# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_SINP_2
_database_code_depnum_ccdc_archive 'CCDC 1437075'
_audit_update_record             
;
2015-11-13 deposited with the CCDC.
2016-02-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C39 H50 N3 P Si'
_chemical_formula_sum            'C39 H50 N3 P Si'
_chemical_formula_weight         619.88

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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   9.8573(12)
_cell_length_b                   10.9843(13)
_cell_length_c                   19.208(2)
_cell_angle_alpha                93.409(3)
_cell_angle_beta                 98.295(3)
_cell_angle_gamma                115.316(3)
_cell_volume                     1843.2(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9327
_cell_measurement_theta_min      2.327
_cell_measurement_theta_max      22.99

_exptl_crystal_description       block
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.117
_exptl_crystal_F_000             668
_exptl_transmission_factor_min   0.7041
_exptl_transmission_factor_max   0.7457
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    0.137
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   
'Sheldrick,G.M.(2012) SADABS.Bruker AXS Inc.,Madison,Wisconsin,USA.'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker SMART X2S benchtop diffractometer'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            43905
_diffrn_reflns_av_unetI/netI     0.0673
_diffrn_reflns_av_R_equivalents  0.0868
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.327
_diffrn_reflns_theta_max         25.246
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6666
_reflns_number_gt                4127
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0691P)²+0.8487P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6666
_refine_ls_number_parameters     407
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1082
_refine_ls_R_factor_gt           0.0541
_refine_ls_wR_factor_ref         0.1462
_refine_ls_wR_factor_gt          0.1205
_refine_ls_goodness_of_fit_ref   0.950
_refine_ls_restrained_S_all      0.950
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
P1 P 0.84861(8) 0.80896(7) 0.18616(4) 0.0441(2) Uani 1 1 d . . . . .
Si1 Si 0.76864(8) 0.79044(8) 0.33499(4) 0.0419(2) Uani 1 1 d . . . . .
N3 N 0.7142(2) 0.7710(2) 0.24015(10) 0.0376(5) Uani 1 1 d . . . . .
N1 N 0.8671(2) 0.6758(2) 0.35373(11) 0.0449(6) Uani 1 1 d . . . . .
N2 N 0.9847(2) 0.8902(2) 0.35106(11) 0.0413(5) Uani 1 1 d . . . . .
C1 C 0.7354(8) 1.0151(6) -0.0006(2) 0.1134(19) Uani 1 1 d . . . . .
H1 H 0.7162 1.0598 -0.0390 0.136 Uiso 1 1 calc R U . . .
C2 C 0.8745(7) 1.0702(5) 0.0424(3) 0.1058(16) Uani 1 1 d . . . . .
H45 H 0.9532 1.1523 0.0335 0.127 Uiso 1 1 calc R U . . .
C3 C 0.9026(5) 1.0070(4) 0.0997(2) 0.0777(10) Uani 1 1 d . . . . .
H46 H 0.9999 1.0472 0.1302 0.093 Uiso 1 1 calc R U . . .
C4 C 0.7897(4) 0.8856(3) 0.11253(15) 0.0536(8) Uani 1 1 d . . . . .
C5 C 1.0042(3) 0.7843(3) 0.37061(13) 0.0408(6) Uani 1 1 d . . . . .
C6 C 1.1502(3) 0.7808(3) 0.40086(13) 0.0426(7) Uani 1 1 d . . . . .
C7 C 1.2194(3) 0.8193(3) 0.47173(14) 0.0523(7) Uani 1 1 d . . . . .
H7 H 1.1732 0.8493 0.5046 0.063 Uiso 1 1 calc R U . . .
C8 C 1.3563(4) 0.8141(3) 0.49455(17) 0.0640(9) Uani 1 1 d . . . . .
H6 H 1.4036 0.8399 0.5433 0.077 Uiso 1 1 calc R U . . .
C9 C 1.4239(4) 0.7717(3) 0.4471(2) 0.0695(9) Uani 1 1 d . . . . .
H2 H 1.5183 0.7689 0.4629 0.083 Uiso 1 1 calc R U . . .
C10 C 0.8456(5) 0.4242(4) 0.0757(2) 0.0886(12) Uani 1 1 d . . . . .
H3 H 0.8490 0.3458 0.0539 0.106 Uiso 1 1 calc R U . . .
C11 C 0.8595(4) 0.4463(3) 0.1478(2) 0.0730(10) Uani 1 1 d . . . . .
H50 H 0.8760 0.3848 0.1767 0.088 Uiso 1 1 calc R U . . .
C12 C 0.8496(3) 0.5582(3) 0.17855(16) 0.0540(8) Uani 1 1 d . . . . .
H49 H 0.8590 0.5725 0.2286 0.065 Uiso 1 1 calc R U . . .
C13 C 0.8264(3) 0.6505(3) 0.13805(14) 0.0460(7) Uani 1 1 d . . . . .
C14 C 1.3557(4) 0.7334(3) 0.37678(19) 0.0648(9) Uani 1 1 d . . . . .
H4 H 1.4024 0.7036 0.3440 0.078 Uiso 1 1 calc R U . . .
C15 C 1.2202(3) 0.7381(3) 0.35396(15) 0.0532(8) Uani 1 1 d . . . . .
H5 H 1.1735 0.7117 0.3052 0.064 Uiso 1 1 calc R U . . .
C16 C 1.1016(3) 1.0337(3) 0.35822(16) 0.0519(7) Uani 1 1 d . . . . .
C17 C 1.0252(4) 1.1129(3) 0.32224(19) 0.0673(9) Uani 1 1 d . . . . .
H8 H 0.9378 1.1037 0.3439 0.101 Uiso 1 1 calc R U . . .
H10 H 0.9898 1.0774 0.2716 0.101 Uiso 1 1 calc R U . . .
H9 H 1.0985 1.2091 0.3278 0.101 Uiso 1 1 calc R U . . .
C18 C 1.1586(5) 1.0932(3) 0.43665(19) 0.0888(12) Uani 1 1 d . . . . .
H11 H 1.2134 1.0461 0.4603 0.133 Uiso 1 1 calc R U . . .
H12 H 1.0714 1.0812 0.4591 0.133 Uiso 1 1 calc R U . . .
H13 H 1.2277 1.1902 0.4408 0.133 Uiso 1 1 calc R U . . .
C19 C 1.2337(4) 1.0452(3) 0.3226(2) 0.0845(12) Uani 1 1 d . . . . .
H15 H 1.1940 0.9996 0.2735 0.127 Uiso 1 1 calc R U . . .
H16 H 1.2903 1.0020 0.3486 0.127 Uiso 1 1 calc R U . . .
H14 H 1.3021 1.1413 0.3225 0.127 Uiso 1 1 calc R U . . .
C20 C 0.8197(3) 0.5494(3) 0.38833(15) 0.0525(8) Uani 1 1 d . . . . .
C21 C 0.9140(4) 0.4722(3) 0.3770(2) 0.0821(11) Uani 1 1 d . . . . .
H17 H 1.0186 0.5247 0.4035 0.123 Uiso 1 1 calc R U . . .
H18 H 0.9159 0.4588 0.3263 0.123 Uiso 1 1 calc R U . . .
H19 H 0.8679 0.3836 0.3938 0.123 Uiso 1 1 calc R U . . .
C22 C 0.6571(4) 0.4582(3) 0.3530(2) 0.0890(13) Uani 1 1 d . . . . .
H21 H 0.6530 0.4343 0.3025 0.133 Uiso 1 1 calc R U . . .
H22 H 0.5938 0.5057 0.3579 0.133 Uiso 1 1 calc R U . . .
H20 H 0.6187 0.3752 0.3756 0.133 Uiso 1 1 calc R U . . .
C23 C 0.8301(4) 0.5824(3) 0.46670(17) 0.0784(11) Uani 1 1 d . . . . .
H23 H 0.7695 0.6317 0.4740 0.118 Uiso 1 1 calc R U . . .
H25 H 0.9370 0.6391 0.4892 0.118 Uiso 1 1 calc R U . . .
H24 H 0.7904 0.4980 0.4879 0.118 Uiso 1 1 calc R U . . .
C24 C 0.5572(3) 0.7477(3) 0.21338(12) 0.0385(6) Uani 1 1 d . . . . .
C25 C 0.4402(3) 0.6156(3) 0.18936(13) 0.0427(7) Uani 1 1 d . . . . .
C26 C 0.2944(3) 0.6005(3) 0.16357(15) 0.0544(8) Uani 1 1 d . . . . .
H26 H 0.2151 0.5118 0.1469 0.065 Uiso 1 1 calc R U . . .
C27 C 0.2605(4) 0.7084(4) 0.16129(16) 0.0610(9) Uani 1 1 d . . . . .
H27 H 0.1596 0.6949 0.1429 0.073 Uiso 1 1 calc R U . . .
C28 C 0.3731(4) 0.8357(3) 0.18570(15) 0.0559(8) Uani 1 1 d . . . . .
H28 H 0.3489 0.9106 0.1850 0.067 Uiso 1 1 calc R U . . .
C29 C 0.5228(3) 0.8592(3) 0.21169(14) 0.0443(7) Uani 1 1 d . . . . .
C30 C 0.6387(3) 1.0041(3) 0.23857(16) 0.0558(8) Uani 1 1 d . . . . .
H35 H 0.7422 1.0062 0.2439 0.067 Uiso 1 1 calc R U . . .
C31 C 0.6210(4) 1.0501(3) 0.31153(18) 0.0700(10) Uani 1 1 d . . . . .
H29 H 0.6270 0.9867 0.3443 0.105 Uiso 1 1 calc R U . . .
H31 H 0.5217 1.0519 0.3080 0.105 Uiso 1 1 calc R U . . .
H30 H 0.7028 1.1414 0.3293 0.105 Uiso 1 1 calc R U . . .
C32 C 0.6345(5) 1.1038(4) 0.1870(2) 0.0957(13) Uani 1 1 d . . . . .
H34 H 0.5383 1.1111 0.1841 0.144 Uiso 1 1 calc R U . . .
H33 H 0.6421 1.0709 0.1398 0.144 Uiso 1 1 calc R U . . .
H32 H 0.7205 1.1933 0.2039 0.144 Uiso 1 1 calc R U . . .
C33 C 0.4632(3) 0.4883(3) 0.18965(16) 0.0557(8) Uani 1 1 d . . . . .
H42 H 0.5701 0.5143 0.2144 0.067 Uiso 1 1 calc R U . . .
C34 C 0.4427(4) 0.4209(4) 0.11430(19) 0.0853(12) Uani 1 1 d . . . . .
H37 H 0.5070 0.4882 0.0872 0.128 Uiso 1 1 calc R U . . .
H36 H 0.3354 0.3846 0.0909 0.128 Uiso 1 1 calc R U . . .
