# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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_sar395mono
_database_code_depnum_ccdc_archive 'CCDC 1015504'
_audit_update_record             
;
2016-11-16 deposited with the CCDC.
2016-11-21 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         ?
_chemical_formula_sum            'C18 H19 Au Cl N3'
_chemical_formula_weight         509.78

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'
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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

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

_cell_length_a                   20.988(5)
_cell_length_b                   6.425(5)
_cell_length_c                   13.166(5)
_cell_angle_alpha                90
_cell_angle_beta                 100.804(5)
_cell_angle_gamma                90
_cell_volume                     1743.9(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    140(2)
_cell_measurement_reflns_used    2647
_cell_measurement_theta_min      0.99
_cell_measurement_theta_max      27.52

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.942
_exptl_crystal_F_000             976
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.34
_exptl_absorpt_coefficient_mu    8.591
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.323
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      140(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker SMart AXS'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            11174
_diffrn_reflns_av_unetI/netI     0.0711
_diffrn_reflns_av_R_equivalents  0.0621
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         0.988
_diffrn_reflns_theta_max         27.520
_diffrn_reflns_theta_full        25.240
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             3985
_reflns_number_gt                2647
_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       'Bruker Smart AXS software'
_computing_cell_refinement       'Saint+, 2014'
_computing_data_reduction        'Saint+, 2014'
_computing_structure_solution    'direct methods'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Diamond 3D, Version 4.0'
_computing_publication_material  WinGX
_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)+(0.0473P)²+1.5456P] 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         3985
_refine_ls_number_parameters     212
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0665
_refine_ls_R_factor_gt           0.0370
_refine_ls_wR_factor_ref         0.1095
_refine_ls_wR_factor_gt          0.0836
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.037
_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
Au1 Au 0.20101(2) -0.24096(4) 0.55298(2) 0.01295(11) Uani 1 1 d . . . . .
Cl1 Cl 0.17904(11) -0.5130(3) 0.44049(17) 0.0262(5) Uani 1 1 d . . . . .
N3 N 0.2750(3) 0.0819(9) 0.6933(5) 0.0156(15) Uani 1 1 d . . . . .
C1 C 0.2155(4) 0.0022(13) 0.6460(7) 0.0213(19) Uani 1 1 d . . . . .
