# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_Au_nixantphos_SCN
_database_code_depnum_ccdc_archive 'CCDC 1062108'
_audit_update_record             
;
2015-06-15 deposited with the CCDC.
2015-06-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C37 H27 Au N2 O P2 S'
_chemical_formula_sum            'C37 H27 Au N2 O P2 S'
_chemical_formula_weight         806.57

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   11.0432(5)
_cell_length_b                   12.5167(6)
_cell_length_c                   13.2977(5)
_cell_angle_alpha                93.219(2)
_cell_angle_beta                 113.830(3)
_cell_angle_gamma                110.6760(10)
_cell_volume                     1530.04(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    61032
_cell_measurement_theta_min      3.06
_cell_measurement_theta_max      29.11

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.751
_exptl_crystal_F_000             792
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.390
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.230
_exptl_absorpt_coefficient_mu    5.015
_shelx_estimated_absorpt_T_min   0.245
_shelx_estimated_absorpt_T_max   0.392
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.202
_exptl_absorpt_correction_T_max  0.316
_exptl_absorpt_process_details   'CrystalClear (Rigaku/MSC, 2005)'
_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_measurement_device_type  'R Axis Rapid'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            89591
_diffrn_reflns_av_unetI/netI     0.0496
_diffrn_reflns_av_R_equivalents  0.0596
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         3.070
_diffrn_reflns_theta_max         29.127
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             8213
_reflns_number_gt                7252
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'PLATON (Spek, 2014)'
_computing_publication_material  'WinGX (Farrugia, 2014), PLATON (Spek, 2014)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+14.2861P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8213
_refine_ls_number_parameters     400
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0434
_refine_ls_R_factor_gt           0.0327
_refine_ls_wR_factor_ref         0.0896
_refine_ls_wR_factor_gt          0.0658
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.46455(2) 0.80845(2) 0.41105(2) 0.01683(6) Uani 1 1 d . . . . .
S1 S 0.69840(14) 0.97954(11) 0.53338(11) 0.0237(3) Uani 1 1 d . . . . .
P1 P 0.44728(13) 0.74617(11) 0.23170(10) 0.0156(2) Uani 1 1 d . . . . .
P2 P 0.28008(13) 0.70524(11) 0.45821(10) 0.0155(2) Uani 1 1 d . . . . .
O1 O 0.2755(4) 0.5410(3) 0.2940(3) 0.0168(7) Uani 1 1 d . . . . .
N1 N 0.2812(5) 0.3272(4) 0.2952(4) 0.0195(8) Uani 1 1 d D . . . .
N2 N 0.7713(5) 0.9254(4) 0.7487(4) 0.0258(10) Uani 1 1 d . . . . .
C1 C 0.4288(5) 0.5944(4) 0.2033(4) 0.0167(9) Uani 1 1 d . . . . .
C1A C 0.5970(5) 0.8252(4) 0.2012(4) 0.0181(9) Uani 1 1 d . . . . .
C1B C 0.2874(5) 0.7498(4) 0.1162(4) 0.0162(9) Uani 1 1 d . . . . .
C1C C 0.1001(5) 0.6619(4) 0.3391(4) 0.0173(9) Uani 1 1 d . . . . .
C1D C 0.2681(5) 0.7586(4) 0.5821(4) 0.0154(9) Uani 1 1 d . . . . .
C2 C 0.4932(5) 0.5583(4) 0.1443(4) 0.0192(10) Uani 1 1 d . . . . .
H2 H 0.5457 0.6124 0.1139 0.023 Uiso 1 1 calc R U . . .
C2A C 0.7383(5) 0.8729(4) 0.2911(4) 0.0209(10) Uani 1 1 d . . . . .
H2A H 0.7528 0.8670 0.3657 0.025 Uiso 1 1 calc R U . . .
C2B C 0.2684(5) 0.8532(4) 0.1223(4) 0.0183(9) Uani 1 1 d . . . . .
H2B H 0.3373 0.9181 0.1846 0.022 Uiso 1 1 calc R U . . .
C2C C 0.0794(5) 0.7368(4) 0.2664(4) 0.0185(9) Uani 1 1 d . . . . .
H2C H 0.1558 0.8109 0.2813 0.022 Uiso 1 1 calc R U . . .
C2D C 0.3970(5) 0.8287(4) 0.6785(4) 0.0204(10) Uani 1 1 d . . . . .