H38 H 0.4726 0.3466 0.1165 0.128 Uiso 1 1 calc R U . . .
C35 C 0.3539(4) 0.3855(4) 0.2302(2) 0.0899(13) Uani 1 1 d . . . . .
H41 H 0.2488 0.3513 0.2041 0.135 Uiso 1 1 calc R U . . .
H40 H 0.3626 0.4299 0.2775 0.135 Uiso 1 1 calc R U . . .
H39 H 0.3805 0.3096 0.2348 0.135 Uiso 1 1 calc R U . . .
C36 C 0.6228(6) 0.8959(5) 0.01085(19) 0.0904(13) Uani 1 1 d . . . . .
H44 H 0.5258 0.8574 -0.0199 0.108 Uiso 1 1 calc R U . . .
C37 C 0.6487(4) 0.8307(4) 0.06684(16) 0.0663(9) Uani 1 1 d . . . . .
H43 H 0.5695 0.7475 0.0742 0.080 Uiso 1 1 calc R U . . .
C38 C 0.8173(4) 0.6276(4) 0.06615(16) 0.0736(10) Uani 1 1 d . . . . .
H47 H 0.8041 0.6901 0.0370 0.088 Uiso 1 1 calc R U . . .
C39 C 0.8268(5) 0.5156(5) 0.0355(2) 0.0967(13) Uani 1 1 d . . . . .
H48 H 0.8202 0.5020 -0.0144 0.116 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
P1 N3 1.726(2) . ?
P1 C13 1.832(3) . ?
P1 C4 1.835(3) . ?
Si1 N3 1.796(2) . ?
Si1 N2 1.899(2) . ?
Si1 N1 1.912(2) . ?
Si1 C5 2.355(3) . ?
N3 C24 1.463(3) . ?
N1 C5 1.342(3) . ?
N1 C20 1.494(3) . ?
N2 C5 1.325(3) . ?
N2 C16 1.485(3) . ?
C1 C2 1.355(7) . ?
C1 C36 1.363(6) . ?
C1 H1 0.9500 . ?
C2 C3 1.391(5) . ?
C2 H45 0.9500 . ?
C3 C4 1.388(4) . ?
C3 H46 0.9500 . ?
C4 C37 1.391(4) . ?
C5 C6 1.489(4) . ?
C6 C15 1.383(4) . ?
C6 C7 1.384(4) . ?
C7 C8 1.384(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.372(5) . ?
C8 H6 0.9500 . ?
C9 C14 1.371(5) . ?
C9 H2 0.9500 . ?
C10 C39 1.359(5) . ?
C10 C11 1.370(5) . ?
C10 H3 0.9500 . ?
C11 C12 1.379(4) . ?
C11 H50 0.9500 . ?
C12 C13 1.388(4) . ?
C12 H49 0.9500 . ?
C13 C38 1.372(4) . ?
C14 C15 1.368(4) . ?
C14 H4 0.9500 . ?
C15 H5 0.9500 . ?
C16 C17 1.511(4) . ?
C16 C19 1.519(4) . ?
C16 C18 1.529(4) . ?
C17 H8 0.9800 . ?
C17 H10 0.9800 . ?
C17 H9 0.9800 . ?
C18 H11 0.9800 . ?
C18 H12 0.9800 . ?
C18 H13 0.9800 . ?
C19 H15 0.9800 . ?
C19 H16 0.9800 . ?
C19 H14 0.9800 . ?
C20 C22 1.505(4) . ?
C20 C23 1.506(4) . ?
C20 C21 1.530(5) . ?
C21 H17 0.9800 . ?
C21 H18 0.9800 . ?
C21 H19 0.9800 . ?
C22 H21 0.9800 . ?
C22 H22 0.9800 . ?
C22 H20 0.9800 . ?
C23 H23 0.9800 . ?
C23 H25 0.9800 . ?
C23 H24 0.9800 . ?
C24 C29 1.405(4) . ?
C24 C25 1.408(4) . ?
C25 C26 1.386(4) . ?
C25 C33 1.509(4) . ?
C26 C27 1.363(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.361(4) . ?
C27 H27 0.9500 . ?
C28 C29 1.393(4) . ?
C28 H28 0.9500 . ?
C29 C30 1.510(4) . ?
C30 C31 1.520(4) . ?
C30 C32 1.529(4) . ?
C30 H35 1.0000 . ?
C31 H29 0.9800 . ?
C31 H31 0.9800 . ?
C31 H30 0.9800 . ?
C32 H34 0.9800 . ?
C32 H33 0.9800 . ?
C32 H32 0.9800 . ?
C33 C35 1.532(4) . ?
C33 C34 1.531(4) . ?
C33 H42 1.0000 . ?
C34 H37 0.9800 . ?
C34 H36 0.9800 . ?
C34 H38 0.9800 . ?
C35 H41 0.9800 . ?
C35 H40 0.9800 . ?
C35 H39 0.9800 . ?
C36 C37 1.380(5) . ?
C36 H44 0.9500 . ?
C37 H43 0.9500 . ?
C38 C39 1.378(5) . ?
C38 H47 0.9500 . ?
C39 H48 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N3 P1 C13 108.94(12) . . ?
N3 P1 C4 107.37(12) . . ?
C13 P1 C4 100.38(13) . . ?
N3 Si1 N2 103.34(9) . . ?
N3 Si1 N1 106.16(10) . . ?
N2 Si1 N1 68.41(9) . . ?
N3 Si1 C5 112.46(9) . . ?
N2 Si1 C5 34.20(9) . . ?
N1 Si1 C5 34.75(9) . . ?
C24 N3 P1 122.02(15) . . ?
C24 N3 Si1 115.72(15) . . ?
P1 N3 Si1 121.20(12) . . ?
C5 N1 C20 125.3(2) . . ?
C5 N1 Si1 90.98(16) . . ?
C20 N1 Si1 130.88(19) . . ?
C5 N2 C16 127.9(2) . . ?
C5 N2 Si1 92.13(16) . . ?
C16 N2 Si1 138.65(18) . . ?
C2 C1 C36 120.3(4) . . ?
C2 C1 H1 119.8 . . ?
C36 C1 H1 119.8 . . ?
C1 C2 C3 120.2(4) . . ?
C1 C2 H45 119.9 . . ?
C3 C2 H45 119.9 . . ?
C4 C3 C2 120.5(4) . . ?
C4 C3 H46 119.7 . . ?
C2 C3 H46 119.7 . . ?
C3 C4 C37 117.9(3) . . ?
C3 C4 P1 115.2(3) . . ?
C37 C4 P1 126.8(2) . . ?
N2 C5 N1 106.9(2) . . ?
N2 C5 C6 127.7(2) . . ?
N1 C5 C6 125.3(2) . . ?
N2 C5 Si1 53.67(13) . . ?
N1 C5 Si1 54.27(13) . . ?
C6 C5 Si1 174.01(18) . . ?
C15 C6 C7 119.0(3) . . ?
C15 C6 C5 116.8(2) . . ?
C7 C6 C5 124.1(3) . . ?
C8 C7 C6 119.8(3) . . ?
C8 C7 H7 120.1 . . ?
C6 C7 H7 120.1 . . ?
C9 C8 C7 120.2(3) . . ?
C9 C8 H6 119.9 . . ?
C7 C8 H6 119.9 . . ?
C14 C9 C8 120.2(3) . . ?
C14 C9 H2 119.9 . . ?
C8 C9 H2 119.9 . . ?
C39 C10 C11 119.3(3) . . ?
C39 C10 H3 120.4 . . ?
C11 C10 H3 120.4 . . ?
C10 C11 C12 119.8(3) . . ?
C10 C11 H50 120.1 . . ?
C12 C11 H50 120.1 . . ?
C11 C12 C13 121.6(3) . . ?
C11 C12 H49 119.2 . . ?
C13 C12 H49 119.2 . . ?
C38 C13 C12 117.2(3) . . ?
C38 C13 P1 124.7(2) . . ?
C12 C13 P1 116.9(2) . . ?
C15 C14 C9 119.8(3) . . ?
C15 C14 H4 120.1 . . ?
C9 C14 H4 120.1 . . ?
C14 C15 C6 121.0(3) . . ?
C14 C15 H5 119.5 . . ?
C6 C15 H5 119.5 . . ?
N2 C16 C17 107.5(2) . . ?
N2 C16 C19 111.2(2) . . ?
C17 C16 C19 108.9(3) . . ?
N2 C16 C18 110.0(2) . . ?
C17 C16 C18 108.3(3) . . ?
C19 C16 C18 110.8(3) . . ?
C16 C17 H8 109.5 . . ?
C16 C17 H10 109.5 . . ?
H8 C17 H10 109.5 . . ?
C16 C17 H9 109.5 . . ?
H8 C17 H9 109.5 . . ?
H10 C17 H9 109.5 . . ?
C16 C18 H11 109.5 . . ?
C16 C18 H12 109.5 . . ?
H11 C18 H12 109.5 . . ?
C16 C18 H13 109.5 . . ?
H11 C18 H13 109.5 . . ?
H12 C18 H13 109.5 . . ?
C16 C19 H15 109.5 . . ?
C16 C19 H16 109.5 . . ?
H15 C19 H16 109.5 . . ?
C16 C19 H14 109.5 . . ?
H15 C19 H14 109.5 . . ?
H16 C19 H14 109.5 . . ?
N1 C20 C22 106.2(2) . . ?
N1 C20 C23 110.4(2) . . ?
C22 C20 C23 110.5(3) . . ?
N1 C20 C21 113.0(3) . . ?
C22 C20 C21 107.2(3) . . ?
C23 C20 C21 109.4(3) . . ?
C20 C21 H17 109.5 . . ?
C20 C21 H18 109.5 . . ?
H17 C21 H18 109.5 . . ?
C20 C21 H19 109.5 . . ?
H17 C21 H19 109.5 . . ?
H18 C21 H19 109.5 . . ?
C20 C22 H21 109.5 . . ?
C20 C22 H22 109.5 . . ?
H21 C22 H22 109.5 . . ?
C20 C22 H20 109.5 . . ?
H21 C22 H20 109.5 . . ?
H22 C22 H20 109.5 . . ?
C20 C23 H23 109.5 . . ?
C20 C23 H25 109.5 . . ?
H23 C23 H25 109.5 . . ?
C20 C23 H24 109.5 . . ?
H23 C23 H24 109.5 . . ?
H25 C23 H24 109.5 . . ?
C29 C24 C25 119.5(2) . . ?
C29 C24 N3 119.3(2) . . ?
C25 C24 N3 121.2(2) . . ?
C26 C25 C24 118.4(3) . . ?
C26 C25 C33 117.4(3) . . ?
C24 C25 C33 124.2(2) . . ?
C27 C26 C25 122.4(3) . . ?
C27 C26 H26 118.8 . . ?
C25 C26 H26 118.8 . . ?
C28 C27 C26 119.2(3) . . ?
C28 C27 H27 120.4 . . ?
C26 C27 H27 120.4 . . ?
C27 C28 C29 121.8(3) . . ?
C27 C28 H28 119.1 . . ?
C29 C28 H28 119.1 . . ?
C28 C29 C24 118.7(3) . . ?
C28 C29 C30 117.7(3) . . ?
C24 C29 C30 123.6(2) . . ?
C29 C30 C31 111.3(2) . . ?
C29 C30 C32 113.0(3) . . ?
C31 C30 C32 110.5(3) . . ?
C29 C30 H35 107.2 . . ?
C31 C30 H35 107.2 . . ?
C32 C30 H35 107.2 . . ?
C30 C31 H29 109.5 . . ?
C30 C31 H31 109.5 . . ?
H29 C31 H31 109.5 . . ?
C30 C31 H30 109.5 . . ?
H29 C31 H30 109.5 . . ?
H31 C31 H30 109.5 . . ?
C30 C32 H34 109.5 . . ?
C30 C32 H33 109.5 . . ?
H34 C32 H33 109.5 . . ?
C30 C32 H32 109.5 . . ?
H34 C32 H32 109.5 . . ?
H33 C32 H32 109.5 . . ?
C25 C33 C35 111.4(3) . . ?
C25 C33 C34 111.8(2) . . ?
C35 C33 C34 109.3(3) . . ?
C25 C33 H42 108.0 . . ?
C35 C33 H42 108.0 . . ?
C34 C33 H42 108.0 . . ?
C33 C34 H37 109.5 . . ?
C33 C34 H36 109.5 . . ?
H37 C34 H36 109.5 . . ?
C33 C34 H38 109.5 . . ?
H37 C34 H38 109.5 . . ?
H36 C34 H38 109.5 . . ?
C33 C35 H41 109.5 . . ?
C33 C35 H40 109.5 . . ?
H41 C35 H40 109.5 . . ?
C33 C35 H39 109.5 . . ?
H41 C35 H39 109.5 . . ?
H40 C35 H39 109.5 . . ?
C1 C36 C37 120.4(4) . . ?
C1 C36 H44 119.8 . . ?
C37 C36 H44 119.8 . . ?
C36 C37 C4 120.6(4) . . ?
C36 C37 H43 119.7 . . ?
C4 C37 H43 119.7 . . ?
C13 C38 C39 121.1(3) . . ?
C13 C38 H47 119.4 . . ?
C39 C38 H47 119.4 . . ?
C10 C39 C38 121.0(4) . . ?
C10 C39 H48 119.5 . . ?
C38 C39 H48 119.5 . . ?