N1 N 0.2085(3) 0.2840(9) 0.7403(5) 0.0148(14) Uani 1 1 d . . . . .
C2 C 0.1723(4) 0.1397(12) 0.6795(6) 0.0131(17) Uani 1 1 d . . . . .
N2 N 0.2714(3) 0.2526(9) 0.7507(5) 0.0154(13) Uani 1 1 d . . . . .
C5 C 0.1006(4) 0.1349(12) 0.6569(6) 0.0138(16) Uani 1 1 d . . . . .
C20 C 0.3371(4) -0.0035(12) 0.6844(7) 0.0178(18) Uani 1 1 d . . . . .
C23 C 0.4479(4) -0.2049(14) 0.6496(8) 0.029(2) Uani 1 1 d . . . . .
C10 C 0.0640(4) 0.3126(13) 0.6180(7) 0.0186(18) Uani 1 1 d . . . . .
H4 H 0.0846 0.4369 0.6079 0.022 Uiso 1 1 calc R U . . .
C9 C -0.0034(4) 0.2984(13) 0.5950(6) 0.021(2) Uani 1 1 d . . . . .
H5 H -0.0276 0.4150 0.5700 0.025 Uiso 1 1 calc R U . . .
C6 C 0.0680(4) -0.0475(13) 0.6730(6) 0.0220(19) Uani 1 1 d . . . . .
H8 H 0.0914 -0.1634 0.7012 0.026 Uiso 1 1 calc R U . . .
C7 C 0.0006(4) -0.0579(13) 0.6471(6) 0.0217(19) Uani 1 1 d . . . . .
H7 H -0.0207 -0.1817 0.6558 0.026 Uiso 1 1 calc R U . . .
C21 C 0.3667(4) 0.0708(13) 0.6050(7) 0.0212(19) Uani 1 1 d . . . . .
C50 C 0.1863(4) 0.4541(13) 0.7988(6) 0.023(2) Uani 1 1 d . . . . .
H18A H 0.2154 0.4692 0.8639 0.034 Uiso 1 1 calc R U . . .
H18B H 0.1435 0.4235 0.8107 0.034 Uiso 1 1 calc R U . . .
H18C H 0.1853 0.5811 0.7602 0.034 Uiso 1 1 calc R U . . .
C8 C -0.0347(4) 0.1167(14) 0.6085(7) 0.023(2) Uani 1 1 d . . . . .
H6 H -0.0797 0.1102 0.5917 0.028 Uiso 1 1 calc R U . . .
C26 C 0.3403(5) 0.2507(14) 0.5379(8) 0.031(2) Uani 1 1 d . . . . .
H15A H 0.3474 0.3772 0.5772 0.046 Uiso 1 1 calc R U . . .
H15B H 0.2946 0.2314 0.5137 0.046 Uiso 1 1 calc R U . . .
H15C H 0.3619 0.2587 0.4799 0.046 Uiso 1 1 calc R U . . .
C24 C 0.4181(4) -0.2656(12) 0.7302(7) 0.0208(18) Uani 1 1 d . . . . .
H13 H 0.4354 -0.3756 0.7725 0.025 Uiso 1 1 calc R U . . .
C22 C 0.4230(4) -0.0317(14) 0.5895(7) 0.028(2) Uani 1 1 d . . . . .
H11 H 0.4445 0.0159 0.5383 0.034 Uiso 1 1 calc R U . . .
C27 C 0.5075(5) -0.3115(17) 0.6312(10) 0.045(3) Uani 1 1 d . . . . .
H16A H 0.5436 -0.2719 0.6839 0.068 Uiso 1 1 calc R U . . .
H16B H 0.5161 -0.2720 0.5647 0.068 Uiso 1 1 calc R U . . .
H16C H 0.5015 -0.4595 0.6331 0.068 Uiso 1 1 calc R U . . .
C28 C 0.3314(4) -0.2316(13) 0.8406(7) 0.028(2) Uani 1 1 d . . . . .
H17A H 0.3596 -0.1954 0.9043 0.041 Uiso 1 1 calc R U . . .
H17B H 0.3246 -0.3794 0.8381 0.041 Uiso 1 1 calc R U . . .
H17C H 0.2905 -0.1620 0.8365 0.041 Uiso 1 1 calc R U . . .
C25 C 0.3626(4) -0.1644(14) 0.7492(7) 0.0216(19) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 C1 1.973(9) . ?
Au1 Cl1 2.281(2) . ?
N3 N2 1.342(8) . ?
N3 C1 1.384(10) . ?
N3 C20 1.439(10) . ?
C1 C2 1.394(11) . ?
N1 N2 1.316(9) . ?
N1 C2 1.360(10) . ?
N1 C50 1.462(10) . ?
C2 C5 1.478(11) . ?
C5 C6 1.394(11) . ?
C5 C10 1.418(11) . ?
C20 C25 1.383(12) . ?
C20 C21 1.397(12) . ?
C23 C24 1.385(13) . ?
C23 C22 1.408(12) . ?
C23 C27 1.486(13) . ?
C10 C9 1.392(12) . ?
C9 C8 1.368(12) . ?
C6 C7 1.392(12) . ?
C7 C8 1.388(12) . ?
C21 C22 1.401(11) . ?
C21 C26 1.496(12) . ?
C24 C25 1.397(12) . ?
C28 C25 1.536(12) . ?

