# 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_JB032
_database_code_depnum_ccdc_archive 'CCDC 1436326'
_audit_update_record             
;
2015-11-11 deposited with the CCDC.
2016-01-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C57 H62 Au Cl5 N2 O4 P2 Ru'
_chemical_formula_weight         1376.31

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

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   14.385(3)
_cell_length_b                   25.076(5)
_cell_length_c                   17.318(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 107.02(3)
_cell_angle_gamma                90.00
_cell_volume                     5974(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       prismatic
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.530
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2752
_exptl_absorpt_coefficient_mu    3.028
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19833
_diffrn_reflns_av_R_equivalents  0.0586
_diffrn_reflns_av_sigmaI/netI    0.0797
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.47
_diffrn_reflns_theta_max         24.71
_reflns_number_total             10161
_reflns_number_gt                6406
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Collect(Nonius BV, 1997-2000)'
_computing_cell_refinement       'Denzo and Scalepack(Otwinowski & Minor1997)'
_computing_data_reduction        'Denzo and Scalepack(Otwinowski & Minor1997)'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1270P)²+0.0000P] 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         10161
_refine_ls_number_parameters     643
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1070
_refine_ls_R_factor_gt           0.0548
_refine_ls_wR_factor_ref         0.2066
_refine_ls_wR_factor_gt          0.1491
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_restrained_S_all      1.026
_refine_ls_shift/su_max          0.026
_refine_ls_shift/su_mean         0.002

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.37430(3) 0.640040(17) 0.72158(3) 0.05169(18) Uani 1 1 d . . .
Ru1 Ru 0.03614(6) 0.55560(3) 0.86805(5) 0.0451(2) Uani 1 1 d . . .
P1 P 0.14889(19) 0.59664(11) 0.81244(16) 0.0443(6) Uani 1 1 d . . .
Cl1 Cl 0.14066(19) 0.47872(11) 0.88502(18) 0.0588(7) Uani 1 1 d . . .
C1 C 0.4126(8) 0.6622(5) 0.6210(8) 0.064(3) Uani 1 1 d . . .
N1 N 0.4060(8) 0.7076(5) 0.5823(7) 0.082(3) Uani 1 1 d . . .
O1 O 0.7320(18) 0.0665(7) 0.9342(11) 0.243(12) Uani 1 1 d . . .
P2 P 0.37345(19) 0.61755(12) 0.84938(18) 0.0490(7) Uani 1 1 d . . .
Cl2 Cl 0.1370(2) 0.58638(13) 0.99817(17) 0.0616(7) Uani 1 1 d . . .
C2 C 0.2740(7) 0.5837(5) 0.8727(6) 0.051(3) Uani 1 1 d . . .
H2A H 0.2784 0.5918 0.9284 0.061 Uiso 1 1 calc R . .
H2B H 0.2852 0.5456 0.8700 0.061 Uiso 1 1 calc R . .
N2 N 0.4689(7) 0.6301(4) 0.5885(7) 0.070(3) Uani 1 1 d . . .
O2 O 0.6734(16) 0.1127(9) 1.0205(14) 0.223(10) Uani 1 1 d . . .
Cl3 Cl 0.7207(3) 0.11630(15) 0.9610(2) 0.0835(10) Uani 1 1 d . . .
O3 O 0.6610(12) 0.1464(5) 0.8977(9) 0.140(5) Uani 1 1 d . . .
C3 C 0.4578(12) 0.7074(8) 0.5267(12) 0.117(7) Uani 1 1 d . . .
H3 H 0.4642 0.7354 0.4933 0.141 Uiso 1 1 calc R . .
C4 C 0.4967(11) 0.6588(7) 0.5306(10) 0.099(5) Uani 1 1 d . . .
H4 H 0.5356 0.6465 0.5000 0.119 Uiso 1 1 calc R . .
O4 O 0.8045(12) 0.1393(9) 0.9990(15) 0.233(11) Uani 1 1 d . . .
C11 C -0.0857(8) 0.6050(5) 0.8001(7) 0.058(3) Uani 1 1 d . . .
H11 H -0.0713 0.6387 0.7776 0.070 Uiso 1 1 calc R . .