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
C13 P1 N3 C24 -83.2(2) . . . . ?
C4 P1 N3 C24 24.7(2) . . . . ?
C13 P1 N3 Si1 109.12(15) . . . . ?
C4 P1 N3 Si1 -143.00(15) . . . . ?
N2 Si1 N3 C24 -156.49(17) . . . . ?
N1 Si1 N3 C24 132.47(17) . . . . ?
C5 Si1 N3 C24 168.77(16) . . . . ?
N2 Si1 N3 P1 11.94(16) . . . . ?
N1 Si1 N3 P1 -59.10(15) . . . . ?
C5 Si1 N3 P1 -22.80(17) . . . . ?
N3 Si1 N2 C5 -110.46(16) . . . . ?
N1 Si1 N2 C5 -8.12(14) . . . . ?
N3 Si1 N2 C16 83.0(3) . . . . ?
N1 Si1 N2 C16 -174.7(3) . . . . ?
C5 Si1 N2 C16 -166.5(3) . . . . ?
C36 C1 C2 C3 -1.4(7) . . . . ?
C1 C2 C3 C4 1.3(6) . . . . ?
C2 C3 C4 C37 -0.4(5) . . . . ?
C2 C3 C4 P1 175.9(3) . . . . ?
N3 P1 C4 C3 130.0(2) . . . . ?
C13 P1 C4 C3 -116.2(2) . . . . ?
N3 P1 C4 C37 -54.0(3) . . . . ?
C13 P1 C4 C37 59.7(3) . . . . ?
C16 N2 C5 N1 -180.0(2) . . . . ?
Si1 N2 C5 N1 11.3(2) . . . . ?
C16 N2 C5 C6 -3.9(4) . . . . ?
Si1 N2 C5 C6 -172.7(2) . . . . ?
C16 N2 C5 Si1 168.8(3) . . . . ?
C20 N1 C5 N2 -155.7(2) . . . . ?
Si1 N1 C5 N2 -11.2(2) . . . . ?
C20 N1 C5 C6 28.2(4) . . . . ?
Si1 N1 C5 C6 172.7(2) . . . . ?
C20 N1 C5 Si1 -144.5(3) . . . . ?
N2 C5 C6 C15 -96.7(3) . . . . ?
N1 C5 C6 C15 78.6(3) . . . . ?
N2 C5 C6 C7 82.1(4) . . . . ?
N1 C5 C6 C7 -102.5(3) . . . . ?
C15 C6 C7 C8 -0.3(4) . . . . ?
C5 C6 C7 C8 -179.2(3) . . . . ?
C6 C7 C8 C9 0.5(5) . . . . ?
C7 C8 C9 C14 -0.5(5) . . . . ?
C39 C10 C11 C12 2.0(6) . . . . ?
C10 C11 C12 C13 -0.3(5) . . . . ?
C11 C12 C13 C38 -1.5(4) . . . . ?
C11 C12 C13 P1 -169.7(2) . . . . ?
N3 P1 C13 C38 130.6(3) . . . . ?
C4 P1 C13 C38 18.0(3) . . . . ?
N3 P1 C13 C12 -62.2(2) . . . . ?
C4 P1 C13 C12 -174.8(2) . . . . ?
C8 C9 C14 C15 0.3(5) . . . . ?
C9 C14 C15 C6 -0.2(5) . . . . ?
C7 C6 C15 C14 0.2(4) . . . . ?
C5 C6 C15 C14 179.1(3) . . . . ?
C5 N2 C16 C17 175.1(3) . . . . ?
Si1 N2 C16 C17 -22.1(4) . . . . ?
C5 N2 C16 C19 55.9(4) . . . . ?
Si1 N2 C16 C19 -141.3(3) . . . . ?
C5 N2 C16 C18 -67.2(4) . . . . ?
Si1 N2 C16 C18 95.7(3) . . . . ?
C5 N1 C20 C22 179.1(3) . . . . ?
Si1 N1 C20 C22 49.3(3) . . . . ?
C5 N1 C20 C23 59.2(4) . . . . ?
Si1 N1 C20 C23 -70.5(3) . . . . ?
C5 N1 C20 C21 -63.7(4) . . . . ?
Si1 N1 C20 C21 166.6(2) . . . . ?
P1 N3 C24 C29 -86.1(3) . . . . ?
Si1 N3 C24 C29 82.3(2) . . . . ?
P1 N3 C24 C25 94.0(3) . . . . ?
Si1 N3 C24 C25 -97.7(2) . . . . ?
C29 C24 C25 C26 1.1(4) . . . . ?
N3 C24 C25 C26 -179.0(2) . . . . ?
C29 C24 C25 C33 -179.1(2) . . . . ?
N3 C24 C25 C33 0.9(4) . . . . ?
C24 C25 C26 C27 -0.6(4) . . . . ?
C33 C25 C26 C27 179.6(3) . . . . ?
C25 C26 C27 C28 -0.6(5) . . . . ?
C26 C27 C28 C29 1.3(4) . . . . ?
C27 C28 C29 C24 -0.8(4) . . . . ?
C27 C28 C29 C30 -179.1(3) . . . . ?
C25 C24 C29 C28 -0.4(4) . . . . ?
N3 C24 C29 C28 179.6(2) . . . . ?
C25 C24 C29 C30 177.8(2) . . . . ?
N3 C24 C29 C30 -2.2(4) . . . . ?
C28 C29 C30 C31 76.5(3) . . . . ?
C24 C29 C30 C31 -101.7(3) . . . . ?
C28 C29 C30 C32 -48.5(4) . . . . ?
C24 C29 C30 C32 133.3(3) . . . . ?
C26 C25 C33 C35 -55.4(3) . . . . ?
C24 C25 C33 C35 124.7(3) . . . . ?
C26 C25 C33 C34 67.3(3) . . . . ?
C24 C25 C33 C34 -112.5(3) . . . . ?
C2 C1 C36 C37 0.7(7) . . . . ?
C1 C36 C37 C4 0.2(5) . . . . ?
C3 C4 C37 C36 -0.3(5) . . . . ?
P1 C4 C37 C36 -176.1(2) . . . . ?
C12 C13 C38 C39 1.6(5) . . . . ?
P1 C13 C38 C39 168.8(3) . . . . ?
C11 C10 C39 C38 -1.9(7) . . . . ?
C13 C38 C39 C10 0.0(6) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C12 H49 N1 0.95 2.57 3.485(4) 161.5 .
C12 H49 N1 0.95 2.57 3.485(4) 161.5 .
C12 H49 N1 0.95 2.57 3.485(4) 161.5 .