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 176.7(2) . . ?
N2 N3 C1 114.5(7) . . ?
N2 N3 C20 120.3(6) . . ?
C1 N3 C20 125.2(6) . . ?
N3 C1 C2 102.0(7) . . ?
N3 C1 Au1 126.3(6) . . ?
C2 C1 Au1 131.6(6) . . ?
N2 N1 C2 113.2(6) . . ?
N2 N1 C50 118.2(7) . . ?
C2 N1 C50 128.4(7) . . ?
N1 C2 C1 107.1(7) . . ?
N1 C2 C5 124.6(7) . . ?
C1 C2 C5 128.3(7) . . ?
N1 N2 N3 103.2(6) . . ?
C6 C5 C10 118.9(8) . . ?
C6 C5 C2 119.9(7) . . ?
C10 C5 C2 121.3(7) . . ?
C25 C20 C21 122.8(8) . . ?
C25 C20 N3 119.2(8) . . ?
C21 C20 N3 117.9(7) . . ?
C24 C23 C22 118.7(8) . . ?
C24 C23 C27 120.7(9) . . ?
C22 C23 C27 120.5(9) . . ?
C9 C10 C5 119.1(8) . . ?
C8 C9 C10 121.4(8) . . ?
C7 C6 C5 120.6(8) . . ?
C8 C7 C6 119.9(8) . . ?
C20 C21 C22 117.0(8) . . ?
C20 C21 C26 122.5(8) . . ?
C22 C21 C26 120.4(8) . . ?
C9 C8 C7 120.0(8) . . ?
C23 C24 C25 121.1(8) . . ?
C21 C22 C23 121.6(8) . . ?
C20 C25 C24 118.5(8) . . ?
C20 C25 C28 121.3(8) . . ?
C24 C25 C28 120.1(8) . . ?

