 108.1 . . ?
C10 C5 C6 122.5(2) . . ?
C10 C5 N1 119.7(2) . . ?
C6 C5 N1 117.8(2) . . ?
C4 C27 H27A 109.5 . . ?
C4 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C4 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C9 C10 C5 117.4(2) . . ?
C9 C10 C11 117.3(2) . . ?
C5 C10 C11 125.2(2) . . ?
N1 C4 C27 112.7(2) . . ?
N1 C4 C26 108.8(2) . . ?
C27 C4 C26 109.5(2) . . ?
N1 C4 C3 100.2(2) . . ?
C27 C4 C3 112.3(2) . . ?
C26 C4 C3 113.0(2) . . ?
C4 C26 H26A 109.5 . . ?
C4 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C4 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C7 C6 C5 117.1(2) . . ?
C7 C6 C14 119.2(2) . . ?
C5 C6 C14 123.4(2) . . ?
C4 C3 C2 107.6(2) . . ?
C4 C3 H3A 110.2 . . ?
C2 C3 H3A 110.2 . . ?
C4 C3 H3B 110.2 . . ?
C2 C3 H3B 110.2 . . ?
H3A C3 H3B 108.5 . . ?
C25 C23 C21 110.2(2) . . ?
C25 C23 H23A 109.6 . . ?
C21 C23 H23A 109.6 . . ?
C25 C23 H23B 109.6 . . ?
C21 C23 H23B 109.6 . . ?
H23A C23 H23B 108.1 . . ?
C13 C11 C10 113.3(2) . . ?
C13 C11 C12 108.6(2) . . ?
C10 C11 C12 109.2(2) . . ?
C13 C11 H11A 108.5 . . ?
C10 C11 H11A 108.5 . . ?
C12 C11 H11A 108.5 . . ?
C22 C17 C18 108.2(2) . . ?
C22 C17 C2 112.3(2) . . ?
C18 C17 C2 108.4(2) . . ?
C22 C17 H17A 109.3 . . ?
C18 C17 H17A 109.3 . . ?
C2 C17 H17A 109.3 . . ?
C1 C2 C17 113.4(2) . . ?
C1 C2 C3 102.2(2) . . ?
C17 C2 C3 110.5(2) . . ?
C1 C2 C25 110.5(2) . . ?
C17 C2 C25 107.0(2) . . ?
C3 C2 C25 113.4(2) . . ?
C20 C21 C22 109.1(2) . . ?
C20 C21 C23 109.4(2) . . ?
C22 C21 C23 109.9(2) . . ?
C20 C21 H21A 109.5 . . ?
C22 C21 H21A 109.5 . . ?
C23 C21 H21A 109.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C19 C18 C17 109.9(2) . . ?
C19 C18 H18A 109.7 . . ?
C17 C18 H18A 109.7 . . ?
C19 C18 H18B 109.7 . . ?
C17 C18 H18B 109.7 . . ?
H18A C18 H18B 108.2 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C23 C25 C24 107.7(2) . . ?
C23 C25 C2 111.1(2) . . ?
C24 C25 C2 109.7(2) . . ?
C23 C25 H25A 109.5 . . ?
C24 C25 H25A 109.5 . . ?
C2 C25 H25A 109.5 . . ?
C6 C14 C16 112.2(3) . . ?
C6 C14 C15 109.7(3) . . ?
C16 C14 C15 110.6(3) . . ?
C6 C14 H14A 108.1 . . ?
C16 C14 H14A 108.1 . . ?
C15 C14 H14A 108.1 . . ?
C33 C34 C29 116.7(3) . . ?
C33 C34 C36 122.2(3) . . ?
C29 C34 C36 121.1(3) . . ?
C32 C31 C30 120.6(3) . . ?
C32 C31 H31A 119.7 . . ?
C30 C31 H31A 119.7 . . ?
C31 C32 C33 121.1(3) . . ?
C31 C32 H32A 119.4 . . ?
C33 C32 H32A 119.4 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C34 C33 C32 120.6(3) . . ?
C34 C33 H33A 119.7 . . ?
C32 C33 H33A 119.7 . . ?
C9 C8 C7 120.0(3) . . ?
C9 C8 H8A 120.0 . . ?
C7 C8 H8A 120.0 . . ?
C34 C29 C30 124.4(3) . . ?
C34 C29 N2 118.2(3) . . ?
C30 C29 N2 117.4(3) . . ?
C8 C9 C10 121.4(3) . . ?
C8 C9 H9A 119.3 . . ?
C10 C9 H9A 119.3 . . ?
C21 C20 C19 109.0(2) . . ?
C21 C20 H20A 109.9 . . ?
C19 C20 H20A 109.9 . . ?
C21 C20 H20B 109.9 . . ?
C19 C20 H20B 109.9 . . ?
H20A C20 H20B 108.3 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C8 C7 C6 121.5(3) . . ?
C8 C7 H7A 119.3 . . ?
C6 C7 H7A 119.3 . . ?
C24 C19 C20 109.2(2) . . ?
C24 C19 C18 109.3(2) . . ?
C20 C19 C18 109.9(2) . . ?
C24 C19 H19A 109.5 . . ?
C20 C19 H19A 109.5 . . ?
C18 C19 H19A 109.5 . . ?
C19 C24 C25 110.0(2) . . ?
C19 C24 H24A 109.7 . . ?
C25 C24 H24A 109.7 . . ?
C19 C24 H24B 109.7 . . ?
C25 C24 H24B 109.7 . . ?
H24A C24 H24B 108.2 . . ?
C31 C30 C29 116.6(3) . . ?
C31 C30 C35 121.6(3) . . ?
C29 C30 C35 121.8(3) . . ?
C30 C35 H35A 109.5 . . ?
C30 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C30 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5 N1 C1 C2 177.8(2) . . . . ?
C4 N1 C1 C2 1.1(3) . . . . ?
C5 N1 C1 Au1 0.7(3) . . . . ?
C4 N1 C1 Au1 -176.00(17) . . . . ?
C28 Au1 C1 N1 55.3(12) . . . . ?
C28 Au1 C1 C2 -121.1(11) . . . . ?
C1 Au1 C28 N2 -5(3) . . . . ?
Au1 C28 N2 C29 2(6) . . . . ?
C1 N1 C5 C10 -84.8(3) . . . . ?
C4 N1 C5 C10 91.7(3) . . . . ?
C1 N1 C5 C6 95.0(3) . . . . ?
C4 N1 C5 C6 -88.4(3) . . . . ?
C6 C5 C10 C9 4.4(4) . . . . ?
N1 C5 C10 C9 -175.8(2) . . . . ?
C6 C5 C10 C11 -171.1(2) . . . . ?
N1 C5 C10 C11 8.8(4) . . . . ?
C1 N1 C4 C27 -131.9(2) . . . . ?
C5 N1 C4 C27 51.3(3) . . . . ?
C1 N1 C4 C26 106.4(2) . . . . ?
C5 N1 C4 C26 -70.4(3) . . . . ?
C1 N1 C4 C3 -12.3(3) . . . . ?
C5 N1 C4 C3 170.9(2) . . . . ?
C10 C5 C6 C7 -3.5(4) . . . . ?
N1 C5 C6 C7 176.7(2) . . . . ?
C10 C5 C6 C14 171.5(3) . . . . ?
N1 C5 C6 C14 -8.3(4) . . . . ?
N1 C4 C3 C2 18.1(2) . . . . ?
C27 C4 C3 C2 138.0(2) . . . . ?
C26 C4 C3 C2 -97.6(3) . . . . ?
C9 C10 C11 C13 59.9(3) . . . . ?
C5 C10 C11 C13 -124.7(3) . . . . ?
C9 C10 C11 C12 -61.4(3) . . . . ?
C5 C10 C11 C12 114.1(3) . . . . ?
C21 C22 C17 C18 -60.7(3) . . . . ?
C21 C22 C17 C2 58.9(3) . . . . ?
N1 C1 C2 C17 129.6(2) . . . . ?
Au1 C1 C2 C17 -53.7(3) . . . . ?
N1 C1 C2 C3 10.7(3) . . . . ?
Au1 C1 C2 C3 -172.65(18) . . . . ?
N1 C1 C2 C25 -110.3(2) . . . . ?
Au1 C1 C2 C25 66.4(3) . . . . ?
C22 C17 C2 C1 64.8(3) . . . . ?
C18 C17 C2 C1 -175.7(2) . . . . ?
C22 C17 C2 C3 178.8(2) . . . . ?
C18 C17 C2 C3 -61.7(3) . . . . ?
C22 C17 C2 C25 -57.3(3) . . . . ?
C18 C17 C2 C25 62.2(3) . . . . ?
C4 C3 C2 C1 -18.0(3) . . . . ?
C4 C3 C2 C17 -139.0(2) . . . . ?
C4 C3 C2 C25 100.9(2) . . . . ?
C17 C22 C21 C20 62.0(3) . . . . ?
C17 C22 C21 C23 -57.9(3) . . . . ?
C25 C23 C21 C20 -60.8(3) . . . . ?
C25 C23 C21 C22 59.0(3) . . . . ?
C22 C17 C18 C19 59.2(3) . . . . ?
C2 C17 C18 C19 -62.9(3) . . . . ?
C21 C23 C25 C24 60.2(3) . . . . ?
C21 C23 C25 C2 -59.9(3) . . . . ?
C1 C2 C25 C23 -66.3(3) . . . . ?
C17 C2 C25 C23 57.6(3) . . . . ?
C3 C2 C25 C23 179.7(2) . . . . ?
C1 C2 C25 C24 174.8(2) . . . . ?
C17 C2 C25 C24 -61.3(3) . . . . ?
C3 C2 C25 C24 60.8(3) . . . . ?
C7 C6 C14 C16 -49.2(4) . . . . ?
C5 C6 C14 C16 135.9(3) . . . . ?
C7 C6 C14 C15 74.1(3) . . . . ?
C5 C6 C14 C15 -100.8(3) . . . . ?
C30 C31 C32 C33 0.0(5) . . . . ?
C29 C34 C33 C32 -0.9(4) . . . . ?
C36 C34 C33 C32 179.0(3) . . . . ?
C31 C32 C33 C34 0.6(5) . . . . ?
C33 C34 C29 C30 0.6(4) . . . . ?
C36 C34 C29 C30 -179.3(3) . . . . ?
C33 C34 C29 N2 -179.6(3) . . . . ?
C36 C34 C29 N2 0.4(4) . . . . ?
C28 N2 C29 C34 -159(4) . . . . ?
C28 N2 C29 C30 21(4) . . . . ?
C7 C8 C9 C10 -1.6(4) . . . . ?
C5 C10 C9 C8 -1.8(4) . . . . ?
C11 C10 C9 C8 174.0(3) . . . . ?
C22 C21 C20 C19 -60.5(3) . . . . ?
C23 C21 C20 C19 59.8(3) . . . . ?
C9 C8 C7 C6 2.6(5) . . . . ?
C5 C6 C7 C8 -0.1(4) . . . . ?
C14 C6 C7 C8 -175.3(3) . . . . ?
C21 C20 C19 C24 -60.3(3) . . . . ?
C21 C20 C19 C18 59.6(3) . . . . ?
C17 C18 C19 C24 60.4(3) . . . . ?
C17 C18 C19 C20 -59.4(3) . . . . ?
C20 C19 C24 C25 61.5(3) . . . . ?
C18 C19 C24 C25 -58.8(3) . . . . ?
C23 C25 C24 C19 -60.8(3) . . . . ?
C2 C25 C24 C19 60.2(3) . . . . ?
C32 C31 C30 C29 -0.4(4) . . . . ?
C32 C31 C30 C35 179.0(3) . . . . ?
C34 C29 C30 C31 0.0(4) . . . . ?
N2 C29 C30 C31 -179.7(3) . . . . ?
C34 C29 C30 C35 -179.3(3) . . . . ?
N2 C29 C30 C35 0.9(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        26.37
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.420
_refine_diff_density_min         -0.556
_refine_diff_density_rms         0.089