_refine_diff_density_max         0.343
_refine_diff_density_min         -0.204
_refine_diff_density_rms         0.039

_shelxl_version_number           2014/6

####################################################################### 
# 
# 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_SINP_3
_database_code_depnum_ccdc_archive 'CCDC 1437076'
_audit_update_record             
;
2015-11-13 deposited with the CCDC.
2016-02-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H52 Au Cl3 N3 P Si'
_chemical_formula_weight         937.22

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'
Si Si 0.0817 0.0704 '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'
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'

_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                   11.933(11)
_cell_length_b                   12.334(13)
_cell_length_c                   17.499(16)
_cell_angle_alpha                81.27(3)
_cell_angle_beta                 82.82(2)
_cell_angle_gamma                65.87(2)
_cell_volume                     2318(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    5572
_cell_measurement_theta_min      2.2835
_cell_measurement_theta_max      27.85

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.343
_exptl_crystal_F_000             944
_exptl_transmission_factor_min   0.5735
_exptl_transmission_factor_max   0.7413
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    3.435
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   
Sheldrick,G.M.(2012)SADABS.BrukerAXSInc.,Madison,Wisconsin,USA.
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker SMART X2S benchtop diffractometer'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            38188
_diffrn_reflns_av_unetI/netI     0.0698
_diffrn_reflns_av_R_equivalents  0.0812
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.145
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.947
_diffrn_measured_fraction_theta_full 0.937
_diffrn_reflns_Laue_measured_fraction_max 0.947
_diffrn_reflns_Laue_measured_fraction_full 0.937
_diffrn_reflns_point_group_measured_fraction_max 0.947
_diffrn_reflns_point_group_measured_fraction_full 0.937
_reflns_number_total             10080
_reflns_number_gt                8037
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1479P)²+8.0834P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10080
_refine_ls_number_parameters     452
_refine_ls_number_restraints     26
_refine_ls_R_factor_all          0.0982
_refine_ls_R_factor_gt           0.0752
_refine_ls_wR_factor_ref         0.2296
_refine_ls_wR_factor_gt          0.2087
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.054
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
# SQUEEZE RESULTS
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.500 250 67 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          ?


loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3267(7) 0.4800(7) 0.8629(5) 0.0350(16) Uani 1 1 d . . . . .
C2 C 0.0946(8) 0.3514(9) 0.7388(6) 0.047(2) Uani 1 1 d . . . . .
C3 C 0.4113(8) 0.1622(7) 0.7021(5) 0.0385(17) Uani 1 1 d . . . . .
C4 C 0.4362(10) 0.5574(8) 0.7464(6) 0.052(2) Uani 1 1 d . . . . .
C5 C 0.4948(9) 0.1485(8) 0.6365(6) 0.050(2) Uani 1 1 d . . . . .
C6 C 0.5498(10) 0.2407(11) 0.6038(7) 0.062(3) Uani 1 1 d . . . . .
H6 H 0.5031 0.3147 0.6299 0.075 Uiso 1 1 calc R U . . .
C7 C 0.2277(9) 0.3865(9) 0.5987(6) 0.051(2) Uani 1 1 d . . . . .
C8 C 0.3160(11) 0.6315(10) 0.9483(7) 0.061(3) Uani 1 1 d . . . . .
H8 H 0.3987 0.5862 0.9611 0.073 Uiso 1 1 calc R U . . .
C9 C 0.2604(8) 0.5927(7) 0.9002(6) 0.0438(19) Uani 1 1 d . . . . .
C11 C 0.5333(12) 0.0432(11) 0.5991(7) 0.069(3) Uani 1 1 d . . . . .
H11 H 0.5868 0.0350 0.5533 0.083 Uiso 1 1 calc R U . . .
C12 C 0.3739(9) 0.0668(8) 0.7331(6) 0.049(2) Uani 1 1 d . . . . .
C13 C 0.3029(10) 0.0618(9) 0.8110(7) 0.060(3) Uani 1 1 d . . . . .
H13 H 0.2747 0.1413 0.8308 0.072 Uiso 1 1 calc R U . . .
C14 C 0.3873(16) -0.0334(10) 0.8695(8) 0.087(5) Uani 1 1 d . . . . .
H14A H 0.4558 -0.0125 0.8768 0.131 Uiso 1 1 calc R U . . .
H14B H 0.4196 -0.1116 0.8499 0.131 Uiso 1 1 calc R U . . .
H14C H 0.3402 -0.0368 0.9192 0.131 Uiso 1 1 calc R U . . .
C15 C 0.1385(9) 0.6573(9) 0.8821(7) 0.061(3) Uani 1 1 d . . . . .
H15 H 0.1009 0.6293 0.8491 0.073 Uiso 1 1 calc R U . . .
C16 C 0.1684(10) 0.4077(12) 1.0062(6) 0.064(3) Uani 1 1 d . . . . .
H16A H 0.1043 0.3923 0.9855 0.096 Uiso 1 1 calc R U . . .
H16B H 0.1544 0.4922 0.9931 0.096 Uiso 1 1 calc R U . . .
H16C H 0.1654 0.3887 1.0627 0.096 Uiso 1 1 calc R U . . .
C17 C 0.2348(10) 0.2898(12) 0.5633(7) 0.066(3) Uani 1 1 d . . . . .
H17 H 0.2456 0.2155 0.5931 0.079 Uiso 1 1 calc R U . . .
C18 C 0.2947(8) 0.3295(8) 0.9710(5) 0.0438(19) Uani 1 1 d . . . . .
C19 C 0.0632(10) 0.3538(11) 0.8189(6) 0.058(2) Uani 1 1 d . . . . .
H19 H 0.1124 0.3712 0.8499 0.070 Uiso 1 1 calc R U . . .
C20 C 0.2081(12) 0.4952(13) 0.5521(7) 0.074(3) Uani 1 1 d . . . . .
H20 H 0.2036 0.5617 0.5754 0.089 Uiso 1 1 calc R U . . .
C21 C 0.1915(14) 0.0347(12) 0.8081(9) 0.082(4) Uani 1 1 d . . . . .
H21A H 0.2177 -0.0463 0.7937 0.123 Uiso 1 1 calc R U . . .
H21B H 0.1379 0.0924 0.7695 0.123 Uiso 1 1 calc R U . . .
H21C H 0.1464 0.0404 0.8591 0.123 Uiso 1 1 calc R U . . .
C23 C 0.4952(14) -0.0457(11) 0.6273(8) 0.080(4) Uani 1 1 d . . . . .
H23 H 0.5207 -0.1151 0.6014 0.096 Uiso 1 1 calc R U . . .
C24 C 0.2261(13) 0.3040(15) 0.4852(7) 0.082(4) Uani 1 1 d . . . . .
H24 H 0.2351 0.2380 0.4596 0.098 Uiso 1 1 calc R U . . .
C25 C -0.0372(12) 0.3316(13) 0.8542(8) 0.074(3) Uani 1 1 d . . . . .
H25 H -0.0522 0.3276 0.9090 0.089 Uiso 1 1 calc R U . . .
C26 C 0.5233(14) 0.5859(15) 0.7895(9) 0.086(4) Uani 1 1 d . . . . .
H26A H 0.5982 0.5137 0.7988 0.129 Uiso 1 1 calc R U . . .
H26B H 0.4824 0.6139 0.8392 0.129 Uiso 1 1 calc R U . . .
H26C H 0.5449 0.6484 0.7581 0.129 Uiso 1 1 calc R U . . .
C27 C 0.4202(13) -0.0340(10) 0.6933(8) 0.074(3) Uani 1 1 d . . . . .
H27 H 0.3978 -0.0988 0.7137 0.089 Uiso 1 1 calc R U . . .
C28 C 0.0144(10) 0.3354(13) 0.6957(7) 0.071(3) Uani 1 1 d . . . . .
H28 H 0.0302 0.3362 0.6410 0.085 Uiso 1 1 calc R U . . .
C29 C 0.2433(14) 0.7432(10) 0.9781(7) 0.074(4) Uani 1 1 d . . . . .
H29 H 0.2788 0.7749 1.0099 0.088 Uiso 1 1 calc R U . . .
C30 C -0.1138(11) 0.3156(15) 0.8100(9) 0.082(4) Uani 1 1 d . . . . .
H30 H -0.1843 0.3027 0.8332 0.099 Uiso 1 1 calc R U . . .
C31 C 0.6863(14) 0.1917(18) 0.6239(8) 0.096(5) Uani 1 1 d . . . . .
H31A H 0.7183 0.2540 0.6084 0.145 Uiso 1 1 calc R U . . .
H31B H 0.7352 0.1221 0.5960 0.145 Uiso 1 1 calc R U . . .
H31C H 0.6915 0.1681 0.6798 0.145 Uiso 1 1 calc R U . . .
C32 C 0.3261(16) 0.6706(13) 0.7233(11) 0.101(5) Uani 1 1 d . . . . .
H32A H 0.2860 0.7115 0.7693 0.152 Uiso 1 1 calc R U . . .
H32B H 0.2676 0.6501 0.7002 0.152 Uiso 1 1 calc R U . . .
H32C H 0.3537 0.7235 0.6855 0.152 Uiso 1 1 calc R U . . .
C33 C 0.5457(14) 0.2759(14) 0.5165(7) 0.084(4) Uani 1 1 d . . . . .
H33A H 0.6003 0.2071 0.4895 0.125 Uiso 1 1 calc R U . . .
H33B H 0.5730 0.3417 0.5021 0.125 Uiso 1 1 calc R U . . .
H33C H 0.4613 0.3016 0.5018 0.125 Uiso 1 1 calc R U . . .
C34 C -0.0874(13) 0.3185(17) 0.7303(9) 0.092(5) Uani 1 1 d . . . . .
H34 H -0.1414 0.3084 0.6991 0.110 Uiso 1 1 calc R U . . .
C35 C 0.5049(15) 0.5029(12) 0.6731(8) 0.085(4) Uani 1 1 d . . . . .
H35A H 0.4493 0.4862 0.6445 0.127 Uiso 1 1 calc R U . . .
H35B H 0.5751 0.4284 0.6871 0.127 Uiso 1 1 calc R U . . .
H35C H 0.5344 0.5592 0.6406 0.127 Uiso 1 1 calc R U . . .
C36 C 0.1951(16) 0.5082(18) 0.4739(9) 0.099(6) Uani 1 1 d . . . . .
H36 H 0.1802 0.5830 0.4437 0.119 Uiso 1 1 calc R U . . .
C37 C 0.2036(18) 0.417(2) 0.4421(8) 0.115(7) Uani 1 1 d . . . . .
H37 H 0.1944 0.4258 0.3881 0.138 Uiso 1 1 calc R U . . .
C38 C 0.1227(14) 0.8046(14) 0.9610(9) 0.082(4) Uani 1 1 d . U . . .
H38 H 0.0746 0.8766 0.9833 0.099 Uiso 1 1 calc R U . . .
C39 C 0.0725(11) 0.7667(11) 0.9148(8) 0.080(4) Uani 1 1 d . . . . .
H39 H -0.0103 0.8133 0.9027 0.096 Uiso 1 1 calc R U . . .
C40 C 0.205(3) 0.167(2) 0.2596(18) 0.178(10) Uani 1 1 d D U . . .
H40A H 0.2009 0.1274 0.2157 0.214 Uiso 1 1 calc R U . . .
H40B H 0.2757 0.1120 0.2894 0.214 Uiso 1 1 calc R U . . .
Au1 Au 0.61255(3) 0.16827(3) 0.84113(2) 0.04528(15) Uani 1 1 d . . . . .
Si1 Si 0.42794(18) 0.30512(17) 0.80695(13) 0.0315(4) Uani 1 1 d . . . . .
P1 P 0.2246(2) 0.39342(19) 0.70300(13) 0.0389(5) Uani 1 1 d . . . . .
N3 N 0.3582(6) 0.2761(6) 0.7358(4) 0.0355(14) Uani 1 1 d . . . . .
N2 N 0.3983(6) 0.4661(6) 0.7970(4) 0.0366(14) Uani 1 1 d . . . . .
N1 N 0.3175(6) 0.3736(5) 0.8879(4) 0.0343(13) Uani 1 1 d . . . . .
Cl1 Cl 0.8032(2) 0.0291(2) 0.8822(2) 0.0768(9) Uani 1 1 d . . . . .
Cl2 Cl 0.2255(14) 0.2860(13) 0.2271(6) 0.281(6) Uani 1 1 d D U . . .
Cl3 Cl 0.0832(19) 0.197(2) 0.3131(14) 0.417(12) Uani 1 1 d D U . . .
C41 C 0.3057(12) 0.2006(10) 0.9732(6) 0.062(3) Uani 1 1 d . . . . .
H41A H 0.3842 0.1531 0.9467 0.093 Uiso 1 1 calc R U . . .
H41B H 0.2376 0.2007 0.9470 0.093 Uiso 1 1 calc R U . . .
H41C H 0.3022 0.1658 1.0271 0.093 Uiso 1 1 calc R U . . .
C42 C 0.3941(10) 0.3299(11) 1.0204(6) 0.062(3) Uani 1 1 d . . . . .
H42A H 0.3986 0.4085 1.0112 0.092 Uiso 1 1 calc R U . . .
H42B H 0.4742 0.2685 1.0058 0.092 Uiso 1 1 calc R U . . .
H42C H 0.3721 0.3131 1.0755 0.092 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N2 1.335(10) . ?
C1 N1 1.363(10) . ?
C1 C9 1.494(10) . ?
C1 Si1 2.298(8) . ?
C2 C28 1.380(15) . ?
C2 C19 1.407(14) . ?
C2 P1 1.840(9) . ?
C3 C5 1.405(13) . ?
C3 C12 1.432(12) . ?
C3 N3 1.467(10) . ?
C4 N2 1.507(11) . ?
C4 C32 1.517(18) . ?
C4 C35 1.522(16) . ?
C4 C26 1.532(17) . ?
C5 C11 1.422(14) . ?
C5 C6 1.540(15) . ?
C6 C33 1.525(17) . ?
C6 C31 1.554(19) . ?
C6 H6 1.0000 . ?
C7 C17 1.392(17) . ?
C7 C20 1.406(16) . ?
C7 P1 1.835(11) . ?
C8 C9 1.378(15) . ?
C8 C29 1.432(15) . ?
C8 H8 0.9500 . ?
C9 C15 1.395(13) . ?
C11 C23 1.357(18) . ?
C11 H11 0.9500 . ?
C12 C27 1.394(14) . ?
C12 C13 1.519(14) . ?
C13 C21 1.505(18) . ?
C13 C14 1.540(18) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C39 1.422(16) . ?
C15 H15 0.9500 . ?
C16 C18 1.531(13) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C24 1.364(17) . ?
C17 H17 0.9500 . ?
C18 N1 1.505(11) . ?
C18 C41 1.536(13) . ?
C18 C42 1.555(14) . ?
C19 C25 1.386(15) . ?
C19 H19 0.9500 . ?
C20 C36 1.374(19) . ?
C20 H20 0.9500 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C23 C27 1.356(18) . ?
C23 H23 0.9500 . ?
C24 C37 1.42(3) . ?
C24 H24 0.9500 . ?
C25 C30 1.36(2) . ?
C25 H25 0.9500 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27 0.9500 . ?
C28 C34 1.369(17) . ?
C28 H28 0.9500 . ?
C29 C38 1.37(2) . ?
C29 H29 0.9500 . ?
C30 C34 1.39(2) . ?
C30 H30 0.9500 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34 0.9500 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 C37 1.29(3) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
C38 C39 1.30(2) . ?
C38 H38 0.9500 . ?
C39 H39 0.9500 . ?
C40 Cl3 1.567(17) . ?
C40 Cl2 1.588(17) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
Au1 Si1 2.246(3) . ?
Au1 Cl1 2.341(3) . ?
Si1 N3 1.735(7) . ?
Si1 N2 1.853(7) . ?
Si1 N1 1.856(7) . ?
P1 N3 1.747(7) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 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
N2 C1 N1 107.4(6) . . ?
N2 C1 C9 127.1(7) . . ?
N1 C1 C9 125.4(7) . . ?
N2 C1 Si1 53.7(4) . . ?
N1 C1 Si1 53.9(4) . . ?
C9 C1 Si1 179.2(7) . . ?
C28 C2 C19 116.4(9) . . ?
C28 C2 P1 127.7(8) . . ?
C19 C2 P1 115.1(7) . . ?
C5 C3 C12 119.6(8) . . ?
C5 C3 N3 119.8(7) . . ?
C12 C3 N3 120.5(7) . . ?
N2 C4 C32 112.0(9) . . ?
N2 C4 C35 108.1(8) . . ?
C32 C4 C35 108.4(12) . . ?
N2 C4 C26 109.0(9) . . ?
C32 C4 C26 110.4(11) . . ?
C35 C4 C26 108.9(11) . . ?
C3 C5 C11 118.9(10) . . ?
C3 C5 C6 123.3(8) . . ?
C11 C5 C6 117.8(9) . . ?
C33 C6 C5 115.4(11) . . ?
C33 C6 C31 107.8(10) . . ?
C5 C6 C31 109.6(11) . . ?
C33 C6 H6 107.9 . . ?
C5 C6 H6 107.9 . . ?
C31 C6 H6 107.9 . . ?
C17 C7 C20 118.1(10) . . ?
C17 C7 P1 126.8(8) . . ?
C20 C7 P1 114.8(9) . . ?
C9 C8 C29 116.9(12) . . ?
C9 C8 H8 121.5 . . ?
C29 C8 H8 121.5 . . ?
C8 C9 C15 122.1(9) . . ?
C8 C9 C1 122.6(8) . . ?
C15 C9 C1 115.3(9) . . ?
C23 C11 C5 121.3(11) . . ?
C23 C11 H11 119.3 . . ?
C5 C11 H11 119.3 . . ?
C27 C12 C3 116.7(9) . . ?
C27 C12 C13 118.4(9) . . ?
C3 C12 C13 124.3(8) . . ?
C21 C13 C12 114.2(11) . . ?
C21 C13 C14 108.0(10) . . ?
C12 C13 C14 110.2(10) . . ?
C21 C13 H13 108.1 . . ?
C12 C13 H13 108.1 . . ?
C14 C13 H13 108.1 . . ?
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 . . ?
C9 C15 C39 117.4(12) . . ?
C9 C15 H15 121.3 . . ?
C39 C15 H15 121.3 . . ?
C18 C16 H16A 109.5 . . ?
C18 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C18 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C24 C17 C7 118.6(13) . . ?
C24 C17 H17 120.7 . . ?
C7 C17 H17 120.7 . . ?
N1 C18 C16 112.4(7) . . ?
N1 C18 C41 107.6(7) . . ?
C16 C18 C41 110.3(9) . . ?
N1 C18 C42 109.6(7) . . ?
C16 C18 C42 107.9(9) . . ?
C41 C18 C42 109.1(9) . . ?
C25 C19 C2 122.3(10) . . ?
C25 C19 H19 118.9 . . ?
C2 C19 H19 118.9 . . ?
C36 C20 C7 122.1(15) . . ?
C36 C20 H20 119.0 . . ?
C7 C20 H20 119.0 . . ?
C13 C21 H21A 109.5 . . ?
C13 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C13 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C27 C23 C11 119.0(10) . . ?
C27 C23 H23 120.5 . . ?
C11 C23 H23 120.5 . . ?
C17 C24 C37 120.2(14) . . ?
C17 C24 H24 119.9 . . ?
C37 C24 H24 119.9 . . ?
C30 C25 C19 119.5(12) . . ?
C30 C25 H25 120.2 . . ?
C19 C25 H25 120.2 . . ?
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 . . ?
C23 C27 C12 124.3(11) . . ?
C23 C27 H27 117.8 . . ?
C12 C27 H27 117.8 . . ?
C34 C28 C2 121.1(12) . . ?
C34 C28 H28 119.5 . . ?
C2 C28 H28 119.5 . . ?
C38 C29 C8 120.4(13) . . ?
C38 C29 H29 119.8 . . ?
C8 C29 H29 119.8 . . ?
C25 C30 C34 118.9(11) . . ?
C25 C30 H30 120.5 . . ?
C34 C30 H30 120.5 . . ?
C6 C31 H31A 109.5 . . ?
C6 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C6 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C4 C32 H32A 109.5 . . ?
C4 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C4 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C6 C33 H33A 109.5 . . ?
C6 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C6 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C28 C34 C30 121.6(13) . . ?
C28 C34 H34 119.2 . . ?
C30 C34 H34 119.2 . . ?
C4 C35 H35A 109.5 . . ?
C4 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C4 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C37 C36 C20 118.8(15) . . ?
C37 C36 H36 120.6 . . ?
C20 C36 H36 120.6 . . ?
C36 C37 C24 122.2(13) . . ?
C36 C37 H37 118.9 . . ?
C24 C37 H37 118.9 . . ?
C39 C38 C29 121.6(14) . . ?
C39 C38 H38 119.2 . . ?
C29 C38 H38 119.2 . . ?
C38 C39 C15 121.7(13) . . ?
C38 C39 H39 119.2 . . ?
C15 C39 H39 119.2 . . ?
Cl3 C40 Cl2 110.8(18) . . ?
Cl3 C40 H40A 109.5 . . ?
Cl2 C40 H40A 109.5 . . ?
Cl3 C40 H40B 109.5 . . ?
Cl2 C40 H40B 109.5 . . ?
H40A C40 H40B 108.1 . . ?
Si1 Au1 Cl1 177.39(9) . . ?
N3 Si1 N2 110.3(3) . . ?
N3 Si1 N1 112.7(3) . . ?
N2 Si1 N1 71.8(3) . . ?
N3 Si1 Au1 118.2(2) . . ?
N2 Si1 Au1 119.6(2) . . ?
N1 Si1 Au1 115.7(2) . . ?
N3 Si1 C1 118.7(3) . . ?
N2 Si1 C1 35.5(3) . . ?
N1 Si1 C1 36.4(3) . . ?
Au1 Si1 C1 123.1(2) . . ?
N3 P1 C7 106.5(4) . . ?
N3 P1 C2 107.2(4) . . ?
C7 P1 C2 100.5(5) . . ?
C3 N3 Si1 122.1(5) . . ?
C3 N3 P1 121.8(6) . . ?
Si1 N3 P1 116.0(4) . . ?
C1 N2 C4 128.2(7) . . ?
C1 N2 Si1 90.8(5) . . ?
C4 N2 Si1 140.9(6) . . ?
C1 N1 C18 125.5(7) . . ?
C1 N1 Si1 89.8(5) . . ?
C18 N1 Si1 134.0(5) . . ?
C18 C41 H41A 109.5 . . ?
C18 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C18 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C18 C42 H42A 109.5 . . ?
C18 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C18 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?