_refine_diff_density_max         1.687
_refine_diff_density_min         -1.405
_refine_diff_density_rms         0.240

####################################################################### 
# 
# 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_s4081a
_database_code_depnum_ccdc_archive 'CCDC 1503378'
_audit_update_record             
;
2016-09-08 deposited with the CCDC.
2016-11-21 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         'C26 H23 Au Cl P, C4 H8 O'
_chemical_formula_sum            'C30 H31 Au Cl O P'
_chemical_formula_weight         670.93

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'
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'

_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                   9.8535(1)
_cell_length_b                   10.2395(1)
_cell_length_c                   13.9713(2)
_cell_angle_alpha                109.0598(7)
_cell_angle_beta                 91.5964(6)
_cell_angle_gamma                93.8629(5)
_cell_volume                     1327.47(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    35535
_cell_measurement_theta_min      1.02
_cell_measurement_theta_max      27.48

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.679
_exptl_crystal_F_000             660
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.48
_exptl_crystal_size_min          0.21
_exptl_absorpt_coefficient_mu    5.723
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1356
_exptl_absorpt_correction_T_max  0.4305
_exptl_absorpt_process_details   SADABS-2006/1
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'rotating anode'
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            19592
_diffrn_reflns_av_unetI/netI     0.0329
_diffrn_reflns_av_R_equivalents  0.0331
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.651
_diffrn_reflns_theta_max         27.517
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             6051
_reflns_number_gt                5590
_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       'Nonius COLLECT'
_computing_cell_refinement       HKL2000
_computing_data_reduction        'HKL2000, denzox, Sadabs'
_computing_structure_solution    SHELXS-97
_computing_structure_refinement  'SHELXL-2014/7 (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)+(0.0223P)²+1.3019P] 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         6051
_refine_ls_number_parameters     310
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0273
_refine_ls_R_factor_gt           0.0236
_refine_ls_wR_factor_ref         0.0547
_refine_ls_wR_factor_gt          0.0534
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.34267(2) 0.45443(2) 0.45164(2) 0.02437(5) Uani 1 1 d . . . . .
Cl1 Cl 0.33789(9) 0.29076(8) 0.52872(6) 0.03650(18) Uani 1 1 d . . . . .
P1 P 0.32725(8) 0.60933(8) 0.37410(5) 0.02254(15) Uani 1 1 d . . . . .
C1 C 0.2417(3) 0.7557(3) 0.4198(2) 0.0223(6) Uani 1 1 d . . . . .
C2 C 0.2152(3) 0.8398(3) 0.3619(2) 0.0230(6) Uani 1 1 d . . . . .
C3 C 0.2625(3) 0.8140(3) 0.2635(2) 0.0228(6) Uani 1 1 d . . . . .
C4 C 0.3335(3) 0.6986(3) 0.2153(2) 0.0238(6) Uani 1 1 d . . . . .
H4 H 0.3605 0.6901 0.1489 0.029 Uiso 1 1 calc R U . . .
C5 C 0.3687(3) 0.5957(3) 0.2526(2) 0.0228(6) Uani 1 1 d . . . . .
C6 C 0.1914(3) 0.7838(3) 0.5248(2) 0.0244(6) Uani 1 1 d . . . . .
C7 C 0.2604(3) 0.8856(3) 0.6071(2) 0.0257(6) Uani 1 1 d . . . . .
C8 C 0.2091(3) 0.9125(3) 0.7042(2) 0.0302(7) Uani 1 1 d . . . . .
C9 C 0.0916(4) 0.8380(4) 0.7150(2) 0.0353(7) Uani 1 1 d . . . . .
H9 H 0.0560 0.8572 0.7802 0.042 Uiso 1 1 calc R U . . .
C10 C 0.0250(3) 0.7374(4) 0.6343(3) 0.0366(8) Uani 1 1 d . . . . .
H10 H -0.0552 0.6874 0.6441 0.044 Uiso 1 1 calc R U . . .
C11 C 0.0745(3) 0.7083(3) 0.5382(2) 0.0316(7) Uani 1 1 d . . . . .
H11 H 0.0293 0.6377 0.4821 0.038 Uiso 1 1 calc R U . . .
C12 C 0.3869(4) 0.9645(3) 0.5930(2) 0.0350(7) Uani 1 1 d . . . . .
H12A H 0.3655 1.0570 0.5940 0.052 Uiso 1 1 calc R U . . .
H12B H 0.4238 0.9150 0.5278 0.052 Uiso 1 1 calc R U . . .