_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH2Cl2, hexane'
####################################################################### 
# 
# 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_14a
_database_code_depnum_ccdc_archive 'CCDC 1568250'
_audit_update_record             
;
2017-08-10 deposited with the CCDC.
2017-10-23 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT412_14a                 
;
PROBLEM: Short Intra XH3 .. XHn     H3C    ..  H27B    ..       1.64 Ang.
RESPONSE: Generated due to disorder of the C3 atom
;
_vrf_PLAT410_14a                 
;
PROBLEM: Short Intra H...H Contact   H3C    ..  H25A    .       1.80 Ang.
RESPONSE: Generated due to disorder of the C3 atom
;
# Added during the CSD deposition process: Thursday 10 August 2017 03:58 PM
# end Validation Reply Form


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C40 H57 Au N3, F6 Sb'
_chemical_formula_sum            'C40 H57 Au F6 N3 Sb'
_chemical_formula_weight         1012.60

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'

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                   9.7273(3)
_cell_length_b                   13.1815(3)
_cell_length_c                   30.9171(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 91.749(4)
_cell_angle_gamma                90.00
_cell_volume                     3962.4(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    99.9(2)
_cell_measurement_reflns_used    15754
_cell_measurement_theta_min      3.2820
_cell_measurement_theta_max      29.2360

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    1.697
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2008
_exptl_absorpt_coefficient_mu    4.440
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7177
_exptl_absorpt_correction_T_max  0.8085
_exptl_absorpt_process_details   
;                                                         
CrysAlisPro 1.171.39.9g (Rigaku Oxford Diffraction, 2015) 
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.         
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      99.9(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'XtaLAB AFC12 (RCD3): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            27773
_diffrn_reflns_av_R_equivalents  0.0282
_diffrn_reflns_av_sigmaI/netI    0.0271
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         2.92
_diffrn_reflns_theta_max         27.49
_reflns_number_total             9081
_reflns_number_gt                8662
_reflns_threshold_expression     'I > 2σ(I)'

_computing_data_collection       'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP (Johnson, 1976 and Farrugia, 1997)'
_computing_publication_material  
'SHELXL-97 (Sheldrick, 2008) and WINGX (Farrugia, 1999)'