H2D H 0.4875 0.8519 0.6762 0.024 Uiso 1 1 calc R U . . .
C3 C 0.4801(5) 0.4427(5) 0.1305(4) 0.0207(10) Uani 1 1 d . . . . .
H3 H 0.5202 0.4178 0.0875 0.025 Uiso 1 1 calc R U . . .
C3A C 0.8562(6) 0.9283(5) 0.2710(5) 0.0239(11) Uani 1 1 d . . . . .
H3A H 0.9513 0.9604 0.3323 0.029 Uiso 1 1 calc R U . . .
C3B C 0.1490(5) 0.8630(5) 0.0380(4) 0.0218(10) Uani 1 1 d . . . . .
H3B H 0.1368 0.9343 0.0419 0.026 Uiso 1 1 calc R U . . .
C3C C -0.0549(5) 0.7019(5) 0.1713(4) 0.0203(10) Uani 1 1 d . . . . .
H3C H -0.0701 0.7531 0.1220 0.024 Uiso 1 1 calc R U . . .
C3D C 0.3928(6) 0.8643(5) 0.7772(4) 0.0231(11) Uani 1 1 d . . . . .
H3D H 0.4808 0.9117 0.8424 0.028 Uiso 1 1 calc R U . . .
C4 C 0.4094(5) 0.3638(4) 0.1784(4) 0.0180(9) Uani 1 1 d . . . . .
H4 H 0.4023 0.2856 0.1689 0.022 Uiso 1 1 calc R U . . .
C4A C 0.8380(6) 0.9378(5) 0.1636(5) 0.0230(11) Uani 1 1 d . . . . .
H4A H 0.9200 0.9755 0.1508 0.028 Uiso 1 1 calc R U . . .
C4B C 0.0484(6) 0.7673(5) -0.0516(4) 0.0240(11) Uani 1 1 d . . . . .
H4B H -0.0328 0.7735 -0.1097 0.029 Uiso 1 1 calc R U . . .
C4C C -0.1658(5) 0.5936(5) 0.1485(4) 0.0218(10) Uani 1 1 d . . . . .
H4C H -0.2565 0.5702 0.0834 0.026 Uiso 1 1 calc R U . . .
C4D C 0.2624(6) 0.8318(4) 0.7822(4) 0.0230(11) Uani 1 1 d . . . . .
H4D H 0.2608 0.8550 0.8507 0.028 Uiso 1 1 calc R U . . .
C5 C 0.3493(6) 0.3990(4) 0.2400(4) 0.0187(10) Uani 1 1 d . . . . .
C5A C 0.6979(6) 0.8917(5) 0.0735(5) 0.0242(11) Uani 1 1 d . . . . .
H5A H 0.6844 0.8984 -0.0008 0.029 Uiso 1 1 calc R U . . .
C5B C 0.0647(6) 0.6628(5) -0.0574(4) 0.0246(11) Uani 1 1 d . . . . .
H5B H -0.0057 0.5975 -0.1188 0.030 Uiso 1 1 calc R U . . .
C5C C -0.1443(5) 0.5190(5) 0.2209(4) 0.0214(10) Uani 1 1 d . . . . .
H5C H -0.2203 0.4444 0.2051 0.026 Uiso 1 1 calc R U . . .
C5D C 0.1336(6) 0.7646(5) 0.6859(5) 0.0247(11) Uani 1 1 d . . . . .
H5D H 0.0435 0.7431 0.6883 0.030 Uiso 1 1 calc R U . . .
C6 C 0.2798(5) 0.3835(4) 0.3884(4) 0.0175(9) Uani 1 1 d . . . . .
C6A C 0.5788(6) 0.8362(4) 0.0926(4) 0.0215(10) Uani 1 1 d . . . . .
H6A H 0.4838 0.8053 0.0312 0.026 Uiso 1 1 calc R U . . .
C6B C 0.1850(6) 0.6533(5) 0.0271(4) 0.0216(10) Uani 1 1 d . . . . .
H6B H 0.1965 0.5817 0.0235 0.026 Uiso 1 1 calc R U . . .
C6C C -0.0121(5) 0.5532(4) 0.3162(4) 0.0183(9) Uani 1 1 d . . . . .
H6C H 0.0019 0.5023 0.3661 0.022 Uiso 1 1 calc R U . . .
C6D C 0.1359(5) 0.7287(4) 0.5861(4) 0.0211(10) Uani 1 1 d . . . . .