H12C H 0.4544 0.9732 0.6480 0.052 Uiso 1 1 calc R U . . .
C13 C 0.2809(5) 1.0211(4) 0.7948(3) 0.0479(10) Uani 1 1 d . . . . .
H13A H 0.2280 1.0307 0.8547 0.072 Uiso 1 1 calc R U . . .
H13B H 0.2901 1.1100 0.7823 0.072 Uiso 1 1 calc R U . . .
H13C H 0.3715 0.9933 0.8064 0.072 Uiso 1 1 calc R U . . .
C14 C 0.1258(3) 0.9568(3) 0.4051(2) 0.0292(7) Uani 1 1 d . . . . .
H14A H 0.0589 0.9299 0.4472 0.044 Uiso 1 1 calc R U . . .
H14B H 0.0784 0.9769 0.3495 0.044 Uiso 1 1 calc R U . . .
H14C H 0.1822 1.0396 0.4466 0.044 Uiso 1 1 calc R U . . .
C15 C 0.2353(3) 0.9079(3) 0.2045(2) 0.0244(6) Uani 1 1 d . . . . .
C16 C 0.1684(3) 0.8554(3) 0.1093(2) 0.0289(7) Uani 1 1 d . . . . .
H16 H 0.1381 0.7598 0.0828 0.035 Uiso 1 1 calc R U . . .
C17 C 0.1455(3) 0.9410(4) 0.0527(2) 0.0339(7) Uani 1 1 d . . . . .
H17 H 0.0989 0.9040 -0.0120 0.041 Uiso 1 1 calc R U . . .
C18 C 0.1899(3) 1.0795(4) 0.0895(3) 0.0339(7) Uani 1 1 d . . . . .
H18 H 0.1745 1.1378 0.0502 0.041 Uiso 1 1 calc R U . . .
C19 C 0.2570(3) 1.1333(3) 0.1842(3) 0.0341(7) Uani 1 1 d . . . . .
H19 H 0.2883 1.2287 0.2098 0.041 Uiso 1 1 calc R U . . .
C20 C 0.2785(3) 1.0483(3) 0.2413(2) 0.0299(7) Uani 1 1 d . . . . .
H20 H 0.3233 1.0863 0.3067 0.036 Uiso 1 1 calc R U . . .
C21 C 0.4372(3) 0.4747(3) 0.1907(2) 0.0238(6) Uani 1 1 d . . . . .
C22 C 0.3997(3) 0.4148(3) 0.0876(2) 0.0292(7) Uani 1 1 d . . . . .
H22 H 0.3329 0.4541 0.0576 0.035 Uiso 1 1 calc R U . . .
C23 C 0.4591(4) 0.2987(3) 0.0288(2) 0.0354(7) Uani 1 1 d . . . . .
H23 H 0.4319 0.2580 -0.0410 0.043 Uiso 1 1 calc R U . . .
C24 C 0.5575(4) 0.2419(3) 0.0712(3) 0.0390(8) Uani 1 1 d . . . . .
H24 H 0.5983 0.1624 0.0306 0.047 Uiso 1 1 calc R U . . .
C25 C 0.5967(3) 0.3009(3) 0.1727(3) 0.0368(8) Uani 1 1 d . . . . .
H25 H 0.6644 0.2615 0.2018 0.044 Uiso 1 1 calc R U . . .
C26 C 0.5380(3) 0.4171(3) 0.2322(2) 0.0294(6) Uani 1 1 d . . . . .
H26 H 0.5666 0.4579 0.3018 0.035 Uiso 1 1 calc R U . . .
O1 O 0.8664(5) 0.4899(5) 0.0737(3) 0.0973(13) Uani 1 1 d . . . . .
C27 C 0.8209(6) 0.6141(6) 0.1305(4) 0.0757(15) Uani 1 1 d . . . . .
H27A H 0.7204 0.6045 0.1323 0.091 Uiso 1 1 calc R U . . .
H27B H 0.8456 0.6856 0.0991 0.091 Uiso 1 1 calc R U . . .
C28 C 0.8803(6) 0.6558(6) 0.2309(4) 0.0734(14) Uani 1 1 d . . . . .
H28A H 0.8101 0.6881 0.2807 0.088 Uiso 1 1 calc R U . . .
H28B H 0.9517 0.7326 0.2411 0.088 Uiso 1 1 calc R U . . .
C29 C 0.9393(7) 0.5361(6) 0.2442(4) 0.0874(19) Uani 1 1 d . . . . .
H29A H 0.8775 0.4889 0.2795 0.105 Uiso 1 1 calc R U . . .
H29B H 1.0282 0.5630 0.2829 0.105 Uiso 1 1 calc R U . . .
C30 C 0.9559(7) 0.4449(6) 0.1357(5) 0.0908(18) Uani 1 1 d . . . . .
H30A H 1.0512 0.4550 0.1168 0.109 Uiso 1 1 calc R U . . .
H30B H 0.9319 0.3463 0.1277 0.109 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
Au1 P1 2.2040(7) . ?
Au1 Cl1 2.2674(8) . ?
Au1 Au1 3.2960(2) 2_666 ?
P1 C1 1.715(3) . ?
P1 C5 1.721(3) . ?
C1 C2 1.391(4) . ?
C1 C6 1.504(4) . ?
C2 C3 1.412(4) . ?
C2 C14 1.508(4) . ?
C3 C4 1.399(4) . ?
C3 C15 1.489(4) . ?
C4 C5 1.379(4) . ?
C4 H4 0.9500 . ?
C5 C21 1.477(4) . ?
C6 C11 1.395(4) . ?
C6 C7 1.396(4) . ?
C7 C8 1.409(4) . ?
C7 C12 1.491(5) . ?
C8 C9 1.383(5) . ?
C8 C13 1.505(5) . ?
C9 C10 1.368(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.387(4) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.388(4) . ?
C15 C20 1.391(4) . ?
C16 C17 1.384(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.376(5) . ?
C17 H17 0.9500 . ?
C18 C19 1.384(5) . ?
C18 H18 0.9500 . ?
C19 C20 1.382(4) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C26 1.393(4) . ?
C21 C22 1.396(4) . ?
C22 C23 1.383(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.377(5) . ?
C23 H23 0.9500 . ?
C24 C25 1.380(5) . ?
C24 H24 0.9500 . ?
C25 C26 1.384(4) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
O1 C27 1.373(6) . ?
O1 C30 1.418(7) . ?
C27 C28 1.422(6) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.453(8) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.519(8) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?