_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0300P)²+5.7000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9081
_refine_ls_number_parameters     471
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0289
_refine_ls_R_factor_gt           0.0269
_refine_ls_wR_factor_ref         0.0638
_refine_ls_wR_factor_gt          0.0628
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.041
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.808514(11) 0.192274(8) 0.865359(4) 0.01993(4) Uani 1 1 d . . .
Sb1 Sb 0.65704(2) 0.230049(15) 0.096501(7) 0.02242(5) Uani 1 1 d . . .
F4 F 0.5927(2) 0.33680(15) 0.06148(7) 0.0315(4) Uani 1 1 d . . .
F5 F 0.4755(2) 0.18517(14) 0.10260(7) 0.0354(5) Uani 1 1 d . . .
F3 F 0.8390(2) 0.27262(16) 0.08933(7) 0.0367(5) Uani 1 1 d . . .
F2 F 0.7161(3) 0.12388(18) 0.13224(8) 0.0518(6) Uani 1 1 d . . .
F6 F 0.6717(2) 0.14728(15) 0.04764(7) 0.0387(5) Uani 1 1 d . . .
F1 F 0.6422(2) 0.31538(17) 0.14466(7) 0.0415(5) Uani 1 1 d . . .
N3 N 0.6416(3) 0.00236(19) 0.86798(8) 0.0221(5) Uani 1 1 d . . .
H3A H 0.5732 -0.0326 0.8768 0.027 Uiso 1 1 calc R . .
N2 N 0.5593(3) 0.1280(2) 0.90981(9) 0.0279(6) Uani 1 1 d . . .
N1 N 0.9759(2) 0.37190(18) 0.87923(8) 0.0187(5) Uani 1 1 d . A .
C28 C 0.6517(3) 0.0982(2) 0.88186(10) 0.0213(6) Uani 1 1 d . . .
C7 C 0.8043(3) 0.3847(2) 0.98535(10) 0.0215(6) Uani 1 1 d . . .
H7A H 0.8157 0.3591 1.0133 0.026 Uiso 1 1 calc R . .
C5 C 0.8765(3) 0.3969(2) 0.91214(9) 0.0169(5) Uani 1 1 d . . .
C33 C 0.7345(3) -0.0474(2) 0.83978(10) 0.0195(6) Uani 1 1 d . . .
C8 C 0.6950(3) 0.4487(2) 0.97574(10) 0.0218(6) Uani 1 1 d . . .
H8A H 0.6357 0.4677 0.9973 0.026 Uiso 1 1 calc R . .
C34 C 0.8414(3) -0.1066(2) 0.85816(11) 0.0258(7) Uani 1 1 d . . .
C14 C 1.0114(3) 0.2826(2) 0.96691(10) 0.0222(6) Uani 1 1 d . . .
H14A H 1.0738 0.2771 0.9427 0.027 Uiso 1 1 calc R . .
C6 C 0.8979(3) 0.3577(2) 0.95396(9) 0.0181(6) Uani 1 1 d . . .
C9 C 0.6739(3) 0.4845(2) 0.93421(10) 0.0214(6) Uani 1 1 d . . .
H9A H 0.5997 0.5272 0.9281 0.026 Uiso 1 1 calc R . .
C1 C 0.9683(3) 0.2891(2) 0.85632(10) 0.0213(6) Uani 1 1 d . A .
C16 C 1.0958(3) 0.3184(3) 1.00685(11) 0.0306(7) Uani 1 1 d . . .
H16A H 1.1277 0.3864 1.0022 0.046 Uiso 1 1 calc R . .
H16B H 1.1733 0.2742 1.0116 0.046 Uiso 1 1 calc R . .
H16C H 1.0393 0.3170 1.0317 0.046 Uiso 1 1 calc R . .
C38 C 0.7082(3) -0.0449(2) 0.79514(10) 0.0226(6) Uani 1 1 d . . .
C15 C 0.9517(4) 0.1770(2) 0.97522(11) 0.0279(7) Uani 1 1 d . . .
H15A H 0.9032 0.1535 0.9496 0.042 Uiso 1 1 calc R . .
H15B H 0.8896 0.1805 0.9987 0.042 Uiso 1 1 calc R . .
H15C H 1.0251 0.1307 0.9825 0.042 Uiso 1 1 calc R . .
C4 C 1.1006(3) 0.4398(2) 0.87166(10) 0.0231(6) Uani 1 1 d . . .
C10 C 0.7619(3) 0.4579(2) 0.90113(9) 0.0190(6) Uani 1 1 d . . .
C19 C 1.2763(3) 0.1826(2) 0.76473(11) 0.0266(7) Uani 1 1 d . A .
H19A H 1.3618 0.1834 0.7488 0.032 Uiso 1 1 calc R . .
C32 C 0.4522(3) 0.0623(2) 0.92777(11) 0.0259(7) Uani 1 1 d . . .
H32A H 0.4928 0.0026 0.9413 0.031 Uiso 1 1 calc R . .
H32B H 0.3868 0.0410 0.9053 0.031 Uiso 1 1 calc R . .
C2 C 1.0952(3) 0.2802(3) 0.82854(11) 0.0284(7) Uani 1 1 d . . .
C40 C 0.5966(4) 0.0215(3) 0.77601(11) 0.0337(8) Uani 1 1 d . . .
H40A H 0.6054 0.0249 0.7452 0.051 Uiso 1 1 calc R . .
H40B H 0.6046 0.0884 0.7881 0.051 Uiso 1 1 calc R . .
H40C H 0.5085 -0.0065 0.7825 0.051 Uiso 1 1 calc R . .
C11 C 0.7224(3) 0.4908(3) 0.85514(10) 0.0261(7) Uani 1 1 d . . .
H11A H 0.7956 0.4691 0.8361 0.031 Uiso 1 1 calc R . .
C37 C 0.7883(3) -0.1056(3) 0.76915(11) 0.0271(7) Uani 1 1 d . . .
H37A H 0.7708 -0.1064 0.7394 0.033 Uiso 1 1 calc R . .
C24 C 0.9775(4) 0.1842(4) 0.76741(12) 0.0489(12) Uani 1 1 d . . .
H24A H 0.8927 0.1832 0.7831 0.059 Uiso 1 1 calc R A .
H24B H 0.9540 0.1857 0.7367 0.059 Uiso 1 1 calc R . .
C17 C 1.1760(3) 0.1812(3) 0.83873(11) 0.0386(9) Uani 1 1 d . A .
H17A H 1.1986 0.1784 0.8698 0.046 Uiso 1 1 calc R . .
C25 C 1.0598(4) 0.2780(3) 0.77976(11) 0.0352(9) Uani 1 1 d . A .
H25A H 1.0062 0.3386 0.7719 0.042 Uiso 1 1 calc R . .
C35 C 0.9202(3) -0.1635(2) 0.83041(12) 0.0307(7) Uani 1 1 d . . .
H35A H 0.9931 -0.2018 0.8417 0.037 Uiso 1 1 calc R . .
C36 C 0.8927(3) -0.1644(3) 0.78644(12) 0.0311(8) Uani 1 1 d . . .
H36A H 0.9448 -0.2048 0.7685 0.037 Uiso 1 1 calc R . .
C23 C 1.1933(5) 0.2769(3) 0.75378(13) 0.0438(10) Uani 1 1 d . . .
H23A H 1.1704 0.2781 0.7230 0.053 Uiso 1 1 calc R A .
H23B H 1.2475 0.3369 0.7607 0.053 Uiso 1 1 calc R . .
C26 C 1.1780(4) 0.4632(3) 0.91314(14) 0.0472(11) Uani 1 1 d . A .
H26A H 1.1188 0.4983 0.9324 0.071 Uiso 1 1 calc R . .
H26B H 1.2559 0.5051 0.9072 0.071 Uiso 1 1 calc R . .
H26C H 1.2090 0.4011 0.9264 0.071 Uiso 1 1 calc R . .
C20 C 1.1936(4) 0.0889(3) 0.75238(14) 0.0401(9) Uani 1 1 d . . .
H20A H 1.2465 0.0282 0.7592 0.048 Uiso 1 1 calc R A .
H20B H 1.1717 0.0891 0.7216 0.048 Uiso 1 1 calc R . .
C12 C 0.5891(3) 0.4377(3) 0.84023(11) 0.0352(8) Uani 1 1 d . . .