H6D H 0.0473 0.6836 0.5204 0.025 Uiso 1 1 calc R U . . .
C7 C 0.2724(5) 0.3347(5) 0.4786(4) 0.0213(10) Uani 1 1 d . . . . .
H7 H 0.2704 0.2584 0.4808 0.026 Uiso 1 1 calc R U . . .
C8 C 0.2681(5) 0.3984(4) 0.5654(4) 0.0198(10) Uani 1 1 d . . . . .
H8 H 0.2616 0.3645 0.6262 0.024 Uiso 1 1 calc R U . . .
C9 C 0.2732(5) 0.5111(4) 0.5645(4) 0.0183(9) Uani 1 1 d . . . . .
H9 H 0.2711 0.5537 0.6248 0.022 Uiso 1 1 calc R U . . .
C10 C 0.2813(5) 0.5618(4) 0.4755(4) 0.0154(9) Uani 1 1 d . . . . .
C11 C 0.2820(5) 0.4961(4) 0.3884(4) 0.0158(9) Uani 1 1 d . . . . .
C12 C 0.3532(5) 0.5118(4) 0.2458(4) 0.0158(9) Uani 1 1 d . . . . .
C13 C 0.7396(5) 0.9471(4) 0.6601(5) 0.0217(10) Uani 1 1 d . . . . .
H1 H 0.281(7) 0.260(3) 0.296(5) 0.026 Uiso 1 1 d D U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 P2 2.3402(12) . ?
Au1 P1 2.3772(12) . ?
Au1 S1 2.4921(13) . ?
S1 C13 1.673(6) . ?
P1 C1A 1.819(5) . ?
P1 C1B 1.831(5) . ?
P1 C1 1.837(5) . ?
P2 C1D 1.815(5) . ?
P2 C10 1.827(5) . ?
P2 C1C 1.831(5) . ?
O1 C12 1.385(6) . ?
O1 C11 1.389(5) . ?
N1 C5 1.398(6) . ?
N1 C6 1.399(6) . ?
N1 H1 0.84(2) . ?
N2 C13 1.164(7) . ?
C1 C12 1.387(6) . ?
C1 C2 1.401(7) . ?
C1A C6A 1.397(7) . ?
C1A C2A 1.406(7) . ?
C1B C2B 1.386(7) . ?
C1B C6B 1.391(7) . ?
C1C C2C 1.392(7) . ?
C1C C6C 1.392(6) . ?
C1D C2D 1.398(7) . ?
C1D C6D 1.398(7) . ?
C2 C3 1.396(7) . ?
C2 H2 0.9500 . ?
C2A C3A 1.383(7) . ?
C2A H2A 0.9500 . ?
C2B C3B 1.395(7) . ?
C2B H2B 0.9500 . ?
C2C C3C 1.398(7) . ?
C2C H2C 0.9500 . ?
C2D C3D 1.387(7) . ?
C2D H2D 0.9500 . ?
C3 C4 1.385(7) . ?
C3 H3 0.9500 . ?
C3A C4A 1.378(8) . ?
C3A H3A 0.9500 . ?
C3B C4B 1.385(7) . ?
C3B H3B 0.9500 . ?
C3C C4C 1.382(7) . ?
C3C H3C 0.9500 . ?
C3D C4D 1.382(7) . ?
C3D H3D 0.9500 . ?
C4 C5 1.382(7) . ?
C4 H4 0.9500 . ?
C4A C5A 1.398(8) . ?
C4A H4A 0.9500 . ?
C4B C5B 1.384(8) . ?
C4B H4B 0.9500 . ?
C4C C5C 1.389(7) . ?
C4C H4C 0.9500 . ?
C4D C5D 1.390(8) . ?
C4D H4D 0.9500 . ?
C5 C12 1.394(7) . ?
C5A C6A 1.387(7) . ?
C5A H5A 0.9500 . ?
C5B C6B 1.401(7) . ?
C5B H5B 0.9500 . ?
C5C C6C 1.387(7) . ?
C5C H5C 0.9500 . ?
C5D C6D 1.390(7) . ?
C5D H5D 0.9500 . ?
C6 C7 1.394(7) . ?
C6 C11 1.402(7) . ?
C6A H6A 0.9500 . ?
C6B H6B 0.9500 . ?
C6C H6C 0.9500 . ?
C6D H6D 0.9500 . ?
C7 C8 1.393(7) . ?
C7 H7 0.9500 . ?