C12 C -0.0871(8) 0.6044(5) 0.8817(8) 0.064(3) Uani 1 1 d . . .
C13 C -0.0948(8) 0.5538(6) 0.9149(8) 0.071(4) Uani 1 1 d . . .
H13 H -0.0841 0.5511 0.9733 0.086 Uiso 1 1 calc R . .
C14 C -0.0936(8) 0.5075(6) 0.8715(9) 0.071(4) Uani 1 1 d . . .
H14 H -0.0808 0.4741 0.9024 0.085 Uiso 1 1 calc R . .
C15 C -0.0855(8) 0.5058(5) 0.7915(7) 0.062(3) Uani 1 1 d . . .
C16 C -0.0856(8) 0.5570(4) 0.7550(7) 0.053(3) Uani 1 1 d . . .
H16 H -0.0709 0.5592 0.7032 0.064 Uiso 1 1 calc R . .
C17 C -0.0898(12) 0.6569(7) 0.9259(10) 0.103(5) Uani 1 1 d . . .
H17A H -0.1558 0.6653 0.9232 0.155 Uiso 1 1 calc R . .
H17B H -0.0634 0.6849 0.9008 0.155 Uiso 1 1 calc R . .
H17C H -0.0518 0.6535 0.9813 0.155 Uiso 1 1 calc R . .
C18 C -0.0831(10) 0.4549(5) 0.7472(9) 0.076(4) Uani 1 1 d . . .
H18 H -0.0382 0.4310 0.7851 0.091 Uiso 1 1 calc R . .
C19 C -0.0457(13) 0.4603(6) 0.6749(10) 0.104(5) Uani 1 1 d . . .
H19A H -0.0872 0.4839 0.6363 0.155 Uiso 1 1 calc R . .
H19B H -0.0450 0.4259 0.6507 0.155 Uiso 1 1 calc R . .
H19C H 0.0191 0.4745 0.6917 0.155 Uiso 1 1 calc R . .
C20 C -0.1851(12) 0.4301(7) 0.7301(13) 0.119(7) Uani 1 1 d . . .
H20A H -0.2023 0.4277 0.7796 0.179 Uiso 1 1 calc R . .
H20B H -0.1852 0.3951 0.7077 0.179 Uiso 1 1 calc R . .
H20C H -0.2316 0.4521 0.6925 0.179 Uiso 1 1 calc R . .
C21 C 0.1440(7) 0.6701(4) 0.8084(7) 0.049(3) Uani 1 1 d . . .
C22 C 0.1377(10) 0.6970(5) 0.8776(8) 0.068(3) Uani 1 1 d . . .
H22 H 0.1296 0.6774 0.9208 0.082 Uiso 1 1 calc R . .
C23 C 0.1432(12) 0.7505(5) 0.8830(10) 0.087(4) Uani 1 1 d . . .
H23 H 0.1425 0.7674 0.9306 0.104 Uiso 1 1 calc R . .
C24 C 0.1495(13) 0.7791(6) 0.8199(12) 0.101(5) Uani 1 1 d . . .
H24 H 0.1479 0.8162 0.8222 0.122 Uiso 1 1 calc R . .
C25 C 0.1584(12) 0.7543(6) 0.7509(11) 0.095(5) Uani 1 1 d . . .
H25 H 0.1662 0.7746 0.7084 0.114 Uiso 1 1 calc R . .
C26 C 0.1558(10) 0.6996(5) 0.7452(8) 0.073(4) Uani 1 1 d . . .
H26 H 0.1619 0.6828 0.6991 0.087 Uiso 1 1 calc R . .
C31 C 0.1445(8) 0.5720(4) 0.7101(6) 0.050(3) Uani 1 1 d . . .
C32 C 0.2035(9) 0.5320(6) 0.7001(8) 0.069(3) Uani 1 1 d . . .
H32 H 0.2524 0.5196 0.7445 0.083 Uiso 1 1 calc R . .
C33 C 0.1927(10) 0.5097(6) 0.6270(8) 0.076(4) Uani 1 1 d . . .
H33 H 0.2337 0.4821 0.6221 0.091 Uiso 1 1 calc R . .