H12A H 0.5620 0.4613 0.8119 0.053 Uiso 1 1 calc R . .
H12B H 0.5179 0.4528 0.8601 0.053 Uiso 1 1 calc R . .
H12C H 0.6038 0.3657 0.8394 0.053 Uiso 1 1 calc R . .
C13 C 0.7073(4) 0.6055(3) 0.85116(13) 0.0405(9) Uani 1 1 d . . .
H13A H 0.7869 0.6378 0.8640 0.061 Uiso 1 1 calc R . .
H13B H 0.6267 0.6270 0.8658 0.061 Uiso 1 1 calc R . .
H13C H 0.6988 0.6238 0.8211 0.061 Uiso 1 1 calc R . .
C39 C 0.8690(4) -0.1064(3) 0.90633(12) 0.0416(9) Uani 1 1 d . . .
H39A H 0.9494 -0.1463 0.9131 0.062 Uiso 1 1 calc R . .
H39B H 0.7915 -0.1348 0.9205 0.062 Uiso 1 1 calc R . .
H39C H 0.8838 -0.0381 0.9161 0.062 Uiso 1 1 calc R . .
C18 C 1.3105(4) 0.1805(4) 0.81347(12) 0.0439(10) Uani 1 1 d . . .
H18A H 1.3658 0.2392 0.8215 0.053 Uiso 1 1 calc R A .
H18B H 1.3632 0.1200 0.8207 0.053 Uiso 1 1 calc R . .
C31 C 0.3828(4) 0.1279(3) 0.96095(14) 0.0472(11) Uani 1 1 d . . .
H31A H 0.2854 0.1342 0.9539 0.057 Uiso 1 1 calc R . .
H31B H 0.3936 0.0981 0.9895 0.057 Uiso 1 1 calc R . .
C22 C 1.0957(4) 0.0873(3) 0.82580(16) 0.0513(13) Uani 1 1 d . . .
H22A H 1.1500 0.0274 0.8326 0.062 Uiso 1 1 calc R A .
H22B H 1.0119 0.0840 0.8419 0.062 Uiso 1 1 calc R . .
C21 C 1.0606(4) 0.0898(3) 0.77800(15) 0.0493(12) Uani 1 1 d . A .
H21A H 1.0058 0.0297 0.7702 0.059 Uiso 1 1 calc R . .
C27 C 1.0567(4) 0.5375(3) 0.85089(16) 0.0579(14) Uani 1 1 d . A .
H27A H 0.9974 0.5735 0.8698 0.087 Uiso 1 1 calc R . .
H27B H 1.0083 0.5236 0.8240 0.087 Uiso 1 1 calc R . .
H27C H 1.1364 0.5780 0.8455 0.087 Uiso 1 1 calc R . .
C30 C 0.4491(5) 0.2265(3) 0.95982(16) 0.0531(12) Uani 1 1 d . . .
H30A H 0.3814 0.2777 0.9518 0.064 Uiso 1 1 calc R . .
H30B H 0.4860 0.2430 0.9885 0.064 Uiso 1 1 calc R . .
C29 C 0.5572(5) 0.2285(3) 0.92985(18) 0.0586(15) Uani 1 1 d . . .
H29A H 0.6445 0.2426 0.9446 0.070 Uiso 1 1 calc R . .
H29B H 0.5401 0.2804 0.9081 0.070 Uiso 1 1 calc R . .
C3' C 1.1979(6) 0.3610(4) 0.84982(19) 0.0197(8) Uani 0.50 1 d P A 1
H3'A H 1.2591 0.3293 0.8712 0.024 Uiso 0.50 1 calc PR A 1
H3'B H 1.2525 0.3934 0.8280 0.024 Uiso 0.50 1 calc PR A 1
C3 C 1.1445(6) 0.3958(4) 0.82750(19) 0.0197(8) Uani 0.50 1 d P A 2
H3B H 1.2434 0.4001 0.8247 0.024 Uiso 0.50 1 calc PR A 2
H3C H 1.1000 0.4320 0.8036 0.024 Uiso 0.50 1 calc PR A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 C1 2.037(3) . ?
Au1 C28 2.043(3) . ?
Sb1 F2 1.863(2) . ?
Sb1 F4 1.8716(19) . ?
Sb1 F6 1.872(2) . ?
Sb1 F1 1.875(2) . ?
Sb1 F3 1.8762(19) . ?
Sb1 F5 1.8770(19) . ?
N3 C28 1.337(4) . ?
N3 C33 1.433(4) . ?
N3 H3A 0.8600 . ?
N2 C28 1.326(4) . ?
N2 C29 1.463(4) . ?
N2 C32 1.476(4) . ?
N1 C1 1.302(4) . ?
N1 C5 1.462(4) . ?
N1 C4 1.531(4) . ?
C7 C8 1.382(4) . ?
C7 C6 1.397(4) . ?
C7 H7A 0.9300 . ?
C5 C6 1.402(4) . ?
C5 C10 1.409(4) . ?
C33 C38 1.396(4) . ?
C33 C34 1.406(4) . ?
C8 C9 1.377(4) . ?
C8 H8A 0.9300 . ?
C34 C35 1.388(5) . ?
C34 C39 1.505(5) . ?
C14 C6 1.527(4) . ?
C14 C15 1.534(4) . ?
C14 C16 1.536(5) . ?
C14 H14A 0.9800 . ?
C9 C10 1.398(4) . ?
C9 H9A 0.9300 . ?
C1 C2 1.530(4) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C38 C37 1.389(4) . ?
C38 C40 1.501(4) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C4 C27 1.495(5) . ?
C4 C26 1.499(5) . ?
C4 C3 1.556(6) . ?
C4 C3' 1.572(6) . ?
C10 C11 1.524(4) . ?
C19 C23 1.515(5) . ?
C19 C20 1.517(5) . ?
C19 C18 1.533(5) . ?
C19 H19A 0.9800 . ?
C32 C31 1.515(5) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C2 C25 1.537(5) . ?
C2 C17 1.551(5) . ?
C2 C3' 1.589(6) . ?
C2 C3 1.598(6) . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C11 C13 1.523(5) . ?
C11 C12 1.532(5) . ?
C11 H11A 0.9800 . ?
C37 C36 1.373(5) . ?
C37 H37A 0.9300 . ?
C24 C21 1.515(6) . ?
C24 C25 1.516(6) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C17 C22 1.510(6) . ?
C17 C18 1.544(5) . ?
C17 H17A 0.9800 . ?
C25 C23 1.548(5) . ?
C25 H25A 0.9800 . ?
C35 C36 1.378(5) . ?
C35 H35A 0.9300 . ?
C36 H36A 0.9300 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C20 C21 1.537(5) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C31 C30 1.453(6) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C22 C21 1.507(7) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C21 H21A 0.9800 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C30 C29 1.423(5) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C3' H3'A 0.9700 . ?
C3' H3'B 0.9700 . ?
C3 H3B 0.9700 . ?
C3 H3C 0.9700 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Au1 C28 173.41(12) . . ?
F2 Sb1 F4 178.26(10) . . ?
F2 Sb1 F6 90.63(11) . . ?
F4 Sb1 F6 90.22(10) . . ?
F2 Sb1 F1 90.54(11) . . ?
F4 Sb1 F1 88.62(10) . . ?
F6 Sb1 F1 178.78(10) . . ?
F2 Sb1 F3 91.14(10) . . ?
F4 Sb1 F3 90.39(9) . . ?
F6 Sb1 F3 89.05(10) . . ?
F1 Sb1 F3 90.59(10) . . ?
F2 Sb1 F5 88.72(10) . . ?
F4 Sb1 F5 89.77(9) . . ?
F6 Sb1 F5 89.58(9) . . ?
F1 Sb1 F5 90.78(10) . . ?
F3 Sb1 F5 178.62(10) . . ?
C28 N3 C33 125.9(2) . . ?
C28 N3 H3A 117.1 . . ?
C33 N3 H3A 117.1 . . ?
C28 N2 C29 124.3(3) . . ?