C8 C9 1.393(7) . ?
C8 H8 0.9500 . ?
C9 C10 1.393(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.386(7) . ?

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
P2 Au1 P1 120.31(4) . . ?
P2 Au1 S1 127.65(4) . . ?
P1 Au1 S1 111.95(4) . . ?
C13 S1 Au1 101.77(18) . . ?
C1A P1 C1B 104.6(2) . . ?
C1A P1 C1 101.9(2) . . ?
C1B P1 C1 105.3(2) . . ?
C1A P1 Au1 118.75(17) . . ?
C1B P1 Au1 111.57(16) . . ?
C1 P1 Au1 113.46(16) . . ?
C1D P2 C10 103.0(2) . . ?
C1D P2 C1C 106.0(2) . . ?
C10 P2 C1C 100.9(2) . . ?
C1D P2 Au1 123.52(16) . . ?
C10 P2 Au1 109.36(16) . . ?
C1C P2 Au1 111.41(16) . . ?
C12 O1 C11 113.6(4) . . ?
C5 N1 C6 116.9(4) . . ?
C5 N1 H1 120(4) . . ?
C6 N1 H1 116(4) . . ?
C12 C1 C2 117.6(4) . . ?
C12 C1 P1 119.3(4) . . ?
C2 C1 P1 123.1(4) . . ?
C6A C1A C2A 118.7(5) . . ?
C6A C1A P1 123.3(4) . . ?
C2A C1A P1 117.9(4) . . ?
C2B C1B C6B 120.1(4) . . ?
C2B C1B P1 117.1(4) . . ?
C6B C1B P1 122.8(4) . . ?
C2C C1C C6C 120.0(5) . . ?
C2C C1C P2 118.6(4) . . ?
C6C C1C P2 121.3(4) . . ?
C2D C1D C6D 119.1(5) . . ?
C2D C1D P2 118.3(4) . . ?
C6D C1D P2 122.5(4) . . ?
C3 C2 C1 119.9(5) . . ?
C3 C2 H2 120.1 . . ?
C1 C2 H2 120.1 . . ?
C3A C2A C1A 120.0(5) . . ?
C3A C2A H2A 120.0 . . ?
C1A C2A H2A 120.0 . . ?
C1B C2B C3B 120.6(5) . . ?
C1B C2B H2B 119.7 . . ?
C3B C2B H2B 119.7 . . ?
C1C C2C C3C 119.3(5) . . ?
C1C C2C H2C 120.3 . . ?
C3C C2C H2C 120.3 . . ?
C3D C2D C1D 120.0(5) . . ?
C3D C2D H2D 120.0 . . ?
C1D C2D H2D 120.0 . . ?
C4 C3 C2 121.1(5) . . ?
C4 C3 H3 119.5 . . ?
C2 C3 H3 119.5 . . ?
C4A C3A C2A 121.1(5) . . ?
C4A C3A H3A 119.5 . . ?
C2A C3A H3A 119.5 . . ?
C4B C3B C2B 119.1(5) . . ?
C4B C3B H3B 120.5 . . ?
C2B C3B H3B 120.5 . . ?
C4C C3C C2C 120.5(5) . . ?
C4C C3C H3C 119.7 . . ?
C2C C3C H3C 119.7 . . ?
C4D C3D C2D 121.0(5) . . ?
C4D C3D H3D 119.5 . . ?
C2D C3D H3D 119.5 . . ?
C3 C4 C5 119.8(5) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C3A C4A C5A 119.5(5) . . ?
C3A C4A H4A 120.2 . . ?
C5A C4A H4A 120.2 . . ?
C5B C4B C3B 120.8(5) . . ?
C5B C4B H4B 119.6 . . ?
C3B C4B H4B 119.6 . . ?
C3C C4C C5C 119.9(5) . . ?
C3C C4C H4C 120.1 . . ?
C5C C4C H4C 120.1 . . ?
C3D C4D C5D 119.3(5) . . ?
C3D C4D H4D 120.3 . . ?
C5D C4D H4D 120.3 . . ?
C4 C5 N1 124.0(5) . . ?
C4 C5 C12 118.6(5) . . ?
N1 C5 C12 117.4(4) . . ?
C6A C5A C4A 119.9(5) . . ?
C6A C5A H5A 120.0 . . ?
C4A C5A H5A 120.0 . . ?
C4B C5B C6B 120.1(5) . . ?