_refine_diff_density_max         3.306
_refine_diff_density_min         -1.545
_refine_diff_density_rms         0.230

_shelxl_version_number           2014/6


_chemical_properties_physical    Moisture-sensitive
####################################################################### 
# 
# 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_SINP_4
_database_code_depnum_ccdc_archive 'CCDC 1437077'
_audit_update_record             
;
2015-11-13 deposited with the CCDC.
2016-02-02 downloaded from the CCDC.
;

#============================================================================
# start Validation Reply Form
#============================================================================




_vrf_RINTA01_SINP_4              
;
PROBLEM: The value of Rint is greater than 0.18
RESPONSE:Crystals exhibited very poor diffraction at high angles ,
and diffraction was also very weak. Hence , overall quality of data 
was poor.
;
_vrf_PLAT018_SINP_4              
;
PROBLEM:  _diffrn_measured_fraction_theta_max .NE. _full 
RESPONSE: Even though crystal data was collected up to 0.75 angstrom 
resolution, the crystal (the largest available) still diffracted quite 
weakly at high angle. So during refinement 2theta value was set to be 
48.5 degree.
;
_vrf_PLAT230_SINP_4              
; 
PROBLEM: Hirshfeld Test Diff for    C24    --  C36
RESPONSE: There is positional disorder in related t-Butyl group.
;
#============================================================================
# End Validation Reply Form
#============================================================================

_audit_creation_method           SHELXL-2014/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C80 H104 Au2 Cl4 F12 N6 P2 Sb2 Si2'
_chemical_formula_sum            'C80 H104 Au2 Cl4 F12 N6 P2 Sb2 Si2'
_chemical_formula_weight         2275.04

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'
Si Si 0.0817 0.0704 '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'
Cl Cl 0.1484 0.1585 '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'

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

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

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

_cell_length_a                   12.058(6)
_cell_length_b                   14.762(9)
_cell_length_c                   15.001(9)
_cell_angle_alpha                116.997(14)
_cell_angle_beta                 104.713(14)
_cell_angle_gamma                95.716(14)
_cell_volume                     2228(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9404
_cell_measurement_theta_min      2.351
_cell_measurement_theta_max      25.005