C28 N2 C32 124.9(3) . . ?
C29 N2 C32 110.6(3) . . ?
C1 N1 C5 122.6(2) . . ?
C1 N1 C4 116.1(2) . . ?
C5 N1 C4 121.2(2) . . ?
N2 C28 N3 116.4(3) . . ?
N2 C28 Au1 120.6(2) . . ?
N3 C28 Au1 122.8(2) . . ?
C8 C7 C6 121.3(3) . . ?
C8 C7 H7A 119.4 . . ?
C6 C7 H7A 119.4 . . ?
C6 C5 C10 121.8(3) . . ?
C6 C5 N1 118.4(2) . . ?
C10 C5 N1 119.7(3) . . ?
C38 C33 C34 121.5(3) . . ?
C38 C33 N3 119.4(3) . . ?
C34 C33 N3 118.7(3) . . ?
C9 C8 C7 120.1(3) . . ?
C9 C8 H8A 120.0 . . ?
C7 C8 H8A 120.0 . . ?
C35 C34 C33 117.8(3) . . ?
C35 C34 C39 121.8(3) . . ?
C33 C34 C39 120.4(3) . . ?
C6 C14 C15 111.0(3) . . ?
C6 C14 C16 112.1(3) . . ?
C15 C14 C16 109.9(3) . . ?
C6 C14 H14A 107.9 . . ?
C15 C14 H14A 107.9 . . ?
C16 C14 H14A 107.9 . . ?
C7 C6 C5 117.7(3) . . ?
C7 C6 C14 117.7(3) . . ?
C5 C6 C14 124.5(3) . . ?
C8 C9 C10 121.3(3) . . ?
C8 C9 H9A 119.4 . . ?
C10 C9 H9A 119.4 . . ?
N1 C1 C2 109.6(2) . . ?
N1 C1 Au1 118.8(2) . . ?
C2 C1 Au1 131.4(2) . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C37 C38 C33 118.0(3) . . ?
C37 C38 C40 121.3(3) . . ?
C33 C38 C40 120.8(3) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C27 C4 C26 108.7(3) . . ?
C27 C4 N1 110.6(3) . . ?
C26 C4 N1 111.7(3) . . ?
C27 C4 C3 91.5(4) . . ?
C26 C4 C3 133.1(4) . . ?
N1 C4 C3 99.0(3) . . ?
C27 C4 C3' 123.5(4) . . ?
C26 C4 C3' 102.1(4) . . ?
N1 C4 C3' 99.8(3) . . ?
C3 C4 C3' 36.0(3) . . ?
C9 C10 C5 117.6(3) . . ?
C9 C10 C11 118.0(3) . . ?
C5 C10 C11 124.3(3) . . ?
C23 C19 C20 109.7(3) . . ?
C23 C19 C18 109.4(3) . . ?
C20 C19 C18 109.3(3) . . ?
C23 C19 H19A 109.5 . . ?
C20 C19 H19A 109.5 . . ?
C18 C19 H19A 109.5 . . ?
N2 C32 C31 104.7(3) . . ?
N2 C32 H32A 110.8 . . ?
C31 C32 H32A 110.8 . . ?
N2 C32 H32B 110.8 . . ?
C31 C32 H32B 110.8 . . ?
H32A C32 H32B 108.9 . . ?
C1 C2 C25 113.1(3) . . ?
C1 C2 C17 111.3(3) . . ?
C25 C2 C17 106.3(3) . . ?
C1 C2 C3' 103.0(3) . . ?
C25 C2 C3' 122.5(3) . . ?
C17 C2 C3' 99.9(3) . . ?
C1 C2 C3 100.7(3) . . ?
C25 C2 C3 93.2(3) . . ?
C17 C2 C3 131.0(3) . . ?
C3' C2 C3 35.3(3) . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C13 C11 C10 112.2(3) . . ?
C13 C11 C12 110.5(3) . . ?
C10 C11 C12 109.7(3) . . ?
C13 C11 H11A 108.1 . . ?
C10 C11 H11A 108.1 . . ?
C12 C11 H11A 108.1 . . ?
C36 C37 C38 121.4(3) . . ?
C36 C37 H37A 119.3 . . ?
C38 C37 H37A 119.3 . . ?
C21 C24 C25 109.9(3) . . ?
C21 C24 H24A 109.7 . . ?
C25 C24 H24A 109.7 . . ?
C21 C24 H24B 109.7 . . ?
C25 C24 H24B 109.7 . . ?
H24A C24 H24B 108.2 . . ?
C22 C17 C18 107.5(3) . . ?
C22 C17 C2 112.4(3) . . ?
C18 C17 C2 109.5(3) . . ?
C22 C17 H17A 109.1 . . ?
C18 C17 H17A 109.1 . . ?
C2 C17 H17A 109.1 . . ?
C24 C25 C2 111.3(3) . . ?
C24 C25 C23 107.9(3) . . ?
C2 C25 C23 110.1(3) . . ?
C24 C25 H25A 109.2 . . ?
C2 C25 H25A 109.2 . . ?
C23 C25 H25A 109.2 . . ?
C36 C35 C34 121.3(3) . . ?
C36 C35 H35A 119.3 . . ?
C34 C35 H35A 119.3 . . ?
C37 C36 C35 119.9(3) . . ?
C37 C36 H36A 120.0 . . ?
C35 C36 H36A 120.0 . . ?
C19 C23 C25 110.0(3) . . ?
C19 C23 H23A 109.7 . . ?
C25 C23 H23A 109.7 . . ?
C19 C23 H23B 109.7 . . ?
C25 C23 H23B 109.7 . . ?
H23A C23 H23B 108.2 . . ?
C4 C26 H26A 109.5 . . ?
C4 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C4 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C19 C20 C21 108.2(3) . . ?
C19 C20 H20A 110.1 . . ?
C21 C20 H20A 110.1 . . ?
C19 C20 H20B 110.1 . . ?
C21 C20 H20B 110.1 . . ?
H20A C20 H20B 108.4 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C34 C39 H39A 109.5 . . ?
C34 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C34 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C19 C18 C17 109.6(3) . . ?
C19 C18 H18A 109.8 . . ?
C17 C18 H18A 109.8 . . ?
C19 C18 H18B 109.8 . . ?
C17 C18 H18B 109.8 . . ?
H18A C18 H18B 108.2 . . ?
C30 C31 C32 106.7(3) . . ?
C30 C31 H31A 110.4 . . ?
C32 C31 H31A 110.4 . . ?
C30 C31 H31B 110.4 . . ?
C32 C31 H31B 110.4 . . ?
H31A C31 H31B 108.6 . . ?
C21 C22 C17 110.0(3) . . ?
C21 C22 H22A 109.7 . . ?
C17 C22 H22A 109.7 . . ?
C21 C22 H22B 109.7 . . ?
C17 C22 H22B 109.7 . . ?
H22A C22 H22B 108.2 . . ?
C22 C21 C24 109.5(3) . . ?
C22 C21 C20 109.6(4) . . ?
C24 C21 C20 110.3(4) . . ?
C22 C21 H21A 109.1 . . ?
C24 C21 H21A 109.1 . . ?
C20 C21 H21A 109.1 . . ?
C4 C27 H27A 109.5 . . ?
C4 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C4 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C29 C30 C31 111.7(3) . . ?
C29 C30 H30A 109.3 . . ?
C31 C30 H30A 109.3 . . ?
C29 C30 H30B 109.3 . . ?
C31 C30 H30B 109.3 . . ?
H30A C30 H30B 107.9 . . ?
C30 C29 N2 106.2(3) . . ?
C30 C29 H29A 110.5 . . ?
N2 C29 H29A 110.5 . . ?
C30 C29 H29B 110.5 . . ?
N2 C29 H29B 110.5 . . ?
H29A C29 H29B 108.7 . . ?
C4 C3' C2 104.0(4) . . ?
C4 C3' H3'A 111.0 . . ?
C2 C3' H3'A 111.0 . . ?
C4 C3' H3'B 111.0 . . ?
C2 C3' H3'B 111.0 . . ?
H3'A C3' H3'B 109.0 . . ?
C4 C3 C2 104.3(4) . . ?
C4 C3 H3B 110.9 . . ?
C2 C3 H3B 110.9 . . ?
C4 C3 H3C 110.9 . . ?
C2 C3 H3C 110.9 . . ?
H3B C3 H3C 108.9 . . ?