C34 C 0.1232(12) 0.5270(7) 0.5606(9) 0.090(5) Uani 1 1 d . . .
H34 H 0.1165 0.5116 0.5105 0.108 Uiso 1 1 calc R . .
C35 C 0.0637(11) 0.5672(7) 0.5684(8) 0.088(5) Uani 1 1 d . . .
H35 H 0.0158 0.5795 0.5232 0.106 Uiso 1 1 calc R . .
C36 C 0.0736(8) 0.5901(6) 0.6434(7) 0.064(3) Uani 1 1 d . . .
H36 H 0.0323 0.6175 0.6484 0.077 Uiso 1 1 calc R . .
C41 C 0.3990(8) 0.6747(5) 0.9168(9) 0.070(4) Uani 1 1 d . . .
C42 C 0.4178(11) 0.6667(8) 0.9989(9) 0.097(5) Uani 1 1 d . . .
H42 H 0.4184 0.6320 1.0180 0.117 Uiso 1 1 calc R . .
C43 C 0.4355(18) 0.7076(11) 1.0526(17) 0.148(9) Uani 1 1 d . . .
H43 H 0.4462 0.7020 1.1076 0.178 Uiso 1 1 calc R . .
C44 C 0.4365(16) 0.7554(12) 1.0222(18) 0.145(11) Uani 1 1 d . . .
H44 H 0.4489 0.7836 1.0586 0.174 Uiso 1 1 calc R . .
C45 C 0.4204(14) 0.7686(8) 0.9382(19) 0.139(9) Uani 1 1 d . . .
H45 H 0.4242 0.8033 0.9205 0.167 Uiso 1 1 calc R . .
C46 C 0.3984(10) 0.7248(6) 0.8854(12) 0.099(5) Uani 1 1 d . . .
H46 H 0.3836 0.7298 0.8299 0.118 Uiso 1 1 calc R . .
C51 C 0.4797(7) 0.5735(5) 0.8879(7) 0.054(3) Uani 1 1 d . . .
C52 C 0.5696(8) 0.5940(6) 0.9188(9) 0.077(4) Uani 1 1 d . . .
H52 H 0.5768 0.6307 0.9248 0.092 Uiso 1 1 calc R . .
C53 C 0.6509(10) 0.5623(8) 0.9419(11) 0.101(5) Uani 1 1 d . . .
H53 H 0.7121 0.5778 0.9613 0.121 Uiso 1 1 calc R . .
C54 C 0.6422(10) 0.5091(7) 0.9364(8) 0.080(4) Uani 1 1 d . . .
H54 H 0.6971 0.4876 0.9524 0.096 Uiso 1 1 calc R . .
C55 C 0.5533(11) 0.4872(6) 0.9076(10) 0.096(5) Uani 1 1 d . . .
H55 H 0.5471 0.4504 0.9036 0.115 Uiso 1 1 calc R . .
C56 C 0.4712(10) 0.5189(5) 0.8840(9) 0.082(4) Uani 1 1 d . . .
H56 H 0.4101 0.5032 0.8654 0.098 Uiso 1 1 calc R . .
C61 C 0.3518(11) 0.7524(6) 0.5978(11) 0.081(4) Uani 1 1 d . . .
C62 C 0.2567(13) 0.7585(7) 0.5521(11) 0.095(5) Uani 1 1 d . . .
C63 C 0.2038(13) 0.8014(9) 0.5665(13) 0.112(6) Uani 1 1 d . . .
H63 H 0.1389 0.8050 0.5365 0.134 Uiso 1 1 calc R . .
C64 C 0.2433(13) 0.8368(8) 0.6216(16) 0.115(7) Uani 1 1 d . . .
C65 C 0.3415(14) 0.8315(7) 0.6685(17) 0.141(9) Uani 1 1 d . . .
H65 H 0.3691 0.8560 0.7090 0.170 Uiso 1 1 calc R . .
C66 C 0.3963(12) 0.7888(7) 0.6533(15) 0.117(7) Uani 1 1 d . . .
C67 C 0.5030(13) 0.7850(8) 0.6973(15) 0.152(9) Uani 1 1 d . . .
