# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_exp_11
_database_code_depnum_ccdc_archive 'CCDC 2117349'
loop_
_audit_author_name
_audit_author_address
'Chip Nataro'
;Lafayette College
United States of America
;
_audit_update_record             
;
2021-10-22 deposited with the CCDC.	2022-10-24 downloaded from the CCDC.
;
_audit_creation_date             2021-10-22
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.10.07 svn.r9718050b for OlexSys, GUI svn.r6410)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C34 H28 Au2 Cl2 P2 Ru'
_chemical_formula_sum            'C34 H28 Au2 Cl2 P2 Ru'
_chemical_formula_weight         1064.41
_chemical_melting_point          ?
_chemical_oxdiff_formula         C34H28Au2Cl2P2Ru
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   8.7596(7)
_cell_length_b                   16.7100(12)
_cell_length_c                   10.6881(7)
_cell_angle_alpha                90
_cell_angle_beta                 94.805(6)
_cell_angle_gamma                90
_cell_volume                     1559.0(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9265
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      30.6500
_cell_measurement_theta_min      2.2830
_shelx_estimated_absorpt_T_max   0.220
_shelx_estimated_absorpt_T_min   0.091
_exptl_absorpt_coefficient_mu    10.164
_exptl_absorpt_correction_T_max  0.229
_exptl_absorpt_correction_T_min  0.056
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.118a (Rigaku Oxford Diffraction, 2021)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.268
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             996
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 0 1 0.2258
-1 0 -2 0.2349
2 0 -1 0.1636
-1 1 0 0.1808
-1 -23 -2 0.0889
1 3 -15 0.1780
12 -7 -2 0.1619
2 -23 1 0.1099
-3 23 2 0.0814
3 -11 -13 0.1668
-2 17 10 0.1527
-10 -14 1 0.1383
8 11 -9 0.1970
-6 -7 13 0.2255

_exptl_crystal_recrystallization_method 
'Crystals of the compound were grown by vapor diffusion of diethyl ether in a solution of the compound in methylene chloride at room temperature.'
_exptl_crystal_size_max          0.453
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.214
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-0.0005 0.0004 1.0043 -0.0065 -0.0112 -0.0656
-1.0020 -0.0005 -2.0115 0.0222 0.1031 0.1236
2.0066 -0.0010 -0.9986 -0.0120 -0.1502 0.0806
-1.0036 1.0035 -0.0037 -0.0329 0.0859 -0.0042
-1.2348 -23.2542 -1.7005 0.9997 -0.0000 0.0250
1.0237 2.5719 -14.9917 -0.0210 0.0988 0.9949
11.7519 -7.1387 -1.8732 0.2042 -0.9605 0.1892
2.1880 -23.0776 1.1418 0.9425 -0.3062 -0.1336
-2.7112 22.7476 2.3515 -0.9463 0.3075 -0.0995
3.2228 -11.3170 -12.9199 0.5292 -0.1720 0.8309
-2.3442 17.2336 10.0856 -0.7677 0.1632 -0.6196
-10.0756 -13.5893 0.9874 0.6574 0.7301 -0.1867
8.4212 10.6786 -9.4825 -0.4652 -0.5166 0.7189
-6.1654 -7.3603 12.7770 0.2838 0.3151 -0.9056

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0378
_diffrn_reflns_av_unetI/netI     0.0335
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.945
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            15987
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.945
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.568
_diffrn_reflns_theta_min         2.268
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.945
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     82.00 110.00   0.50   10.25    --   20.00  54.00   0.00   56
  2  ω    -74.00 101.00   0.50   10.25    --   20.00  54.00 120.00  350
  3  ω    -74.00  -2.00   0.50   10.25    --   20.00  54.00  60.00  144
  4  ω     36.00  64.00   0.50   10.25    --   20.00  54.00  60.00   56
  5  ω     71.00 101.00   0.50   10.25    --   20.00  54.00  60.00   60
  6  ω    -56.00 -31.00   0.50   10.25    --   20.00  54.00-180.00   50
  7  ω     -1.00  24.00   0.50   10.25    --   20.00  54.00-180.00   50
  8  ω    -48.00 -23.00   0.50   10.25    --   20.00  54.00 -90.00   50
  9  ω     20.00  45.00   0.50   10.25    --   20.00  54.00 -90.00   50
 10  ω    -71.00 -46.00   0.50   10.25    --   20.00  54.00  90.00   50
 11  ω    -66.00 -40.00   0.50   10.25    --   20.00  54.00 150.00   52
 12  ω    -71.00  43.00   0.50   10.25    --   20.00  54.00   0.00  228
;
_diffrn_measurement_device       'two-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Mini II'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0091857000
_diffrn_orient_matrix_UB_12      -0.0420311000
_diffrn_orient_matrix_UB_13      -0.0064366000
_diffrn_orient_matrix_UB_21      -0.0804250000
_diffrn_orient_matrix_UB_22      0.0050904000
_diffrn_orient_matrix_UB_23      -0.0112113000
_diffrn_orient_matrix_UB_31      0.0076922000
_diffrn_orient_matrix_UB_32      0.0032900000
_diffrn_orient_matrix_UB_33      -0.0652726000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3961
_reflns_number_total             4527
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.118a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.118a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.118a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         1.247
_refine_diff_density_min         -1.433
_refine_diff_density_rms         0.165
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     187
_refine_ls_number_reflns         4527
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0317
_refine_ls_R_factor_gt           0.0251
_refine_ls_restrained_S_all      1.103
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0283P)²+1.9397P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0620
_refine_ls_wR_factor_ref         0.0636
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C7(H7), C8(H8), C9(H9), C10(H10), C11(H11),
 C13(H13), C14(H14), C15(H15), C16(H16), C17(H17)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.42905(2) 0.39914(2) 0.87037(2) 0.01585(5) Uani 1 1 d . . . . .