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
P1 Au1 Cl1 174.82(3) . . ?
P1 Au1 Au1 98.29(2) . 2_666 ?
Cl1 Au1 Au1 86.79(2) . 2_666 ?
C1 P1 C5 107.26(14) . . ?
C1 P1 Au1 123.67(10) . . ?
C5 P1 Au1 128.20(10) . . ?
C2 C1 C6 122.1(2) . . ?
C2 C1 P1 122.2(2) . . ?
C6 C1 P1 115.7(2) . . ?
C1 C2 C3 122.3(3) . . ?
C1 C2 C14 117.8(2) . . ?
C3 C2 C14 119.9(3) . . ?
C4 C3 C2 122.5(3) . . ?
C4 C3 C15 116.6(2) . . ?
C2 C3 C15 121.0(2) . . ?
C5 C4 C3 127.7(3) . . ?
C5 C4 H4 116.1 . . ?
C3 C4 H4 116.1 . . ?
C4 C5 C21 122.0(2) . . ?
C4 C5 P1 118.0(2) . . ?
C21 C5 P1 120.0(2) . . ?
C11 C6 C7 120.8(3) . . ?
C11 C6 C1 119.1(3) . . ?
C7 C6 C1 120.0(3) . . ?
C6 C7 C8 118.9(3) . . ?
C6 C7 C12 120.8(3) . . ?
C8 C7 C12 120.3(3) . . ?
C9 C8 C7 119.0(3) . . ?
C9 C8 C13 120.5(3) . . ?
C7 C8 C13 120.5(3) . . ?
C10 C9 C8 121.9(3) . . ?
C10 C9 H9 119.1 . . ?
C8 C9 H9 119.1 . . ?
C9 C10 C11 120.1(3) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C10 C11 C6 119.3(3) . . ?
C10 C11 H11 120.3 . . ?
C6 C11 H11 120.3 . . ?
C7 C12 H12A 109.5 . . ?
C7 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C7 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C2 C14 H14A 109.5 . . ?
C2 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C2 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 C20 118.4(3) . . ?
C16 C15 C3 120.1(3) . . ?
C20 C15 C3 121.4(3) . . ?
C17 C16 C15 120.6(3) . . ?
C17 C16 H16 119.7 . . ?
C15 C16 H16 119.7 . . ?
C18 C17 C16 120.5(3) . . ?
C18 C17 H17 119.8 . . ?
C16 C17 H17 119.8 . . ?
C17 C18 C19 119.6(3) . . ?
C17 C18 H18 120.2 . . ?
C19 C18 H18 120.2 . . ?
C20 C19 C18 120.1(3) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C19 C20 C15 120.8(3) . . ?
C19 C20 H20 119.6 . . ?
C15 C20 H20 119.6 . . ?
C26 C21 C22 118.5(3) . . ?
C26 C21 C5 122.0(3) . . ?
C22 C21 C5 119.5(3) . . ?
C23 C22 C21 120.6(3) . . ?
C23 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
C24 C23 C22 120.2(3) . . ?
C24 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
C23 C24 C25 119.9(3) . . ?
C23 C24 H24 120.1 . . ?
C25 C24 H24 120.1 . . ?
C24 C25 C26 120.4(3) . . ?
C24 C25 H25 119.8 . . ?
C26 C25 H25 119.8 . . ?
C25 C26 C21 120.4(3) . . ?
C25 C26 H26 119.8 . . ?
C21 C26 H26 119.8 . . ?
C27 O1 C30 109.0(4) . . ?
O1 C27 C28 110.0(4) . . ?
O1 C27 H27A 109.7 . . ?
C28 C27 H27A 109.7 . . ?
O1 C27 H27B 109.7 . . ?
C28 C27 H27B 109.7 . . ?
H27A C27 H27B 108.2 . . ?
C27 C28 C29 107.4(4) . . ?
C27 C28 H28A 110.2 . . ?
C29 C28 H28A 110.2 . . ?
C27 C28 H28B 110.2 . . ?
C29 C28 H28B 110.2 . . ?
H28A C28 H28B 108.5 . . ?
C28 C29 C30 102.6(4) . . ?
C28 C29 H29A 111.2 . . ?
C30 C29 H29A 111.2 . . ?
C28 C29 H29B 111.2 . . ?
C30 C29 H29B 111.2 . . ?
H29A C29 H29B 109.2 . . ?
O1 C30 C29 106.4(5) . . ?
O1 C30 H30A 110.5 . . ?
C29 C30 H30A 110.5 . . ?
O1 C30 H30B 110.5 . . ?
C29 C30 H30B 110.5 . . ?
H30A C30 H30B 108.6 . . ?