H67A H 0.5143 0.7553 0.7339 0.228 Uiso 1 1 calc R . .
H67B H 0.5241 0.8173 0.7271 0.228 Uiso 1 1 calc R . .
H67C H 0.5389 0.7800 0.6590 0.228 Uiso 1 1 calc R . .
C68 C 0.2124(15) 0.7201(11) 0.4929(14) 0.155(10) Uani 1 1 d . . .
H68A H 0.1487 0.7322 0.4629 0.233 Uiso 1 1 calc R . .
H68B H 0.2070 0.6869 0.5188 0.233 Uiso 1 1 calc R . .
H68C H 0.2513 0.7152 0.4569 0.233 Uiso 1 1 calc R . .
C69 C 0.1862(14) 0.8838(7) 0.6417(16) 0.144(9) Uani 1 1 d . . .
H69A H 0.1613 0.9055 0.5945 0.216 Uiso 1 1 calc R . .
H69B H 0.2284 0.9048 0.6839 0.216 Uiso 1 1 calc R . .
H69C H 0.1331 0.8705 0.6592 0.216 Uiso 1 1 calc R . .
C71 C 0.4904(9) 0.5750(6) 0.6120(8) 0.068(3) Uani 1 1 d . . .
C72 C 0.5710(9) 0.5645(5) 0.6797(8) 0.068(3) Uani 1 1 d . . .
C73 C 0.5851(11) 0.5116(6) 0.7059(10) 0.086(4) Uani 1 1 d . . .
H73 H 0.6365 0.5029 0.7508 0.103 Uiso 1 1 calc R . .
C74 C 0.5221(12) 0.4722(6) 0.6647(11) 0.084(4) Uani 1 1 d . . .
C75 C 0.4472(11) 0.4842(7) 0.5958(10) 0.090(4) Uani 1 1 d . . .
H75 H 0.4086 0.4569 0.5671 0.108 Uiso 1 1 calc R . .
C76 C 0.4288(10) 0.5361(6) 0.5690(9) 0.074(4) Uani 1 1 d . . .
C77 C 0.3425(11) 0.5484(8) 0.4961(9) 0.104(5) Uani 1 1 d . . .
H77A H 0.3171 0.5158 0.4691 0.156 Uiso 1 1 calc R . .
H77B H 0.3630 0.5712 0.4596 0.156 Uiso 1 1 calc R . .
H77C H 0.2929 0.5660 0.5136 0.156 Uiso 1 1 calc R . .
C78 C 0.6402(10) 0.6058(6) 0.7249(10) 0.087(4) Uani 1 1 d . . .
H78A H 0.6713 0.6226 0.6892 0.131 Uiso 1 1 calc R . .
H78B H 0.6885 0.5893 0.7688 0.131 Uiso 1 1 calc R . .
H78C H 0.6055 0.6321 0.7458 0.131 Uiso 1 1 calc R . .
C79 C 0.5381(15) 0.4145(6) 0.6930(13) 0.128(7) Uani 1 1 d . . .
H79A H 0.5001 0.4070 0.7289 0.191 Uiso 1 1 calc R . .
H79B H 0.6057 0.4090 0.7207 0.191 Uiso 1 1 calc R . .
H79C H 0.5187 0.3911 0.6472 0.191 Uiso 1 1 calc R . .
Cl6 Cl 0.7197(6) 0.8076(3) 0.6210(5) 0.185(3) Uiso 1 1 d . . .
Cl5 Cl 0.8072(15) 0.7596(8) 0.7762(14) 0.429(11) Uiso 1 1 d . . .
C5 C 0.771(3) 0.7520(14) 0.686(2) 0.243(16) Uiso 1 1 d . . .
H5A H 0.7221 0.7242 0.6761 0.292 Uiso 1 1 calc R . .
H5B H 0.8249 0.7384 0.6693 0.292 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 C1 2.052(12) . ?
Au1 P2 2.287(3) . ?
Ru1 C11 2.187(11) . ?
Ru1 C16 2.213(11) . ?
Ru1 C12 2.222(11) . ?
Ru1 C14 2.239(11) . ?