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
C29 N2 C28 N3 177.5(4) . . . . ?
C32 N2 C28 N3 2.9(5) . . . . ?
C29 N2 C28 Au1 2.1(5) . . . . ?
C32 N2 C28 Au1 -172.5(2) . . . . ?
C33 N3 C28 N2 -176.3(3) . . . . ?
C33 N3 C28 Au1 -1.0(4) . . . . ?
C1 Au1 C28 N2 47.7(12) . . . . ?
C1 Au1 C28 N3 -127.4(10) . . . . ?
C1 N1 C5 C6 85.4(4) . . . . ?
C4 N1 C5 C6 -91.0(3) . . . . ?
C1 N1 C5 C10 -93.9(4) . . . . ?
C4 N1 C5 C10 89.7(3) . . . . ?
C28 N3 C33 C38 -91.4(4) . . . . ?
C28 N3 C33 C34 95.4(4) . . . . ?
C6 C7 C8 C9 2.2(5) . . . . ?
C38 C33 C34 C35 -0.5(4) . . . . ?
N3 C33 C34 C35 172.6(3) . . . . ?
C38 C33 C34 C39 178.9(3) . . . . ?
N3 C33 C34 C39 -8.0(4) . . . . ?
C8 C7 C6 C5 -0.7(4) . . . . ?
C8 C7 C6 C14 -177.1(3) . . . . ?
C10 C5 C6 C7 -2.6(4) . . . . ?
N1 C5 C6 C7 178.1(3) . . . . ?
C10 C5 C6 C14 173.5(3) . . . . ?
N1 C5 C6 C14 -5.7(4) . . . . ?
C15 C14 C6 C7 68.0(4) . . . . ?
C16 C14 C6 C7 -55.3(4) . . . . ?
C15 C14 C6 C5 -108.1(3) . . . . ?
C16 C14 C6 C5 128.6(3) . . . . ?
C7 C8 C9 C10 -0.4(5) . . . . ?
C5 N1 C1 C2 -173.9(3) . . . . ?
C4 N1 C1 C2 2.7(4) . . . . ?
C5 N1 C1 Au1 1.9(4) . . . . ?
C4 N1 C1 Au1 178.5(2) . . . . ?
C28 Au1 C1 N1 -42.1(12) . . . . ?
C28 Au1 C1 C2 132.6(10) . . . . ?
C34 C33 C38 C37 2.2(4) . . . . ?
N3 C33 C38 C37 -170.9(3) . . . . ?
C34 C33 C38 C40 -177.9(3) . . . . ?
N3 C33 C38 C40 9.0(4) . . . . ?
C1 N1 C4 C27 112.6(4) . . . . ?
C5 N1 C4 C27 -70.8(4) . . . . ?
C1 N1 C4 C26 -126.3(3) . . . . ?
C5 N1 C4 C26 50.4(4) . . . . ?
C1 N1 C4 C3 17.5(4) . . . . ?
C5 N1 C4 C3 -165.8(3) . . . . ?
C1 N1 C4 C3' -19.0(4) . . . . ?
C5 N1 C4 C3' 157.7(3) . . . . ?
C8 C9 C10 C5 -2.8(4) . . . . ?
C8 C9 C10 C11 173.2(3) . . . . ?
C6 C5 C10 C9 4.3(4) . . . . ?
N1 C5 C10 C9 -176.5(2) . . . . ?
C6 C5 C10 C11 -171.4(3) . . . . ?
N1 C5 C10 C11 7.9(4) . . . . ?
C28 N2 C32 C31 174.6(3) . . . . ?
C29 N2 C32 C31 -0.6(5) . . . . ?
N1 C1 C2 C25 -119.4(3) . . . . ?
Au1 C1 C2 C25 65.6(4) . . . . ?
N1 C1 C2 C17 121.1(3) . . . . ?
Au1 C1 C2 C17 -54.0(4) . . . . ?
N1 C1 C2 C3' 14.9(4) . . . . ?
Au1 C1 C2 C3' -160.2(3) . . . . ?
N1 C1 C2 C3 -21.1(4) . . . . ?
Au1 C1 C2 C3 163.8(3) . . . . ?
C9 C10 C11 C13 58.6(4) . . . . ?
C5 C10 C11 C13 -125.8(3) . . . . ?
C9 C10 C11 C12 -64.7(4) . . . . ?
C5 C10 C11 C12 110.9(3) . . . . ?
C33 C38 C37 C36 -1.8(5) . . . . ?
C40 C38 C37 C36 178.3(3) . . . . ?
C1 C2 C17 C22 66.3(4) . . . . ?
C25 C2 C17 C22 -57.2(4) . . . . ?
C3' C2 C17 C22 174.5(3) . . . . ?
C3 C2 C17 C22 -166.6(4) . . . . ?
C1 C2 C17 C18 -174.3(3) . . . . ?
C25 C2 C17 C18 62.2(4) . . . . ?
C3' C2 C17 C18 -66.1(4) . . . . ?
C3 C2 C17 C18 -47.2(5) . . . . ?
C21 C24 C25 C2 -61.2(4) . . . . ?
C21 C24 C25 C23 59.7(4) . . . . ?
C1 C2 C25 C24 -64.6(4) . . . . ?
C17 C2 C25 C24 57.8(4) . . . . ?
C3' C2 C25 C24 171.3(4) . . . . ?
C3 C2 C25 C24 -167.7(3) . . . . ?
C1 C2 C25 C23 175.9(3) . . . . ?
C17 C2 C25 C23 -61.8(4) . . . . ?
C3' C2 C25 C23 51.7(5) . . . . ?
C3 C2 C25 C23 72.7(4) . . . . ?
C33 C34 C35 C36 -1.7(5) . . . . ?
C39 C34 C35 C36 178.9(3) . . . . ?
C38 C37 C36 C35 -0.3(5) . . . . ?
C34 C35 C36 C37 2.1(5) . . . . ?
C20 C19 C23 C25 61.4(4) . . . . ?
C18 C19 C23 C25 -58.5(4) . . . . ?
C24 C25 C23 C19 -60.2(4) . . . . ?
C2 C25 C23 C19 61.4(4) . . . . ?
C23 C19 C20 C21 -60.0(4) . . . . ?
C18 C19 C20 C21 60.0(4) . . . . ?
C23 C19 C18 C17 59.0(4) . . . . ?
C20 C19 C18 C17 -61.1(4) . . . . ?
C22 C17 C18 C19 60.6(4) . . . . ?
C2 C17 C18 C19 -61.8(4) . . . . ?
N2 C32 C31 C30 1.4(5) . . . . ?
C18 C17 C22 C21 -61.4(4) . . . . ?
C2 C17 C22 C21 59.1(4) . . . . ?
C17 C22 C21 C24 -58.6(4) . . . . ?
C17 C22 C21 C20 62.5(4) . . . . ?
C25 C24 C21 C22 59.9(4) . . . . ?
C25 C24 C21 C20 -60.9(4) . . . . ?
C19 C20 C21 C22 -60.8(4) . . . . ?
C19 C20 C21 C24 59.8(4) . . . . ?
C32 C31 C30 C29 -1.8(6) . . . . ?
C31 C30 C29 N2 1.5(7) . . . . ?
C28 N2 C29 C30 -175.7(4) . . . . ?
C32 N2 C29 C30 -0.5(6) . . . . ?
C27 C4 C3' C2 -97.0(4) . . . . ?
C26 C4 C3' C2 140.7(3) . . . . ?
N1 C4 C3' C2 25.9(4) . . . . ?
C3 C4 C3' C2 -66.0(5) . . . . ?
C1 C2 C3' C4 -25.6(4) . . . . ?
C25 C2 C3' C4 103.0(4) . . . . ?
C17 C2 C3' C4 -140.3(3) . . . . ?
C3 C2 C3' C4 64.7(5) . . . . ?
C27 C4 C3 C2 -139.9(4) . . . . ?
C26 C4 C3 C2 102.5(5) . . . . ?
N1 C4 C3 C2 -28.8(4) . . . . ?
C3' C4 C3 C2 65.5(5) . . . . ?
C1 C2 C3 C4 31.0(4) . . . . ?
C25 C2 C3 C4 145.3(4) . . . . ?
C17 C2 C3 C4 -99.8(5) . . . . ?
C3' C2 C3 C4 -66.3(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        27.49
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.198
_refine_diff_density_min         -1.195
_refine_diff_density_rms         0.097