Ru1 Ru 0.500000 0.500000 0.500000 0.01519(8) Uani 1 2 d S . P . .
Cl1 Cl 0.30770(12) 0.44437(6) 1.03732(8) 0.02355(19) Uani 1 1 d . . . . .
P1 P 0.52297(11) 0.33803(6) 0.70913(8) 0.01444(17) Uani 1 1 d . . . . .
C1 C 0.4604(4) 0.3783(2) 0.5590(3) 0.0165(7) Uani 1 1 d . . . . .
C2 C 0.5416(5) 0.3763(2) 0.4479(3) 0.0218(8) Uani 1 1 d . . . . .
H2 H 0.640622 0.354275 0.441593 0.026 Uiso 1 1 calc R U . . .
C3 C 0.4480(6) 0.4129(3) 0.3490(4) 0.0272(9) Uani 1 1 d . . . . .
H3 H 0.473711 0.419800 0.265070 0.033 Uiso 1 1 calc R U . . .
C4 C 0.3087(5) 0.4376(3) 0.3978(4) 0.0274(9) Uani 1 1 d . . . . .
H4 H 0.225648 0.463722 0.351656 0.033 Uiso 1 1 calc R U . . .
C5 C 0.3151(5) 0.4164(2) 0.5270(4) 0.0224(8) Uani 1 1 d . . . . .
H5 H 0.237432 0.425799 0.582212 0.027 Uiso 1 1 calc R U . . .
C6 C 0.4529(4) 0.2360(2) 0.7092(3) 0.0155(7) Uani 1 1 d . . . . .
C7 C 0.4748(5) 0.1929(3) 0.8217(4) 0.0226(8) Uani 1 1 d . . . . .
H7 H 0.531869 0.215743 0.892350 0.027 Uiso 1 1 calc R U . . .
C8 C 0.4136(5) 0.1175(3) 0.8297(4) 0.0283(9) Uani 1 1 d . . . . .
H8 H 0.428178 0.088508 0.906291 0.034 Uiso 1 1 calc R U . . .
C9 C 0.3314(5) 0.0835(3) 0.7279(4) 0.0289(9) Uani 1 1 d . . . . .
H9 H 0.289617 0.031348 0.734028 0.035 Uiso 1 1 calc R U . . .
C10 C 0.3101(6) 0.1257(3) 0.6166(4) 0.0305(10) Uani 1 1 d . . . . .
H10 H 0.253312 0.102259 0.546313 0.037 Uiso 1 1 calc R U . . .
C11 C 0.3703(5) 0.2019(3) 0.6062(4) 0.0245(8) Uani 1 1 d . . . . .
H11 H 0.355300 0.230480 0.529274 0.029 Uiso 1 1 calc R U . . .
C12 C 0.7293(4) 0.3288(2) 0.7159(3) 0.0154(7) Uani 1 1 d . . . . .
C13 C 0.7964(4) 0.2646(2) 0.6569(3) 0.0197(7) Uani 1 1 d . . . . .
H13 H 0.734633 0.226621 0.609942 0.024 Uiso 1 1 calc R U . . .
C14 C 0.9549(5) 0.2573(3) 0.6681(4) 0.0238(8) Uani 1 1 d . . . . .
H14 H 1.002277 0.214405 0.627812 0.029 Uiso 1 1 calc R U . . .
C15 C 1.0442(5) 0.3126(3) 0.7379(4) 0.0262(9) Uani 1 1 d . . . . .
H15 H 1.152438 0.306569 0.746425 0.031 Uiso 1 1 calc R U . . .
C16 C 0.9784(5) 0.3758(3) 0.7947(4) 0.0282(9) Uani 1 1 d . . . . .
H16 H 1.040654 0.413665 0.841428 0.034 Uiso 1 1 calc R U . . .
C17 C 0.8202(5) 0.3842(2) 0.7839(4) 0.0199(7) Uani 1 1 d . . . . .
H17 H 0.774092 0.427963 0.823080 0.024 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 Cl1 2.2810(9) . ?
Au1 P1 2.2198(9) . ?
Ru1 C1 2.165(4) 3_666 ?
Ru1 C1 2.165(4) . ?
Ru1 C2 2.179(4) . ?
Ru1 C2 2.179(4) 3_666 ?
Ru1 C3 2.192(4) 3_666 ?
Ru1 C3 2.192(4) . ?
Ru1 C4 2.187(4) . ?