Ru1 C15 2.242(12) . ?
Ru1 C13 2.258(11) . ?
Ru1 P1 2.352(3) . ?
Ru1 Cl1 2.409(3) . ?
Ru1 Cl2 2.422(3) . ?
P1 C2 1.826(10) . ?
P1 C21 1.844(11) . ?
P1 C31 1.859(10) . ?
C1 N1 1.310(15) . ?
C1 N2 1.373(16) . ?
N1 C3 1.379(17) . ?
N1 C61 1.438(18) . ?
O1 Cl3 1.358(15) . ?
P2 C2 1.808(10) . ?
P2 C41 1.818(12) . ?
P2 C51 1.846(11) . ?
N2 C4 1.384(17) . ?
N2 C71 1.449(16) . ?
O2 Cl3 1.394(19) . ?
Cl3 O4 1.324(15) . ?
Cl3 O3 1.399(15) . ?
C3 C4 1.33(2) . ?
C11 C12 1.419(17) . ?
C11 C16 1.436(16) . ?
C12 C13 1.409(18) . ?
C12 C17 1.53(2) . ?
C13 C14 1.387(19) . ?
C14 C15 1.425(18) . ?
C15 C16 1.431(16) . ?
C15 C18 1.495(18) . ?
C18 C19 1.51(2) . ?
C18 C20 1.540(19) . ?
C21 C26 1.372(16) . ?
C21 C22 1.400(16) . ?
C22 C23 1.346(18) . ?
C23 C24 1.33(2) . ?
C24 C25 1.39(2) . ?
C25 C26 1.374(19) . ?
C31 C32 1.360(16) . ?
C31 C36 1.375(16) . ?
C32 C33 1.349(17) . ?
C33 C34 1.36(2) . ?
C34 C35 1.35(2) . ?
C35 C36 1.388(19) . ?
C41 C46 1.37(2) . ?
C41 C42 1.38(2) . ?
C42 C43 1.36(2) . ?
C43 C44 1.31(3) . ?
C44 C45 1.44(3) . ?
C45 C46 1.40(3) . ?
C51 C52 1.348(16) . ?
C51 C56 1.375(17) . ?
C52 C53 1.37(2) . ?
C53 C54 1.34(2) . ?
C54 C55 1.35(2) . ?
C55 C56 1.382(18) . ?
C61 C66 1.34(3) . ?
C61 C62 1.37(2) . ?
C62 C63 1.38(2) . ?
C62 C68 1.41(3) . ?
C63 C64 1.31(3) . ?
C64 C65 1.41(3) . ?
C64 C69 1.53(3) . ?
C65 C66 1.40(3) . ?
C66 C67 1.50(2) . ?
C71 C76 1.380(19) . ?
C71 C72 1.412(18) . ?
C72 C73 1.397(19) . ?
C72 C78 1.489(19) . ?
C73 C74 1.39(2) . ?
C74 C75 1.39(2) . ?
C74 C79 1.52(2) . ?
C75 C76 1.38(2) . ?
C76 C77 1.52(2) . ?
Cl6 C5 1.81(4) . ?
Cl5 C5 1.50(4) . ?

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 P2 165.3(4) . . ?
C11 Ru1 C16 38.1(4) . . ?
C11 Ru1 C12 37.5(4) . . ?
C16 Ru1 C12 68.7(5) . . ?
C11 Ru1 C14 77.1(4) . . ?
C16 Ru1 C14 65.3(4) . . ?
C12 Ru1 C14 66.2(5) . . ?
C11 Ru1 C15 68.5(5) . . ?
C16 Ru1 C15 37.5(4) . . ?
C12 Ru1 C15 82.0(5) . . ?
C14 Ru1 C15 37.1(5) . . ?
C11 Ru1 C13 65.3(4) . . ?
C16 Ru1 C13 77.9(4) . . ?
C12 Ru1 C13 36.6(5) . . ?
C14 Ru1 C13 35.9(5) . . ?
C15 Ru1 C13 67.2(5) . . ?
C11 Ru1 P1 94.1(3) . . ?
C16 Ru1 P1 95.3(3) . . ?