_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH2Cl2, hexane'
####################################################################### 
# 
# 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_10b
_database_code_depnum_ccdc_archive 'CCDC 1568252'
_audit_update_record             
;
2017-08-10 deposited with the CCDC.
2017-10-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C10 H20 Au Cl N2 O2'
_chemical_formula_sum            'C10 H20 Au Cl N2 O2'
_chemical_formula_weight         432.70

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

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'

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

_cell_length_a                   12.0876(2)
_cell_length_b                   9.43950(10)
_cell_length_c                   13.5065(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 114.107(2)
_cell_angle_gamma                90.00
_cell_volume                     1406.69(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100.00(10)
_cell_measurement_reflns_used    12657
_cell_measurement_theta_min      3.7280
_cell_measurement_theta_max      30.1730

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    2.043
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             824
_exptl_absorpt_coefficient_mu    10.638
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4832
_exptl_absorpt_correction_T_max  0.6756
_exptl_absorpt_process_details   
;                                                                 
CrysAlisPro 1.171.39.12b (Rigaku Oxford Diffraction, 2015)        
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model              
Empirical absorption correction using spherical harmonics,        
 implemented in SCALE3 ABSPACK scaling algorithm.                 
;


_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100.00(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'XtaLAB AFC12 (RCD3): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            16303
_diffrn_reflns_av_R_equivalents  0.0254
_diffrn_reflns_av_sigmaI/netI    0.0178
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.88
_diffrn_reflns_theta_max         27.48
_reflns_number_total             3218
_reflns_number_gt                3132
_reflns_threshold_expression     'I > 2σ(I)'