Ru1 C4 2.187(4) 3_666 ?
Ru1 C5 2.176(4) . ?
Ru1 C5 2.176(4) 3_666 ?
P1 C1 1.784(4) . ?
P1 C6 1.812(4) . ?
P1 C12 1.810(4) . ?
C1 C2 1.434(5) . ?
C1 C5 1.439(6) . ?
C2 H2 0.9500 . ?
C2 C3 1.421(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.428(7) . ?
C4 H4 0.9500 . ?
C4 C5 1.422(6) . ?
C5 H5 0.9500 . ?
C6 C7 1.402(5) . ?
C6 C11 1.388(5) . ?
C7 H7 0.9500 . ?
C7 C8 1.375(6) . ?
C8 H8 0.9500 . ?
C8 C9 1.376(7) . ?
C9 H9 0.9500 . ?
C9 C10 1.382(6) . ?
C10 H10 0.9500 . ?
C10 C11 1.386(6) . ?
C11 H11 0.9500 . ?
C12 C13 1.398(5) . ?
C12 C17 1.386(5) . ?
C13 H13 0.9500 . ?
C13 C14 1.389(6) . ?
C14 H14 0.9500 . ?
C14 C15 1.387(6) . ?
C15 H15 0.9500 . ?
C15 C16 1.369(6) . ?
C16 H16 0.9500 . ?
C16 C17 1.388(6) . ?
C17 H17 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
P1 Au1 Cl1 170.79(4) . . ?
C1 Ru1 C1 180.0(2) 3_666 . ?
C1 Ru1 C2 141.45(14) 3_666 . ?
C1 Ru1 C2 38.55(14) . . ?
C1 Ru1 C2 38.55(14) 3_666 3_666 ?
C1 Ru1 C2 141.45(14) . 3_666 ?
C1 Ru1 C3 115.94(14) 3_666 . ?
C1 Ru1 C3 64.06(14) 3_666 3_666 ?
C1 Ru1 C3 64.06(14) . . ?
C1 Ru1 C3 115.94(14) . 3_666 ?
C1 Ru1 C4 115.92(15) 3_666 . ?
C1 Ru1 C4 115.92(15) . 3_666 ?
C1 Ru1 C4 64.08(15) . . ?
C1 Ru1 C4 64.08(15) 3_666 3_666 ?
C1 Ru1 C5 38.70(15) . . ?
C1 Ru1 C5 38.70(15) 3_666 3_666 ?
C1 Ru1 C5 141.30(15) . 3_666 ?
C1 Ru1 C5 141.30(15) 3_666 . ?
C2 Ru1 C2 180.0 . 3_666 ?
C2 Ru1 C3 37.93(15) . . ?
C2 Ru1 C3 142.07(15) . 3_666 ?
C2 Ru1 C3 142.07(15) 3_666 . ?
C2 Ru1 C3 37.93(15) 3_666 3_666 ?
C2 Ru1 C4 63.74(17) . . ?
C2 Ru1 C4 116.26(17) 3_666 . ?
C2 Ru1 C4 116.26(17) . 3_666 ?
C2 Ru1 C4 63.74(17) 3_666 3_666 ?
C3 Ru1 C3 180.0 . 3_666 ?
C4 Ru1 C3 38.05(17) 3_666 3_666 ?
C4 Ru1 C3 141.95(17) 3_666 . ?
C4 Ru1 C3 141.95(17) . 3_666 ?
C4 Ru1 C3 38.05(17) . . ?
C4 Ru1 C4 180.00(19) . 3_666 ?
C5 Ru1 C2 64.37(16) . . ?
C5 Ru1 C2 64.37(16) 3_666 3_666 ?
C5 Ru1 C2 115.63(16) . 3_666 ?
C5 Ru1 C2 115.63(16) 3_666 . ?
C5 Ru1 C3 63.94(17) 3_666 3_666 ?
C5 Ru1 C3 63.94(17) . . ?
C5 Ru1 C3 116.06(17) 3_666 . ?
C5 Ru1 C3 116.06(17) . 3_666 ?
C5 Ru1 C4 38.05(15) . . ?
C5 Ru1 C4 141.95(15) . 3_666 ?
C5 Ru1 C4 141.95(15) 3_666 . ?
C5 Ru1 C4 38.05(15) 3_666 3_666 ?
C5 Ru1 C5 180.0 3_666 . ?
C1 P1 Au1 114.76(13) . . ?
C1 P1 C6 106.06(17) . . ?
C1 P1 C12 107.40(17) . . ?
C6 P1 Au1 106.56(11) . . ?
C12 P1 Au1 116.24(12) . . ?
C12 P1 C6 104.90(17) . . ?
P1 C1 Ru1 124.86(19) . . ?
C2 C1 Ru1 71.3(2) . . ?
C2 C1 P1 126.8(3) . . ?
C2 C1 C5 107.7(3) . . ?
C5 C1 Ru1 71.1(2) . . ?
C5 C1 P1 125.5(3) . . ?
Ru1 C2 H2 124.0 . . ?
C1 C2 Ru1 70.2(2) . . ?
C1 C2 H2 126.0 . . ?
C3 C2 Ru1 71.5(2) . . ?