C12 Ru1 P1 118.0(3) . . ?
C14 Ru1 P1 158.0(4) . . ?
C15 Ru1 P1 121.0(3) . . ?
C13 Ru1 P1 154.6(4) . . ?
C11 Ru1 Cl1 153.1(3) . . ?
C16 Ru1 Cl1 115.1(3) . . ?
C12 Ru1 Cl1 156.3(3) . . ?
C14 Ru1 Cl1 93.5(4) . . ?
C15 Ru1 Cl1 88.7(3) . . ?
C13 Ru1 Cl1 119.8(4) . . ?
P1 Ru1 Cl1 85.39(10) . . ?
C11 Ru1 Cl2 119.2(3) . . ?
C16 Ru1 Cl2 157.2(3) . . ?
C12 Ru1 Cl2 90.3(4) . . ?
C14 Ru1 Cl2 115.1(4) . . ?
C15 Ru1 Cl2 151.6(3) . . ?
C13 Ru1 Cl2 90.4(4) . . ?
P1 Ru1 Cl2 86.80(10) . . ?
Cl1 Ru1 Cl2 87.65(11) . . ?
C2 P1 C21 102.7(5) . . ?
C2 P1 C31 103.8(5) . . ?
C21 P1 C31 107.8(5) . . ?
C2 P1 Ru1 111.7(3) . . ?
C21 P1 Ru1 115.4(3) . . ?
C31 P1 Ru1 114.2(4) . . ?
N1 C1 N2 105.2(10) . . ?
N1 C1 Au1 132.3(10) . . ?
N2 C1 Au1 121.7(8) . . ?
C1 N1 C3 112.4(12) . . ?
C1 N1 C61 123.1(11) . . ?
C3 N1 C61 124.5(12) . . ?
C2 P2 C41 104.6(6) . . ?
C2 P2 C51 105.3(5) . . ?
C41 P2 C51 104.5(6) . . ?
C2 P2 Au1 124.1(4) . . ?
C41 P2 Au1 111.7(5) . . ?
C51 P2 Au1 105.0(4) . . ?
P2 C2 P1 120.0(6) . . ?
C1 N2 C4 108.8(11) . . ?
C1 N2 C71 123.2(10) . . ?
C4 N2 C71 128.1(11) . . ?
O4 Cl3 O1 112.7(14) . . ?
O4 Cl3 O2 103.3(16) . . ?
O1 Cl3 O2 109.0(16) . . ?
O4 Cl3 O3 114.5(13) . . ?
O1 Cl3 O3 109.6(9) . . ?
O2 Cl3 O3 107.2(11) . . ?
C4 C3 N1 105.7(13) . . ?
C3 C4 N2 107.8(13) . . ?
C12 C11 C16 122.4(11) . . ?
C12 C11 Ru1 72.6(7) . . ?
C16 C11 Ru1 71.9(6) . . ?
C13 C12 C11 116.2(12) . . ?
C13 C12 C17 123.7(13) . . ?
C11 C12 C17 119.9(12) . . ?
C13 C12 Ru1 73.1(7) . . ?
C11 C12 Ru1 69.9(6) . . ?
C17 C12 Ru1 131.7(10) . . ?
C14 C13 C12 121.2(11) . . ?
C14 C13 Ru1 71.3(7) . . ?
C12 C13 Ru1 70.3(6) . . ?
C13 C14 C15 124.7(12) . . ?
C13 C14 Ru1 72.8(7) . . ?
C15 C14 Ru1 71.6(6) . . ?
C14 C15 C16 114.4(12) . . ?
C14 C15 C18 123.1(12) . . ?
C16 C15 C18 122.4(11) . . ?
C14 C15 Ru1 71.4(7) . . ?
C16 C15 Ru1 70.2(7) . . ?
C18 C15 Ru1 130.4(8) . . ?
C15 C16 C11 120.8(11) . . ?
C15 C16 Ru1 72.4(6) . . ?
C11 C16 Ru1 70.0(6) . . ?
C15 C18 C19 114.7(11) . . ?
C15 C18 C20 106.1(12) . . ?
C19 C18 C20 115.4(14) . . ?
C26 C21 C22 118.5(11) . . ?