C4B C5B H5B 120.0 . . ?
C6B C5B H5B 120.0 . . ?
C6C C5C C4C 120.1(5) . . ?
C6C C5C H5C 119.9 . . ?
C4C C5C H5C 119.9 . . ?
C6D C5D C4D 120.4(5) . . ?
C6D C5D H5D 119.8 . . ?
C4D C5D H5D 119.8 . . ?
C7 C6 N1 125.0(4) . . ?
C7 C6 C11 118.2(5) . . ?
N1 C6 C11 116.8(4) . . ?
C5A C6A C1A 120.7(5) . . ?
C5A C6A H6A 119.6 . . ?
C1A C6A H6A 119.6 . . ?
C1B C6B C5B 119.3(5) . . ?
C1B C6B H6B 120.4 . . ?
C5B C6B H6B 120.4 . . ?
C5C C6C C1C 120.2(5) . . ?
C5C C6C H6C 119.9 . . ?
C1C C6C H6C 119.9 . . ?
C5D C6D C1D 120.2(5) . . ?
C5D C6D H6D 119.9 . . ?
C1D C6D H6D 119.9 . . ?
C6 C7 C8 119.7(5) . . ?
C6 C7 H7 120.2 . . ?
C8 C7 H7 120.2 . . ?
C9 C8 C7 121.0(5) . . ?
C9 C8 H8 119.5 . . ?
C7 C8 H8 119.5 . . ?
C10 C9 C8 120.3(5) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C9 C10 C11 118.0(4) . . ?
C9 C10 P2 125.7(4) . . ?
C11 C10 P2 116.1(3) . . ?
O1 C11 C10 118.5(4) . . ?
O1 C11 C6 118.6(4) . . ?
C10 C11 C6 122.8(4) . . ?
O1 C12 C1 119.0(4) . . ?
O1 C12 C5 118.3(4) . . ?
C1 C12 C5 122.7(5) . . ?
N2 C13 S1 178.6(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
C1A P1 C1 C12 162.4(4) . . . . ?
C1B P1 C1 C12 -88.7(4) . . . . ?
Au1 P1 C1 C12 33.6(4) . . . . ?
C1A P1 C1 C2 -14.7(5) . . . . ?
C1B P1 C1 C2 94.2(4) . . . . ?
Au1 P1 C1 C2 -143.5(4) . . . . ?
C1B P1 C1A C6A -24.6(5) . . . . ?
C1 P1 C1A C6A 84.8(5) . . . . ?
Au1 P1 C1A C6A -149.8(4) . . . . ?
C1B P1 C1A C2A 158.3(4) . . . . ?
C1 P1 C1A C2A -92.3(4) . . . . ?
Au1 P1 C1A C2A 33.1(5) . . . . ?
C1A P1 C1B C2B -78.2(4) . . . . ?
C1 P1 C1B C2B 174.8(4) . . . . ?
Au1 P1 C1B C2B 51.3(4) . . . . ?
C1A P1 C1B C6B 103.9(4) . . . . ?
C1 P1 C1B C6B -3.1(5) . . . . ?
Au1 P1 C1B C6B -126.5(4) . . . . ?
C1D P2 C1C C2C 102.3(4) . . . . ?
C10 P2 C1C C2C -150.6(4) . . . . ?
Au1 P2 C1C C2C -34.6(4) . . . . ?
C1D P2 C1C C6C -81.9(4) . . . . ?
C10 P2 C1C C6C 25.2(5) . . . . ?
Au1 P2 C1C C6C 141.2(4) . . . . ?
C10 P2 C1D C2D 92.9(4) . . . . ?
C1C P2 C1D C2D -161.5(4) . . . . ?
Au1 P2 C1D C2D -31.3(5) . . . . ?
C10 P2 C1D C6D -84.6(4) . . . . ?
C1C P2 C1D C6D 21.0(5) . . . . ?
Au1 P2 C1D C6D 151.2(4) . . . . ?
C12 C1 C2 C3 -0.1(7) . . . . ?
P1 C1 C2 C3 177.0(4) . . . . ?
C6A C1A C2A C3A -0.6(8) . . . . ?
P1 C1A C2A C3A 176.6(4) . . . . ?
C6B C1B C2B C3B -1.8(7) . . . . ?
P1 C1B C2B C3B -179.7(4) . . . . ?
C6C C1C C2C C3C 0.4(7) . . . . ?
P2 C1C C2C C3C 176.2(4) . . . . ?