C3 C2 C1 108.1(4) . . ?
C3 C2 H2 126.0 . . ?
Ru1 C3 H3 124.3 . . ?
C2 C3 Ru1 70.5(2) . . ?
C2 C3 H3 126.0 . . ?
C2 C3 C4 108.1(4) . . ?
C4 C3 Ru1 70.8(2) . . ?
C4 C3 H3 126.0 . . ?
Ru1 C4 H4 124.1 . . ?
C3 C4 Ru1 71.2(2) . . ?
C3 C4 H4 125.7 . . ?
C5 C4 Ru1 70.6(2) . . ?
C5 C4 C3 108.5(4) . . ?
C5 C4 H4 125.7 . . ?
Ru1 C5 H5 123.8 . . ?
C1 C5 Ru1 70.2(2) . . ?
C1 C5 H5 126.2 . . ?
C4 C5 Ru1 71.4(2) . . ?
C4 C5 C1 107.6(4) . . ?
C4 C5 H5 126.2 . . ?
C7 C6 P1 117.5(3) . . ?
C11 C6 P1 122.7(3) . . ?
C11 C6 C7 119.6(3) . . ?
C6 C7 H7 120.0 . . ?
C8 C7 C6 119.9(4) . . ?
C8 C7 H7 120.0 . . ?
C7 C8 H8 119.7 . . ?
C7 C8 C9 120.6(4) . . ?
C9 C8 H8 119.7 . . ?
C8 C9 H9 120.2 . . ?
C8 C9 C10 119.6(4) . . ?
C10 C9 H9 120.2 . . ?
C9 C10 H10 119.6 . . ?
C9 C10 C11 120.8(4) . . ?
C11 C10 H10 119.6 . . ?
C6 C11 H11 120.3 . . ?
C10 C11 C6 119.4(4) . . ?
C10 C11 H11 120.3 . . ?
C13 C12 P1 120.2(3) . . ?
C17 C12 P1 119.5(3) . . ?
C17 C12 C13 120.3(4) . . ?
C12 C13 H13 120.6 . . ?
C14 C13 C12 118.9(4) . . ?
C14 C13 H13 120.6 . . ?
C13 C14 H14 119.9 . . ?
C15 C14 C13 120.2(4) . . ?
C15 C14 H14 119.9 . . ?
C14 C15 H15 119.6 . . ?
C16 C15 C14 120.8(4) . . ?
C16 C15 H15 119.6 . . ?
C15 C16 H16 120.1 . . ?
C15 C16 C17 119.7(4) . . ?
C17 C16 H16 120.1 . . ?
C12 C17 C16 120.1(4) . . ?
C12 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 P1 C1 Ru1 60.5(2) . . . . ?
Au1 P1 C1 C2 152.4(3) . . . . ?
Au1 P1 C1 C5 -30.1(4) . . . . ?
Au1 P1 C6 C7 -51.6(3) . . . . ?
Au1 P1 C6 C11 123.8(3) . . . . ?
Au1 P1 C12 C13 151.0(3) . . . . ?
Au1 P1 C12 C17 -26.7(3) . . . . ?
Ru1 C1 C2 C3 -61.8(3) . . . . ?
Ru1 C1 C5 C4 62.0(3) . . . . ?
Ru1 C2 C3 C4 -61.2(3) . . . . ?
Ru1 C3 C4 C5 -61.0(3) . . . . ?
Ru1 C4 C5 C1 -61.2(3) . . . . ?
P1 C1 C2 Ru1 -120.0(3) . . . . ?
P1 C1 C2 C3 178.2(3) . . . . ?
P1 C1 C5 Ru1 119.8(3) . . . . ?
P1 C1 C5 C4 -178.2(3) . . . . ?
P1 C6 C7 C8 175.0(3) . . . . ?
P1 C6 C11 C10 -174.9(3) . . . . ?
P1 C12 C13 C14 -177.4(3) . . . . ?
P1 C12 C17 C16 177.0(3) . . . . ?
C1 P1 C6 C7 -174.3(3) . . . . ?
C1 P1 C6 C11 1.1(4) . . . . ?
C1 P1 C12 C13 -79.0(3) . . . . ?
C1 P1 C12 C17 103.4(3) . . . . ?
C1 C2 C3 Ru1 61.0(3) . . . . ?
C1 C2 C3 C4 -0.2(5) . . . . ?
C2 C1 C5 Ru1 -62.2(3) . . . . ?
C2 C1 C5 C4 -0.2(4) . . . . ?
C2 C3 C4 Ru1 61.0(3) . . . . ?
C2 C3 C4 C5 0.0(5) . . . . ?
C3 C4 C5 Ru1 61.4(3) . . . . ?
C3 C4 C5 C1 0.1(5) . . . . ?
C5 C1 C2 Ru1 62.1(3) . . . . ?
C5 C1 C2 C3 0.2(4) . . . . ?
C6 P1 C1 Ru1 177.9(2) . . . . ?
C6 P1 C1 C2 -90.3(4) . . . . ?
C6 P1 C1 C5 87.3(4) . . . . ?
C6 P1 C12 C13 33.6(3) . . . . ?