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.695
_exptl_crystal_F_000             1120
_exptl_transmission_factor_min   0.1129
_exptl_transmission_factor_max   0.1525
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    4.133
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   
'Sheldrick,G.M.(2012)SADABS.BrukerAXS Inc.,Madison, Wisconsin, USA.'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker SMART X2S benchtop diffractometer'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            89255
_diffrn_reflns_av_unetI/netI     0.0971
_diffrn_reflns_av_R_equivalents  0.2448
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.306
_diffrn_reflns_theta_max         24.248
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.891
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.891
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.891
_reflns_number_total             7185
_reflns_number_gt                5264
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0344P)²+19.4861P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7185
_refine_ls_number_parameters     494
_refine_ls_number_restraints     90
_refine_ls_R_factor_all          0.0985
_refine_ls_R_factor_gt           0.0571
_refine_ls_wR_factor_ref         0.1210
_refine_ls_wR_factor_gt          0.1046
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C7 C 0.7168(4) 0.7703(5) 0.7094(4) 0.026(2) Uani 1 1 d G . . . .
C2 C 0.6343(5) 0.8300(4) 0.7263(4) 0.031(2) Uani 1 1 d G . . . .
C3 C 0.5291(5) 0.8019(5) 0.6443(6) 0.043(3) Uani 1 1 d G . . . .
H3 H 0.4727 0.8427 0.6558 0.052 Uiso 1 1 calc R U . . .
C4 C 0.5064(5) 0.7140(6) 0.5455(5) 0.053(3) Uani 1 1 d G . . . .
H4 H 0.4345 0.6948 0.4895 0.063 Uiso 1 1 calc R U . . .
C5 C 0.5890(6) 0.6543(5) 0.5287(4) 0.046(3) Uani 1 1 d G . . . .
H5 H 0.5735 0.5943 0.4611 0.055 Uiso 1 1 calc R U . . .
C6 C 0.6942(5) 0.6824(5) 0.6106(5) 0.035(3) Uani 1 1 d G . . . .
C1 C 1.0374(9) 0.8340(7) 0.6581(8) 0.030(2) Uani 1 1 d . . . . .
C8 C 0.9202(9) 0.7121(7) 0.9210(7) 0.028(2) Uani 1 1 d . . . . .
C9 C 1.0324(10) 0.7511(9) 0.9948(9) 0.044(3) Uani 1 1 d . . . . .
H9 H 1.0648 0.8248 1.0361 0.053 Uiso 1 1 calc R U . . .
C10 C 0.8742(10) 0.6037(8) 0.8612(9) 0.042(3) Uani 1 1 d . . . . .
H10 H 0.7973 0.5750 0.8091 0.051 Uiso 1 1 calc R U . . .
C11 C 1.1521(9) 0.7475(8) 0.7548(8) 0.034(3) Uani 1 1 d . . . . .
C12 C 1.1169(9) 0.8438(9) 0.5992(9) 0.038(3) Uani 1 1 d . . . . .
C13 C 0.4928(10) 0.6741(11) 0.9277(11) 0.057(4) Uani 1 1 d . . . . .
H13 H 0.4244 0.6456 0.9360 0.069 Uiso 1 1 calc R U . . .
C14 C 1.2092(10) 0.9312(9) 0.6512(10) 0.044(3) Uani 1 1 d . . . . .
H14 H 1.2194 0.9830 0.7218 0.053 Uiso 1 1 calc R U . . .
C15 C 0.7789(10) 0.6116(8) 0.5875(9) 0.043(3) Uani 1 1 d . . . . .
H15 H 0.8523 0.6451 0.6514 0.052 Uiso 1 1 calc R U . . .
C16 C 1.2305(10) 0.8241(10) 0.8662(10) 0.058(4) Uani 1 1 d . . . . .
H16A H 1.1838 0.8397 0.9137 0.086 Uiso 1 1 calc R U . . .
H16B H 1.2657 0.8889 0.8697 0.086 Uiso 1 1 calc R U . . .
H16C H 1.2936 0.7938 0.8881 0.086 Uiso 1 1 calc R U . . .
C17 C 1.0532(11) 0.5787(10) 0.9523(10) 0.055(3) Uani 1 1 d . U . . .
H17 H 1.0987 0.5334 0.9633 0.066 Uiso 1 1 calc R U . . .
C18 C 0.6113(9) 0.6658(8) 0.8217(9) 0.038(3) Uani 1 1 d . . . . .
H18 H 0.6235 0.6317 0.7553 0.046 Uiso 1 1 calc R U . . .
C19 C 0.5112(10) 0.6253(10) 0.8327(11) 0.051(3) Uani 1 1 d . . . . .
H19 H 0.4552 0.5636 0.7745 0.061 Uiso 1 1 calc R U . . .
C20 C 0.6497(9) 0.9285(8) 0.8320(9) 0.039(3) Uani 1 1 d . . . . .
H20 H 0.7195 0.9321 0.8874 0.047 Uiso 1 1 calc R U . . .
C21 C 0.8152(11) 0.5987(9) 0.4927(9) 0.053(3) Uani 1 1 d . . . . .
H21A H 0.8400 0.6679 0.5004 0.080 Uiso 1 1 calc R U . . .
H21B H 0.7478 0.5553 0.4269 0.080 Uiso 1 1 calc R U . . .
H21C H 0.8810 0.5648 0.4901 0.080 Uiso 1 1 calc R U . . .
C22 C 1.2264(11) 0.7149(10) 0.6806(10) 0.055(3) Uani 1 1 d . U . . .
H22A H 1.2665 0.7772 0.6824 0.083 Uiso 1 1 calc R U . . .
H22B H 1.1743 0.6646 0.6078 0.083 Uiso 1 1 calc R U . . .
H22C H 1.2855 0.6824 0.7043 0.083 Uiso 1 1 calc R U . . .
C23 C 0.7271(12) 0.5019(9) 0.5689(10) 0.056(4) Uani 1 1 d . . . . .
H23A H 0.7895 0.4642 0.5695 0.084 Uiso 1 1 calc R U . . .
H23B H 0.6632 0.4622 0.5000 0.084 Uiso 1 1 calc R U . . .
H23C H 0.6956 0.5098 0.6255 0.084 Uiso 1 1 calc R U . . .
C24 C 0.8927(9) 0.9351(8) 0.6138(8) 0.034(3) Uani 1 1 d . . . . .
C25 C 0.6746(9) 0.8048(9) 0.9998(9) 0.039(3) Uani 1 1 d . . . . .
H25 H 0.7299 0.8670 1.0578 0.047 Uiso 1 1 calc R U . . .
C26 C 0.9417(13) 0.5367(10) 0.8782(11) 0.061(4) Uani 1 1 d . . . . .
H26 H 0.9100 0.4628 0.8384 0.073 Uiso 1 1 calc R U . . .
C27 C 1.0996(11) 0.6844(11) 1.0104(10) 0.058(4) Uani 1 1 d . . . . .
H27 H 1.1772 0.7126 1.0613 0.070 Uiso 1 1 calc R U . . .
C28 C 0.6953(9) 0.7559(8) 0.9057(9) 0.032(3) Uani 1 1 d . . . . .
C29 C 1.0904(11) 0.6468(9) 0.7467(10) 0.055(3) Uani 1 1 d . U . . .
H29A H 1.0395 0.5983 0.6730 0.083 Uiso 1 1 calc R U . . .
H29B H 1.0422 0.6640 0.7930 0.083 Uiso 1 1 calc R U . . .
H29C H 1.1501 0.6138 0.7688 0.083 Uiso 1 1 calc R U . . .
C30 C 0.6721(12) 1.0320(9) 0.8312(10) 0.060(4) Uani 1 1 d . . . . .
H30A H 0.6086 1.0283 0.7730 0.089 Uiso 1 1 calc R U . . .
H30B H 0.7482 1.0442 0.8210 0.089 Uiso 1 1 calc R U . . .
H30C H 0.6740 1.0898 0.8990 0.089 Uiso 1 1 calc R U . . .
C31 C 1.2693(12) 0.8682(11) 0.5023(11) 0.067(4) Uani 1 1 d . U . . .
H31 H 1.3233 0.8757 0.4682 0.081 Uiso 1 1 calc R U . . .
C32 C 1.2889(12) 0.9459(11) 0.6026(11) 0.066(4) Uani 1 1 d . U . . .
H32 H 1.3527 1.0067 0.6378 0.079 Uiso 1 1 calc R U . . .
C33 C 0.5401(10) 0.9204(11) 0.8667(10) 0.064(4) Uani 1 1 d . . . . .
H33A H 0.5170 0.8502 0.8574 0.097 Uiso 1 1 calc R U . . .
H33B H 0.4743 0.9324 0.8230 0.097 Uiso 1 1 calc R U . . .
H33C H 0.5597 0.9733 0.9416 0.097 Uiso 1 1 calc R U . . .
C34 C 0.5728(10) 0.7643(10) 1.0118(10) 0.053(3) Uani 1 1 d . . . . .
H34 H 0.5590 0.7989 1.0774 0.064 Uiso 1 1 calc R U . . .
C35 C 1.1011(12) 0.7688(11) 0.4973(10) 0.059(4) Uani 1 1 d . . . . .
H35 H 1.0369 0.7082 0.4604 0.071 Uiso 1 1 calc R U . . .
C36 C 0.7652(14) 0.9242(14) 0.6066(14) 0.103(6) Uani 1 1 d . U . . .
H36A H 0.7343 0.9750 0.5887 0.155 Uiso 1 1 calc R U . . .
H36B H 0.7587 0.9375 0.6751 0.155 Uiso 1 1 calc R U . . .
H36C H 0.7192 0.8529 0.5513 0.155 Uiso 1 1 calc R U . . .
C37 C 0.8870(14) 0.8872(12) 0.5002(12) 0.085(5) Uani 1 1 d . U . . .
H37A H 0.9660 0.9054 0.4975 0.127 Uiso 1 1 calc R U . . .
H37B H 0.8322 0.9142 0.4638 0.127 Uiso 1 1 calc R U . . .
H37C H 0.8590 0.8107 0.4652 0.127 Uiso 1 1 calc R U . . .
C38 C 1.1807(12) 0.7825(11) 0.4479(12) 0.067(4) Uani 1 1 d . U . . .
H38 H 1.1714 0.7315 0.3771 0.081 Uiso 1 1 calc R U . . .
C39 C 0.9617(14) 1.0450(12) 0.6760(13) 0.087(5) Uani 1 1 d . U . . .
H39A H 0.9259 1.0851 0.6445 0.130 Uiso 1 1 calc R U . . .
H39B H 1.0432 1.0483 0.6758 0.130 Uiso 1 1 calc R U . . .
H39C H 0.9619 1.0750 0.7493 0.130 Uiso 1 1 calc R U . . .
C40 C 0.2542(13) 0.3818(13) 0.8559(14) 0.091(5) Uani 1 1 d . . . . .
H40A H 0.3100 0.3380 0.8345 0.109 Uiso 1 1 calc R U . . .
H40B H 0.2964 0.4415 0.9286 0.109 Uiso 1 1 calc R U . . .
P1 P 0.8402(2) 0.8056(2) 0.9089(2) 0.0256(6) Uani 1 1 d . . . . .
Si1 Si 0.9579(2) 0.8705(2) 0.7869(2) 0.0230(6) Uani 1 1 d . . . . .
N2 N 1.0557(7) 0.7946(6) 0.7245(6) 0.0267(19) Uani 1 1 d . . . . .
N3 N 0.8321(7) 0.8030(6) 0.7915(6) 0.0235(19) Uani 1 1 d . . . . .
N1 N 0.9418(7) 0.8725(6) 0.6644(6) 0.026(2) Uani 1 1 d . . . . .
Au1 Au 1.06126(4) 1.02722(3) 0.94152(3) 0.02452(13) Uani 1 1 d . . . . .
Sb02 Sb 0.42934(10) 0.70560(9) 0.24559(9) 0.0740(3) Uani 1 1 d . . . . .
F1 F 0.3648(16) 0.6044(13) 0.1100(10) 0.211(7) Uani 1 1 d . U . . .
F2 F 0.3541(13) 0.6255(11) 0.2860(10) 0.186(6) Uani 1 1 d . U . . .
F3 F 0.2992(14) 0.7615(15) 0.2415(13) 0.227(7) Uani 1 1 d . U . . .
F4 F 0.4963(19) 0.7875(13) 0.2098(13) 0.254(8) Uani 1 1 d . U . . .
F5 F 0.5473(14) 0.6528(13) 0.2670(16) 0.243(8) Uani 1 1 d . U . . .
F6 F 0.4867(9) 0.8138(8) 0.3872(8) 0.119(3) Uani 1 1 d . U . . .
Cl1 Cl 0.1357(5) 0.3084(4) 0.8571(5) 0.1250(19) Uani 1 1 d . . . . .
Cl2 Cl 0.2115(4) 0.4297(4) 0.7695(4) 0.0965(14) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C7 C2 1.3900 . ?
C7 C6 1.3900 . ?
C7 N3 1.462(9) . ?
C2 C3 1.3900 . ?
C2 C20 1.538(11) . ?
C3 C4 1.3900 . ?
C3 H3 0.9500 . ?
C4 C5 1.3900 . ?
C4 H4 0.9500 . ?
C5 C6 1.3900 . ?
C5 H5 0.9500 . ?
C6 C15 1.524(12) . ?
C1 N1 1.341(12) . ?
C1 N2 1.348(12) . ?
C1 C12 1.498(14) . ?
C1 Si1 2.245(10) . ?
C8 C9 1.376(14) . ?
C8 C10 1.393(14) . ?
C8 P1 1.809(10) . ?
C9 C27 1.397(16) . ?
C9 H9 0.9500 . ?
C10 C26 1.410(16) . ?
C10 H10 0.9500 . ?
C11 N2 1.491(13) . ?
C11 C16 1.494(15) . ?
C11 C29 1.531(15) . ?
C11 C22 1.543(15) . ?
C12 C14 1.367(15) . ?
C12 C35 1.368(16) . ?
C13 C19 1.364(17) . ?
C13 C34 1.377(17) . ?
C13 H13 0.9500 . ?
C14 C32 1.400(16) . ?
C14 H14 0.9500 . ?
C15 C21 1.528(15) . ?
C15 C23 1.546(15) . ?
C15 H15 1.0000 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C27 1.360(17) . ?
C17 C26 1.370(17) . ?
C17 H17 0.9500 . ?
C18 C19 1.374(14) . ?
C18 C28 1.394(14) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C30 1.532(15) . ?
C20 C33 1.552(15) . ?
C20 H20 1.0000 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C39 1.468(17) . ?
C24 C37 1.498(17) . ?
C24 C36 1.501(18) . ?
C24 N1 1.516(12) . ?
C25 C28 1.366(14) . ?
C25 C34 1.399(15) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 P1 1.806(10) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C38 1.326(17) . ?
C31 C32 1.354(18) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34 0.9500 . ?
C35 C38 1.404(17) . ?
C35 H35 0.9500 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38 0.9500 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 Cl1 1.714(15) . ?
C40 Cl2 1.735(16) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
P1 N3 1.721(8) . ?
P1 Au1 2.361(3) 2_777 ?
Si1 N3 1.764(8) . ?
Si1 N1 1.812(8) . ?
Si1 N2 1.842(8) . ?
Si1 Au1 2.317(3) . ?
Au1 P1 2.361(3) 2_777 ?
Au1 Au1 2.8753(14) 2_777 ?
Sb02 F5 1.718(14) . ?
Sb02 F4 1.736(12) . ?
Sb02 F1 1.783(14) . ?
Sb02 F2 1.818(11) . ?
Sb02 F3 1.844(14) . ?
Sb02 F6 1.869(10) . ?