_computing_data_collection       'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.9g (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP (Johnson, 1976 and Farrugia, 1997)'
_computing_publication_material  
'SHELXL-97 (Sheldrick, 2008) and WINGX (Farrugia, 1999)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0110P)²+2.1000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3218
_refine_ls_number_parameters     150
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0132
_refine_ls_R_factor_gt           0.0125
_refine_ls_wR_factor_ref         0.0278
_refine_ls_wR_factor_gt          0.0274
_refine_ls_goodness_of_fit_ref   0.892
_refine_ls_restrained_S_all      0.892
_refine_ls_shift/su_max          0.004
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.784512(6) 0.089890(7) 0.160911(5) 0.01358(3) Uani 1 1 d . . .
Cl1 Cl 0.73357(4) 0.00367(5) 0.29545(4) 0.02016(10) Uani 1 1 d . . .
O2 O 1.13813(13) 0.12567(15) 0.35189(11) 0.0198(3) Uani 1 1 d . . .
O1 O 1.10248(14) 0.00250(16) 0.19862(11) 0.0235(3) Uani 1 1 d . . .
N2 N 0.94653(14) 0.21684(17) 0.07517(13) 0.0150(3) Uani 1 1 d . . .
N1 N 0.77100(15) 0.14107(18) -0.05966(13) 0.0170(3) Uani 1 1 d . . .
H1A H 0.8058 0.1634 -0.1017 0.020 Uiso 1 1 calc R . .
C8 C 1.09120(17) 0.1069(2) 0.24479(16) 0.0145(4) Uani 1 1 d . . .
C1 C 0.83691(17) 0.15766(19) 0.04552(15) 0.0138(4) Uani 1 1 d . . .
C2 C 0.64371(18) 0.0883(2) -0.11433(16) 0.0173(4) Uani 1 1 d . . .
C7 C 1.02272(17) 0.2392(2) 0.18958(15) 0.0160(4) Uani 1 1 d . . .
H7A H 0.9725 0.2700 0.2260 0.019 Uiso 1 1 calc R . .
H7B H 1.0804 0.3141 0.1965 0.019 Uiso 1 1 calc R . .
C6 C 0.99804(18) 0.2519(2) -0.00353(16) 0.0193(4) Uani 1 1 d . . .
H6A H 0.9461 0.3184 -0.0556 0.029 Uiso 1 1 calc R . .
H6B H 1.0046 0.1673 -0.0402 0.029 Uiso 1 1 calc R . .
H6C H 1.0769 0.2930 0.0339 0.029 Uiso 1 1 calc R . .
C9 C 1.21869(18) 0.0164(2) 0.41947(16) 0.0184(4) Uani 1 1 d . . .
H9A H 1.2185 -0.0647 0.3752 0.022 Uiso 1 1 calc R . .
H9B H 1.1909 -0.0148 0.4739 0.022 Uiso 1 1 calc R . .
C10 C 1.3444(2) 0.0755(2) 0.4734(2) 0.0280(5) Uani 1 1 d . . .
H10A H 1.3980 0.0040 0.5183 0.042 Uiso 1 1 calc R . .
H10B H 1.3441 0.1553 0.5174 0.042 Uiso 1 1 calc R . .
H10C H 1.3717 0.1052 0.4192 0.042 Uiso 1 1 calc R . .
C5 C 0.6091(2) 0.1043(3) -0.23594(17) 0.0259(5) Uani 1 1 d . . .
H5A H 0.6618 0.0469 -0.2566 0.039 Uiso 1 1 calc R . .
H5B H 0.6171 0.2018 -0.2523 0.039 Uiso 1 1 calc R . .
H5C H 0.5267 0.0744 -0.2753 0.039 Uiso 1 1 calc R . .
C4 C 0.55908(19) 0.1800(3) -0.08330(18) 0.0259(5) Uani 1 1 d . . .
H4A H 0.5803 0.1714 -0.0069 0.039 Uiso 1 1 calc R . .
H4B H 0.4770 0.1493 -0.1228 0.039 Uiso 1 1 calc R . .
H4C H 0.5667 0.2771 -0.1006 0.039 Uiso 1 1 calc R . .
C3 C 0.6367(2) -0.0667(2) -0.08750(19) 0.0262(5) Uani 1 1 d . . .
H3A H 0.6598 -0.0769 -0.0109 0.039 Uiso 1 1 calc R . .
H3B H 0.6907 -0.1210 -0.1086 0.039 Uiso 1 1 calc R . .
H3C H 0.5553 -0.1003 -0.1260 0.039 Uiso 1 1 calc R . .


_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 2.0114(19) . ?
Au1 Cl1 2.2929(5) . ?
O2 C8 1.332(2) . ?
O2 C9 1.456(2) . ?
O1 C8 1.203(2) . ?
N2 C1 1.340(2) . ?
N2 C7 1.455(2) . ?
N2 C6 1.472(2) . ?
N1 C1 1.324(2) . ?
N1 C2 1.494(2) . ?
N1 H1A 0.8600 . ?
C8 C7 1.515(3) . ?
C2 C3 1.518(3) . ?
C2 C4 1.524(3) . ?
C2 C5 1.528(3) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C9 C10 1.499(3) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Au1 Cl1 176.78(5) . . ?
C8 O2 C9 117.75(15) . . ?
C1 N2 C7 119.83(16) . . ?
C1 N2 C6 122.44(16) . . ?
C7 N2 C6 117.59(16) . . ?
C1 N1 C2 128.06(17) . . ?
C1 N1 H1A 116.0 . . ?
C2 N1 H1A 116.0 . . ?
O1 C8 O2 125.69(18) . . ?
O1 C8 C7 125.06(18) . . ?
O2 C8 C7 109.24(16) . . ?
N1 C1 N2 117.27(17) . . ?
N1 C1 Au1 123.50(14) . . ?
N2 C1 Au1 119.15(13) . . ?
N1 C2 C3 110.46(17) . . ?
N1 C2 C4 110.27(16) . . ?
C3 C2 C4 111.89(19) . . ?
N1 C2 C5 105.83(16) . . ?
C3 C2 C5 109.53(17) . . ?
C4 C2 C5 108.66(18) . . ?
N2 C7 C8 112.62(16) . . ?
N2 C7 H7A 109.1 . . ?
C8 C7 H7A 109.1 . . ?
N2 C7 H7B 109.1 . . ?
C8 C7 H7B 109.1 . . ?
H7A C7 H7B 107.8 . . ?
N2 C6 H6A 109.5 . . ?
N2 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
N2 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O2 C9 C10 109.05(16) . . ?
O2 C9 H9A 109.9 . . ?
C10 C9 H9A 109.9 . . ?
O2 C9 H9B 109.9 . . ?
C10 C9 H9B 109.9 . . ?
H9A C9 H9B 108.3 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C2 C5 H5A 109.5 . . ?
C2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C9 O2 C8 O1 5.6(3) . . . . ?
C9 O2 C8 C7 -173.42(16) . . . . ?
C2 N1 C1 N2 -175.18(18) . . . . ?
C2 N1 C1 Au1 8.1(3) . . . . ?
C7 N2 C1 N1 179.37(17) . . . . ?
C6 N2 C1 N1 -5.1(3) . . . . ?
C7 N2 C1 Au1 -3.8(2) . . . . ?
C6 N2 C1 Au1 171.78(14) . . . . ?
Cl1 Au1 C1 N1 113.5(9) . . . . ?
Cl1 Au1 C1 N2 -63.1(10) . . . . ?
C1 N1 C2 C3 -66.9(3) . . . . ?
C1 N1 C2 C4 57.3(3) . . . . ?
C1 N1 C2 C5 174.67(19) . . . . ?
C1 N2 C7 C8 81.9(2) . . . . ?
C6 N2 C7 C8 -93.9(2) . . . . ?
O1 C8 C7 N2 13.9(3) . . . . ?
O2 C8 C7 N2 -167.08(16) . . . . ?
C8 O2 C9 C10 112.7(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.424
_refine_diff_density_min         -0.345
_refine_diff_density_rms         0.084

_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH2Cl2, hexane'