C6 P1 C12 C17 -144.1(3) . . . . ?
C6 C7 C8 C9 0.4(7) . . . . ?
C7 C6 C11 C10 0.4(6) . . . . ?
C7 C8 C9 C10 -0.1(7) . . . . ?
C8 C9 C10 C11 0.0(7) . . . . ?
C9 C10 C11 C6 -0.1(7) . . . . ?
C11 C6 C7 C8 -0.5(6) . . . . ?
C12 P1 C1 Ru1 -70.4(3) . . . . ?
C12 P1 C1 C2 21.5(4) . . . . ?
C12 P1 C1 C5 -161.0(3) . . . . ?
C12 P1 C6 C7 72.2(3) . . . . ?
C12 P1 C6 C11 -112.4(3) . . . . ?
C12 C13 C14 C15 0.7(6) . . . . ?
C13 C12 C17 C16 -0.7(6) . . . . ?
C13 C14 C15 C16 -1.2(6) . . . . ?
C14 C15 C16 C17 0.8(6) . . . . ?
C15 C16 C17 C12 0.1(6) . . . . ?
C17 C12 C13 C14 0.3(5) . . . . ?


_olex2_exptl_crystal_mounting_method 'Crystals were mounted using Paratone oil.'
_olex2_submission_original_sample_id C34HH28Au2Cl2P2Ru
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.200
_oxdiff_exptl_absorpt_empirical_full_min 0.528
####################################################################### 
# 
# 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_[(aucl)2(dppo)]
_database_code_depnum_ccdc_archive 'CCDC 2117377'
loop_
_audit_author_name
_audit_author_address
'Chip Nataro'
;Lafayette College
United States of America
;
_audit_update_record             
;
2021-10-22 deposited with the CCDC.	2022-10-24 downloaded from the CCDC.
;
_audit_creation_date             2021-10-22
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.10.07 svn.r9718050b for OlexSys, GUI svn.r6410)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C34 H28 Au2 Cl2 Os P2'
_chemical_formula_sum            'C34 H28 Au2 Cl2 Os P2'
_chemical_formula_weight         1153.54
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Os Os -1.2165 7.6030 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   8.7482(2)
_cell_length_b                   16.7111(5)
_cell_length_c                   10.6925(3)
_cell_angle_alpha                90
_cell_angle_beta                 94.880(2)
_cell_angle_gamma                90
_cell_volume                     1557.49(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9378
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      30.5020
_cell_measurement_theta_min      2.2900
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    13.764
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.21520
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.118a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.460
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1060
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 0 1 0.1400
-2 0 -1 0.1154
1 0 -1 0.1689
0 22 5 0.1298
-6 -20 -2 0.1480
8 -15 -8 0.1371
0 -24 0 0.0921
0 24 0 0.0965
5 -21 -3 0.0649

_exptl_crystal_size_max          0.517
_exptl_crystal_size_mid          0.412
_exptl_crystal_size_min          0.188
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0448
_diffrn_reflns_av_unetI/netI     0.0423
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.946
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            15974
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.946
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.556
_diffrn_reflns_theta_min         2.267
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.946
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     85.00 110.00   0.50   12.54    --   20.00  54.00 -53.60   50
  2  ω    -74.00 -14.00   0.50   12.54    --   20.00  54.00   0.00  120
  3  ω     50.00  98.00   0.50   12.54    --   20.00  54.00   0.00   96
  4  ω    -71.00 -35.00   0.50   12.54    --   20.00  54.00-180.00   72
  5  ω    -27.00   3.00   0.50   12.54    --   20.00  54.00-180.00   60
  6  ω      8.00  68.00   0.50   12.54    --   20.00  54.00-180.00  120
  7  ω    -74.00 -15.00   0.50   12.54    --   20.00  54.00 120.00  118
  8  ω     40.00  77.00   0.50   12.54    --   20.00  54.00 120.00   74
  9  ω    -63.00  80.00   0.50   12.54    --   20.00  54.00  30.00  286
 10  ω    -72.00  28.00   0.50   12.54    --   20.00  54.00 -53.60  200
;
_diffrn_measurement_device       'two-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Mini II'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3940
_reflns_number_total             4523
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.118a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.118a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.118a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.844
_refine_diff_density_min         -2.059
_refine_diff_density_rms         0.259
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     187
_refine_ls_number_reflns         4523
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0394
_refine_ls_R_factor_gt           0.0321
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0482P)²+0.5030P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0791
_refine_ls_wR_factor_ref         0.0814
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C7(H7), C8(H8), C9(H9), C10(H10), C11(H11),
 C13(H13), C14(H14), C15(H15), C16(H16), C17(H17)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.42844(2) 0.60089(2) 0.87023(2) 0.01479(6) Uani 1 1 d . . . . .
Os1 Os 0.500000 0.500000 0.500000 0.01388(7) Uani 1 2 d S . P . .
Cl1 Cl 0.30705(15) 0.55569(8) 1.03724(11) 0.0228(3) Uani 1 1 d . . . . .
P1 P 0.52236(13) 0.66216(8) 0.70913(11) 0.0132(2) Uani 1 1 d . . . . .