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
C2 C7 C6 120.0 . . ?
C2 C7 N3 121.0(5) . . ?
C6 C7 N3 118.8(5) . . ?
C7 C2 C3 120.0 . . ?
C7 C2 C20 124.6(6) . . ?
C3 C2 C20 115.4(6) . . ?
C4 C3 C2 120.0 . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C5 120.0 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 C6 120.0 . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C6 C7 120.0 . . ?
C5 C6 C15 117.1(6) . . ?
C7 C6 C15 122.8(6) . . ?
N1 C1 N2 106.6(8) . . ?
N1 C1 C12 126.9(10) . . ?
N2 C1 C12 126.2(9) . . ?
N1 C1 Si1 53.8(5) . . ?
N2 C1 Si1 55.1(5) . . ?
C12 C1 Si1 161.3(7) . . ?
C9 C8 C10 118.5(10) . . ?
C9 C8 P1 117.7(8) . . ?
C10 C8 P1 123.8(8) . . ?
C8 C9 C27 121.4(11) . . ?
C8 C9 H9 119.3 . . ?
C27 C9 H9 119.3 . . ?
C8 C10 C26 120.0(11) . . ?
C8 C10 H10 120.0 . . ?
C26 C10 H10 120.0 . . ?
N2 C11 C16 108.3(8) . . ?
N2 C11 C29 105.9(8) . . ?
C16 C11 C29 111.2(10) . . ?
N2 C11 C22 114.6(9) . . ?
C16 C11 C22 110.0(9) . . ?
C29 C11 C22 106.7(9) . . ?
C14 C12 C35 119.8(10) . . ?
C14 C12 C1 117.7(10) . . ?
C35 C12 C1 122.5(10) . . ?
C19 C13 C34 120.4(10) . . ?
C19 C13 H13 119.8 . . ?
C34 C13 H13 119.8 . . ?
C12 C14 C32 121.4(12) . . ?
C12 C14 H14 119.3 . . ?
C32 C14 H14 119.3 . . ?
C6 C15 C21 112.9(10) . . ?
C6 C15 C23 112.0(9) . . ?
C21 C15 C23 109.2(9) . . ?
C6 C15 H15 107.5 . . ?
C21 C15 H15 107.5 . . ?
C23 C15 H15 107.5 . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C27 C17 C26 120.9(13) . . ?
C27 C17 H17 119.6 . . ?
C26 C17 H17 119.6 . . ?
C19 C18 C28 121.6(11) . . ?
C19 C18 H18 119.2 . . ?
C28 C18 H18 119.2 . . ?
C13 C19 C18 119.5(12) . . ?
C13 C19 H19 120.2 . . ?
C18 C19 H19 120.2 . . ?
C30 C20 C2 114.7(9) . . ?
C30 C20 C33 108.3(10) . . ?
C2 C20 C33 110.9(8) . . ?
C30 C20 H20 107.6 . . ?
C2 C20 H20 107.6 . . ?
C33 C20 H20 107.6 . . ?
C15 C21 H21A 109.5 . . ?
C15 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C15 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C11 C22 H22A 109.5 . . ?
C11 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C11 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C15 C23 H23A 109.5 . . ?
C15 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C15 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C39 C24 C37 111.2(11) . . ?
C39 C24 C36 112.5(12) . . ?
C37 C24 C36 103.7(11) . . ?
C39 C24 N1 110.7(10) . . ?
C37 C24 N1 111.9(10) . . ?
C36 C24 N1 106.6(9) . . ?
C28 C25 C34 120.7(11) . . ?
C28 C25 H25 119.6 . . ?
C34 C25 H25 119.6 . . ?
C17 C26 C10 119.7(12) . . ?
C17 C26 H26 120.1 . . ?
C10 C26 H26 120.1 . . ?
C17 C27 C9 119.6(12) . . ?
C17 C27 H27 120.2 . . ?
C9 C27 H27 120.2 . . ?
C25 C28 C18 118.1(9) . . ?
C25 C28 P1 115.3(8) . . ?
C18 C28 P1 126.0(8) . . ?
C11 C29 H29A 109.5 . . ?
C11 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C11 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C20 C30 H30A 109.5 . . ?
C20 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C20 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C38 C31 C32 125.1(15) . . ?
C38 C31 H31 117.5 . . ?
C32 C31 H31 117.5 . . ?
C31 C32 C14 115.9(13) . . ?
C31 C32 H32 122.0 . . ?
C14 C32 H32 122.0 . . ?
C20 C33 H33A 109.5 . . ?
C20 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C20 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C13 C34 C25 119.6(11) . . ?
C13 C34 H34 120.2 . . ?
C25 C34 H34 120.2 . . ?
C12 C35 C38 119.3(13) . . ?
C12 C35 H35 120.3 . . ?
C38 C35 H35 120.3 . . ?
C24 C36 H36A 109.5 . . ?
C24 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C24 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C24 C37 H37A 109.5 . . ?
C24 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C24 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C31 C38 C35 118.4(14) . . ?
C31 C38 H38 120.8 . . ?
C35 C38 H38 120.8 . . ?
C24 C39 H39A 109.5 . . ?
C24 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C24 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
Cl1 C40 Cl2 112.1(9) . . ?
Cl1 C40 H40A 109.2 . . ?
Cl2 C40 H40A 109.2 . . ?
Cl1 C40 H40B 109.2 . . ?
Cl2 C40 H40B 109.2 . . ?
H40A C40 H40B 107.9 . . ?
N3 P1 C28 110.8(4) . . ?
N3 P1 C8 109.4(4) . . ?
C28 P1 C8 102.9(5) . . ?
N3 P1 Au1 112.2(3) . 2_777 ?
C28 P1 Au1 113.0(4) . 2_777 ?
C8 P1 Au1 108.1(3) . 2_777 ?
N3 Si1 N1 116.2(4) . . ?
N3 Si1 N2 118.7(4) . . ?
N1 Si1 N2 72.3(4) . . ?
N3 Si1 C1 132.1(4) . . ?
N1 Si1 C1 36.7(4) . . ?
N2 Si1 C1 36.9(4) . . ?
N3 Si1 Au1 114.8(3) . . ?
N1 Si1 Au1 115.4(3) . . ?
N2 Si1 Au1 112.9(3) . . ?
C1 Si1 Au1 113.1(3) . . ?
C1 N2 C11 130.8(8) . . ?
C1 N2 Si1 88.0(6) . . ?
C11 N2 Si1 137.1(7) . . ?
C7 N3 P1 119.8(5) . . ?
C7 N3 Si1 120.4(5) . . ?
P1 N3 Si1 117.9(4) . . ?
C1 N1 C24 127.0(8) . . ?
C1 N1 Si1 89.5(6) . . ?
C24 N1 Si1 137.5(6) . . ?
Si1 Au1 P1 175.03(10) . 2_777 ?
Si1 Au1 Au1 91.10(8) . 2_777 ?
P1 Au1 Au1 91.50(8) 2_777 2_777 ?
F5 Sb02 F4 96.0(10) . . ?
F5 Sb02 F1 92.7(8) . . ?
F4 Sb02 F1 91.2(8) . . ?
F5 Sb02 F2 87.0(9) . . ?
F4 Sb02 F2 176.5(8) . . ?
F1 Sb02 F2 90.3(7) . . ?
F5 Sb02 F3 170.6(9) . . ?
F4 Sb02 F3 91.4(9) . . ?
F1 Sb02 F3 92.8(8) . . ?
F2 Sb02 F3 85.4(8) . . ?
F5 Sb02 F6 91.0(7) . . ?
F4 Sb02 F6 89.7(6) . . ?
F1 Sb02 F6 176.0(7) . . ?
F2 Sb02 F6 88.6(5) . . ?
F3 Sb02 F6 83.3(6) . . ?

_refine_diff_density_max         1.321
_refine_diff_density_min         -1.030
_refine_diff_density_rms         0.176

_shelxl_version_number           2014/6