C6D C1D C2D C3D 2.1(7) . . . . ?
P2 C1D C2D C3D -175.5(4) . . . . ?
C1 C2 C3 C4 -2.8(7) . . . . ?
C1A C2A C3A C4A -0.1(8) . . . . ?
C1B C2B C3B C4B 0.8(7) . . . . ?
C1C C2C C3C C4C -0.9(8) . . . . ?
C1D C2D C3D C4D -0.2(8) . . . . ?
C2 C3 C4 C5 0.7(7) . . . . ?
C2A C3A C4A C5A 0.6(8) . . . . ?
C2B C3B C4B C5B 0.5(8) . . . . ?
C2C C3C C4C C5C 0.5(8) . . . . ?
C2D C3D C4D C5D -1.5(8) . . . . ?
C3 C4 C5 N1 -177.3(5) . . . . ?
C3 C4 C5 C12 4.3(7) . . . . ?
C6 N1 C5 C4 154.3(5) . . . . ?
C6 N1 C5 C12 -27.3(6) . . . . ?
C3A C4A C5A C6A -0.4(8) . . . . ?
C3B C4B C5B C6B -0.8(8) . . . . ?
C3C C4C C5C C6C 0.3(8) . . . . ?
C3D C4D C5D C6D 1.1(8) . . . . ?
C5 N1 C6 C7 -153.1(5) . . . . ?
C5 N1 C6 C11 28.7(6) . . . . ?
C4A C5A C6A C1A -0.3(8) . . . . ?
C2A C1A C6A C5A 0.8(8) . . . . ?
P1 C1A C6A C5A -176.2(4) . . . . ?
C2B C1B C6B C5B 1.5(7) . . . . ?
P1 C1B C6B C5B 179.3(4) . . . . ?
C4B C5B C6B C1B -0.2(8) . . . . ?
C4C C5C C6C C1C -0.7(8) . . . . ?
C2C C1C C6C C5C 0.3(7) . . . . ?
P2 C1C C6C C5C -175.4(4) . . . . ?
C4D C5D C6D C1D 0.8(8) . . . . ?
C2D C1D C6D C5D -2.4(7) . . . . ?
P2 C1D C6D C5D 175.1(4) . . . . ?
N1 C6 C7 C8 -178.4(5) . . . . ?
C11 C6 C7 C8 -0.3(7) . . . . ?
C6 C7 C8 C9 -1.0(7) . . . . ?
C7 C8 C9 C10 0.6(7) . . . . ?
C8 C9 C10 C11 0.9(7) . . . . ?
C8 C9 C10 P2 176.9(4) . . . . ?
C1D P2 C10 C9 0.6(5) . . . . ?
C1C P2 C10 C9 -108.9(4) . . . . ?
Au1 P2 C10 C9 133.6(4) . . . . ?
C1D P2 C10 C11 176.6(4) . . . . ?
C1C P2 C10 C11 67.1(4) . . . . ?
Au1 P2 C10 C11 -50.4(4) . . . . ?
C12 O1 C11 C10 146.0(4) . . . . ?
C12 O1 C11 C6 -37.9(6) . . . . ?
C9 C10 C11 O1 173.7(4) . . . . ?
P2 C10 C11 O1 -2.6(6) . . . . ?
C9 C10 C11 C6 -2.2(7) . . . . ?
P2 C10 C11 C6 -178.6(4) . . . . ?
C7 C6 C11 O1 -174.1(4) . . . . ?
N1 C6 C11 O1 4.2(6) . . . . ?
C7 C6 C11 C10 1.9(7) . . . . ?
N1 C6 C11 C10 -179.8(4) . . . . ?
C11 O1 C12 C1 -141.9(4) . . . . ?
C11 O1 C12 C5 39.5(6) . . . . ?
C2 C1 C12 O1 -173.3(4) . . . . ?
P1 C1 C12 O1 9.5(6) . . . . ?
C2 C1 C12 C5 5.3(7) . . . . ?
P1 C1 C12 C5 -171.9(4) . . . . ?
C4 C5 C12 O1 171.1(4) . . . . ?
N1 C5 C12 O1 -7.4(6) . . . . ?
C4 C5 C12 C1 -7.4(7) . . . . ?
N1 C5 C12 C1 174.0(4) . . . . ?

_refine_diff_density_max         2.365
_refine_diff_density_min         -3.546
_refine_diff_density_rms         0.248