C1 C 0.4604(5) 0.6213(3) 0.5590(4) 0.0153(9) Uani 1 1 d . . . . .
C2 C 0.3138(6) 0.5841(3) 0.5285(5) 0.0211(10) Uani 1 1 d . . . . .
H2 H 0.235793 0.575259 0.583559 0.025 Uiso 1 1 calc R U . . .
C3 C 0.3088(6) 0.5630(4) 0.3968(5) 0.0276(12) Uani 1 1 d . . . . .
H3 H 0.225958 0.536819 0.350316 0.033 Uiso 1 1 calc R U . . .
C4 C 0.4464(7) 0.5874(3) 0.3485(5) 0.0249(12) Uani 1 1 d . . . . .
H4 H 0.471953 0.580475 0.264559 0.030 Uiso 1 1 calc R U . . .
C5 C 0.5406(6) 0.6242(3) 0.4480(5) 0.0209(10) Uani 1 1 d . . . . .
H5 H 0.639278 0.646769 0.441531 0.025 Uiso 1 1 calc R U . . .
C6 C 0.7294(5) 0.6718(3) 0.7153(4) 0.0154(9) Uani 1 1 d . . . . .
C7 C 0.9787(6) 0.6246(4) 0.7949(5) 0.0264(12) Uani 1 1 d . . . . .
H7 H 1.041341 0.587102 0.842260 0.032 Uiso 1 1 calc R U . . .
C8 C 0.8195(6) 0.6153(3) 0.7835(5) 0.0193(10) Uani 1 1 d . . . . .
H8 H 0.773211 0.571201 0.821731 0.023 Uiso 1 1 calc R U . . .
C9 C 1.0451(5) 0.6882(3) 0.7372(5) 0.0240(11) Uani 1 1 d . . . . .
H9 H 1.153463 0.694487 0.745582 0.029 Uiso 1 1 calc R U . . .
C10 C 0.9550(6) 0.7427(3) 0.6674(5) 0.0240(11) Uani 1 1 d . . . . .
H10 H 1.001613 0.785486 0.626154 0.029 Uiso 1 1 calc R U . . .
C11 C 0.7965(5) 0.7350(3) 0.6574(5) 0.0197(10) Uani 1 1 d . . . . .
H11 H 0.734430 0.773128 0.610917 0.024 Uiso 1 1 calc R U . . .
C12 C 0.4521(5) 0.7644(3) 0.7091(5) 0.0161(9) Uani 1 1 d . . . . .
C13 C 0.4735(6) 0.8070(3) 0.8219(5) 0.0199(10) Uani 1 1 d . . . . .
H13 H 0.529881 0.783716 0.892605 0.024 Uiso 1 1 calc R U . . .
C14 C 0.4128(6) 0.8827(3) 0.8306(6) 0.0272(12) Uani 1 1 d . . . . .
H14 H 0.427414 0.911726 0.907087 0.033 Uiso 1 1 calc R U . . .
C15 C 0.3300(7) 0.9164(4) 0.7268(6) 0.0282(12) Uani 1 1 d . . . . .
H15 H 0.287981 0.968606 0.732492 0.034 Uiso 1 1 calc R U . . .
C16 C 0.3087(7) 0.8746(4) 0.6160(6) 0.0289(12) Uani 1 1 d . . . . .
H16 H 0.251739 0.898063 0.545753 0.035 Uiso 1 1 calc R U . . .
C17 C 0.3694(6) 0.7987(3) 0.6055(5) 0.0226(10) Uani 1 1 d . . . . .
H17 H 0.354793 0.770272 0.528462 0.027 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 Cl1 2.2825(12) . ?
Au1 P1 2.2206(12) . ?
Os1 C1 2.159(5) . ?
Os1 C1 2.159(5) 3_666 ?
Os1 C2 2.193(5) 3_666 ?
Os1 C2 2.193(5) . ?
Os1 C3 2.193(5) . ?
Os1 C3 2.193(5) 3_666 ?
Os1 C4 2.201(5) 3_666 ?
Os1 C4 2.202(5) . ?
Os1 C5 2.186(5) 3_666 ?
Os1 C5 2.186(5) . ?
P1 C1 1.786(5) . ?
P1 C6 1.814(5) . ?
P1 C12 1.815(5) . ?
C1 C2 1.437(7) . ?
C1 C5 1.430(7) . ?
C2 H2 0.9500 . ?
C2 C3 1.449(8) . ?
C3 H3 0.9500 . ?
C3 C4 1.409(8) . ?
C4 H4 0.9500 . ?
C4 C5 1.429(8) . ?
C5 H5 0.9500 . ?
C6 C8 1.395(7) . ?
C6 C11 1.381(7) . ?
C7 H7 0.9500 . ?
C7 C8 1.396(7) . ?
C7 C9 1.382(8) . ?
C8 H8 0.9500 . ?
C9 H9 0.9500 . ?
C9 C10 1.381(8) . ?
C10 H10 0.9500 . ?
C10 C11 1.387(7) . ?
C11 H11 0.9500 . ?
C12 C13 1.400(7) . ?
C12 C17 1.395(7) . ?