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 P1 C1 C2 0.6(3) . . . . ?
Au1 P1 C1 C2 -169.5(2) . . . . ?
C5 P1 C1 C6 177.8(2) . . . . ?
Au1 P1 C1 C6 7.8(3) . . . . ?
C6 C1 C2 C3 179.8(3) . . . . ?
P1 C1 C2 C3 -3.1(4) . . . . ?
C6 C1 C2 C14 -3.8(4) . . . . ?
P1 C1 C2 C14 173.3(2) . . . . ?
C1 C2 C3 C4 3.3(5) . . . . ?
C14 C2 C3 C4 -173.1(3) . . . . ?
C1 C2 C3 C15 -178.5(3) . . . . ?
C14 C2 C3 C15 5.2(4) . . . . ?
C2 C3 C4 C5 -0.4(5) . . . . ?
C15 C3 C4 C5 -178.7(3) . . . . ?
C3 C4 C5 C21 176.4(3) . . . . ?
C3 C4 C5 P1 -2.2(4) . . . . ?
C1 P1 C5 C4 1.9(3) . . . . ?
Au1 P1 C5 C4 171.39(18) . . . . ?
C1 P1 C5 C21 -176.7(2) . . . . ?
Au1 P1 C5 C21 -7.2(3) . . . . ?
C2 C1 C6 C11 99.7(4) . . . . ?
P1 C1 C6 C11 -77.6(3) . . . . ?
C2 C1 C6 C7 -79.4(4) . . . . ?
P1 C1 C6 C7 103.3(3) . . . . ?
C11 C6 C7 C8 -0.8(4) . . . . ?
C1 C6 C7 C8 178.3(3) . . . . ?
C11 C6 C7 C12 178.8(3) . . . . ?
C1 C6 C7 C12 -2.1(4) . . . . ?
C6 C7 C8 C9 -0.5(4) . . . . ?
C12 C7 C8 C9 179.9(3) . . . . ?
C6 C7 C8 C13 179.7(3) . . . . ?
C12 C7 C8 C13 0.1(4) . . . . ?
C7 C8 C9 C10 1.1(5) . . . . ?
C13 C8 C9 C10 -179.1(3) . . . . ?
C8 C9 C10 C11 -0.5(5) . . . . ?
C9 C10 C11 C6 -0.8(5) . . . . ?
C7 C6 C11 C10 1.4(5) . . . . ?
C1 C6 C11 C10 -177.7(3) . . . . ?
C4 C3 C15 C16 55.0(4) . . . . ?
C2 C3 C15 C16 -123.3(3) . . . . ?
C4 C3 C15 C20 -123.3(3) . . . . ?
C2 C3 C15 C20 58.3(4) . . . . ?
C20 C15 C16 C17 0.0(4) . . . . ?
C3 C15 C16 C17 -178.4(3) . . . . ?
C15 C16 C17 C18 0.6(5) . . . . ?
C16 C17 C18 C19 -0.5(5) . . . . ?
C17 C18 C19 C20 -0.3(5) . . . . ?
C18 C19 C20 C15 1.0(5) . . . . ?
C16 C15 C20 C19 -0.8(5) . . . . ?
C3 C15 C20 C19 177.6(3) . . . . ?
C4 C5 C21 C26 142.3(3) . . . . ?
P1 C5 C21 C26 -39.1(4) . . . . ?
C4 C5 C21 C22 -38.2(4) . . . . ?
P1 C5 C21 C22 140.4(3) . . . . ?
C26 C21 C22 C23 1.7(5) . . . . ?
C5 C21 C22 C23 -177.9(3) . . . . ?
C21 C22 C23 C24 -0.9(5) . . . . ?
C22 C23 C24 C25 0.2(5) . . . . ?
C23 C24 C25 C26 -0.2(5) . . . . ?
C24 C25 C26 C21 1.0(5) . . . . ?
C22 C21 C26 C25 -1.7(5) . . . . ?
C5 C21 C26 C25 177.8(3) . . . . ?
C30 O1 C27 C28 0.8(7) . . . . ?
O1 C27 C28 C29 -14.4(7) . . . . ?
C27 C28 C29 C30 20.7(7) . . . . ?
C27 O1 C30 C29 12.4(7) . . . . ?
C28 C29 C30 O1 -20.2(7) . . . . ?

_refine_diff_density_max         1.459
_refine_diff_density_min         -1.280
_refine_diff_density_rms         0.098