C13 H13 0.9500 . ?
C13 C14 1.378(7) . ?
C14 H14 0.9500 . ?
C14 C15 1.393(9) . ?
C15 H15 0.9500 . ?
C15 C16 1.375(9) . ?
C16 H16 0.9500 . ?
C16 C17 1.382(8) . ?
C17 H17 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
P1 Au1 Cl1 170.72(5) . . ?
C1 Os1 C1 180.0 3_666 . ?
C1 Os1 C2 141.45(18) 3_666 . ?
C1 Os1 C2 38.55(18) 3_666 3_666 ?
C1 Os1 C2 141.45(18) . 3_666 ?
C1 Os1 C2 38.55(18) . . ?
C1 Os1 C3 64.02(19) 3_666 3_666 ?
C1 Os1 C3 115.98(19) 3_666 . ?
C1 Os1 C3 64.02(19) . . ?
C1 Os1 C3 115.98(19) . 3_666 ?
C1 Os1 C4 64.09(19) 3_666 3_666 ?
C1 Os1 C4 115.91(19) 3_666 . ?
C1 Os1 C4 64.09(19) . . ?
C1 Os1 C4 115.91(19) . 3_666 ?
C1 Os1 C5 141.58(18) 3_666 . ?
C1 Os1 C5 38.42(18) . . ?
C1 Os1 C5 141.58(18) . 3_666 ?
C1 Os1 C5 38.42(18) 3_666 3_666 ?
C2 Os1 C2 180.0(2) . 3_666 ?
C2 Os1 C4 64.1(2) . . ?
C2 Os1 C4 64.1(2) 3_666 3_666 ?
C2 Os1 C4 115.9(2) 3_666 . ?
C2 Os1 C4 115.9(2) . 3_666 ?
C3 Os1 C2 141.4(2) 3_666 . ?
C3 Os1 C2 141.4(2) . 3_666 ?
C3 Os1 C2 38.6(2) . . ?
C3 Os1 C2 38.6(2) 3_666 3_666 ?
C3 Os1 C3 180.0 3_666 . ?
C3 Os1 C4 37.4(2) 3_666 3_666 ?
C3 Os1 C4 142.6(2) . 3_666 ?
C3 Os1 C4 142.6(2) 3_666 . ?
C3 Os1 C4 37.4(2) . . ?
C4 Os1 C4 180.0 3_666 . ?
C5 Os1 C2 115.8(2) . 3_666 ?
C5 Os1 C2 64.2(2) . . ?
C5 Os1 C2 115.8(2) 3_666 . ?
C5 Os1 C2 64.2(2) 3_666 3_666 ?
C5 Os1 C3 63.2(2) . . ?
C5 Os1 C3 63.2(2) 3_666 3_666 ?
C5 Os1 C3 116.8(2) . 3_666 ?
C5 Os1 C3 116.8(2) 3_666 . ?
C5 Os1 C4 142.0(2) . 3_666 ?
C5 Os1 C4 38.0(2) . . ?
C5 Os1 C4 142.0(2) 3_666 . ?
C5 Os1 C4 38.0(2) 3_666 3_666 ?
C5 Os1 C5 180.0(3) . 3_666 ?
C1 P1 Au1 114.63(17) . . ?
C1 P1 C6 107.0(2) . . ?
C1 P1 C12 106.4(2) . . ?
C6 P1 Au1 116.54(16) . . ?
C6 P1 C12 104.7(2) . . ?
C12 P1 Au1 106.64(16) . . ?
P1 C1 Os1 125.3(2) . . ?
C2 C1 Os1 72.0(3) . . ?
C2 C1 P1 124.5(4) . . ?
C5 C1 Os1 71.8(3) . . ?
C5 C1 P1 126.9(4) . . ?
C5 C1 C2 108.5(4) . . ?
Os1 C2 H2 124.5 . . ?
C1 C2 Os1 69.5(3) . . ?
C1 C2 H2 126.9 . . ?
C1 C2 C3 106.1(5) . . ?
C3 C2 Os1 70.7(3) . . ?
C3 C2 H2 126.9 . . ?
Os1 C3 H3 123.9 . . ?
C2 C3 Os1 70.7(3) . . ?
C2 C3 H3 125.4 . . ?
C4 C3 Os1 71.6(3) . . ?
C4 C3 C2 109.3(5) . . ?
C4 C3 H3 125.4 . . ?
Os1 C4 H4 124.2 . . ?
C3 C4 Os1 71.0(3) . . ?
C3 C4 H4 126.0 . . ?
C3 C4 C5 107.9(5) . . ?
C5 C4 Os1 70.4(3) . . ?
C5 C4 H4 126.0 . . ?
Os1 C5 H5 124.3 . . ?
C1 C5 Os1 69.8(3) . . ?
C1 C5 H5 126.0 . . ?
C4 C5 Os1 71.6(3) . . ?
C4 C5 C1 108.1(5) . . ?
C4 C5 H5 126.0 . . ?
C8 C6 P1 118.5(4) . . ?
C11 C6 P1 120.9(4) . . ?
C11 C6 C8 120.6(4) . . ?
C8 C7 H7 120.0 . . ?
C9 C7 H7 120.0 . . ?
C9 C7 C8 120.1(5) . . ?
C6 C8 C7 119.1(5) . . ?
C6 C8 H8 120.5 . . ?
C7 C8 H8 120.5 . . ?
C7 C9 H9 119.8 . . ?
C10 C9 C7 120.4(5) . . ?
C10 C9 H9 119.8 . . ?
C9 C10 H10 120.0 . . ?
C9 C10 C11 120.1(5) . . ?
C11 C10 H10 120.0 . . ?
C6 C11 C10 119.8(5) . . ?
C6 C11 H11 120.1 . . ?
C10 C11 H11 120.1 . . ?
C13 C12 P1 117.3(4) . . ?
C17 C12 P1 122.7(4) . . ?
C17 C12 C13 119.8(5) . . ?
C12 C13 H13 120.0 . . ?
C14 C13 C12 120.1(5) . . ?
C14 C13 H13 120.0 . . ?
C13 C14 H14 120.2 . . ?
C13 C14 C15 119.7(5) . . ?
C15 C14 H14 120.2 . . ?
C14 C15 H15 119.9 . . ?
C16 C15 C14 120.3(5) . . ?
C16 C15 H15 119.9 . . ?
C15 C16 H16 119.6 . . ?
C15 C16 C17 120.8(5) . . ?
C17 C16 H16 119.6 . . ?
C12 C17 H17 120.3 . . ?
C16 C17 C12 119.3(5) . . ?
C16 C17 H17 120.3 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 P1 C1 Os1 -60.3(3) . . . . ?
Au1 P1 C1 C2 31.2(5) . . . . ?
Au1 P1 C1 C5 -153.3(4) . . . . ?
Au1 P1 C6 C8 27.0(4) . . . . ?
Au1 P1 C6 C11 -150.9(4) . . . . ?
Au1 P1 C12 C13 51.2(4) . . . . ?
Au1 P1 C12 C17 -123.9(4) . . . . ?
Os1 C1 C2 C3 -61.6(4) . . . . ?
Os1 C1 C5 C4 61.7(4) . . . . ?
Os1 C2 C3 C4 -61.6(4) . . . . ?
Os1 C3 C4 C5 -61.0(4) . . . . ?
Os1 C4 C5 C1 -60.5(3) . . . . ?
P1 C1 C2 Os1 -120.9(4) . . . . ?
P1 C1 C2 C3 177.5(4) . . . . ?
P1 C1 C5 Os1 120.9(4) . . . . ?
P1 C1 C5 C4 -177.4(4) . . . . ?
P1 C6 C8 C7 -176.5(4) . . . . ?
P1 C6 C11 C10 177.6(4) . . . . ?
P1 C12 C13 C14 -175.2(4) . . . . ?
P1 C12 C17 C16 174.7(4) . . . . ?
C1 P1 C6 C8 -102.8(4) . . . . ?
C1 P1 C6 C11 79.3(5) . . . . ?
C1 P1 C12 C13 174.0(4) . . . . ?
C1 P1 C12 C17 -1.1(5) . . . . ?
C1 C2 C3 Os1 60.8(3) . . . . ?
C1 C2 C3 C4 -0.8(6) . . . . ?
C2 C1 C5 Os1 -63.0(3) . . . . ?
C2 C1 C5 C4 -1.4(6) . . . . ?
C2 C3 C4 Os1 61.0(4) . . . . ?
C2 C3 C4 C5 0.0(6) . . . . ?
C3 C4 C5 Os1 61.4(4) . . . . ?
C3 C4 C5 C1 0.8(6) . . . . ?
C5 C1 C2 Os1 62.9(3) . . . . ?
C5 C1 C2 C3 1.3(6) . . . . ?
C6 P1 C1 Os1 70.6(3) . . . . ?
C6 P1 C1 C2 162.1(4) . . . . ?
C6 P1 C1 C5 -22.4(5) . . . . ?
C6 P1 C12 C13 -72.9(4) . . . . ?
C6 P1 C12 C17 112.0(4) . . . . ?
C7 C9 C10 C11 1.7(8) . . . . ?
C8 C6 C11 C10 -0.2(8) . . . . ?
C8 C7 C9 C10 -0.4(8) . . . . ?
C9 C7 C8 C6 -1.1(8) . . . . ?
C9 C10 C11 C6 -1.4(8) . . . . ?
C11 C6 C8 C7 1.4(8) . . . . ?
C12 P1 C1 Os1 -177.9(3) . . . . ?
C12 P1 C1 C2 -86.4(5) . . . . ?
C12 P1 C1 C5 89.1(5) . . . . ?
C12 P1 C6 C8 144.5(4) . . . . ?
C12 P1 C6 C11 -33.4(5) . . . . ?
C12 C13 C14 C15 0.1(8) . . . . ?
C13 C12 C17 C16 -0.3(7) . . . . ?
C13 C14 C15 C16 0.0(9) . . . . ?
C14 C15 C16 C17 -0.2(9) . . . . ?
C15 C16 C17 C12 0.4(8) . . . . ?
C17 C12 C13 C14 0.0(7) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH2Cl2;Et2O'