C26 C21 P1 123.8(10) . . ?
C22 C21 P1 117.4(8) . . ?
C23 C22 C21 121.5(12) . . ?
C24 C23 C22 119.8(14) . . ?
C23 C24 C25 120.6(13) . . ?
C26 C25 C24 120.2(13) . . ?
C21 C26 C25 119.2(14) . . ?
C32 C31 C36 118.2(11) . . ?
C32 C31 P1 121.2(9) . . ?
C36 C31 P1 120.2(9) . . ?
C33 C32 C31 121.3(13) . . ?
C32 C33 C34 121.2(13) . . ?
C35 C34 C33 119.0(13) . . ?
C34 C35 C36 120.4(13) . . ?
C31 C36 C35 119.9(13) . . ?
C46 C41 C42 121.3(14) . . ?
C46 C41 P2 119.5(12) . . ?
C42 C41 P2 119.2(12) . . ?
C43 C42 C41 122(2) . . ?
C44 C43 C42 116(3) . . ?
C43 C44 C45 127(2) . . ?
C46 C45 C44 115(2) . . ?
C41 C46 C45 119(2) . . ?
C52 C51 C56 117.4(11) . . ?
C52 C51 P2 120.8(10) . . ?
C56 C51 P2 121.7(9) . . ?
C51 C52 C53 122.1(14) . . ?
C54 C53 C52 120.0(14) . . ?
C53 C54 C55 119.4(13) . . ?
C54 C55 C56 120.9(15) . . ?
C51 C56 C55 120.0(13) . . ?
C66 C61 C62 121.5(16) . . ?
C66 C61 N1 119.6(15) . . ?
C62 C61 N1 118.8(17) . . ?
C61 C62 C63 119(2) . . ?
C61 C62 C68 120.3(17) . . ?
C63 C62 C68 120.3(18) . . ?
C64 C63 C62 121.0(19) . . ?
C63 C64 C65 120(2) . . ?
C63 C64 C69 122.7(19) . . ?
C65 C64 C69 117(2) . . ?
C66 C65 C64 119(2) . . ?
C61 C66 C65 118.5(18) . . ?
C61 C66 C67 121.4(18) . . ?
C65 C66 C67 120(2) . . ?
C76 C71 C72 124.0(13) . . ?
C76 C71 N2 118.2(12) . . ?
C72 C71 N2 117.8(13) . . ?
C73 C72 C71 116.8(14) . . ?
C73 C72 C78 118.6(13) . . ?
C71 C72 C78 124.6(12) . . ?
C74 C73 C72 120.0(15) . . ?
C75 C74 C73 120.8(15) . . ?
C75 C74 C79 119.4(17) . . ?
C73 C74 C79 119.8(17) . . ?
C76 C75 C74 121.3(15) . . ?
C71 C76 C75 117.0(14) . . ?
C71 C76 C77 123.0(14) . . ?
C75 C76 C77 120.0(14) . . ?
Cl5 C5 Cl6 120(3) . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        24.71
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         2.560
_refine_diff_density_min         -1.846
_refine_diff_density_rms         0.365
####################################################################### 
# 
# 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_JB033
_database_code_depnum_ccdc_archive 'CCDC 1436327'
_audit_update_record             
;
2015-11-11 deposited with the CCDC.
2016-01-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C62 H72 Au Cl3 N2 O4 P2 Ru'
_chemical_formula_weight         1375.54

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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

_cell_length_a                   21.200(4)
_cell_length_b                   14.090(3)
_cell_length_c                   22.972(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.02(3)
_cell_angle_gamma                90.00
_cell_volume                     6852(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       prismatic
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.333
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2776
_exptl_absorpt_coefficient_mu    2.564
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            42004
_diffrn_reflns_av_R_equivalents  0.0670
_diffrn_reflns_av_sigmaI/netI    0.0539
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.70
_diffrn_reflns_theta_max         24.72
_reflns_number_total             11692
_reflns_number_gt                8869
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Collect(Nonius BV, 1997-2000)'
_computing_cell_refinement       'Denzo and Scalepack(Otwinowski & Minor1997)'
_computing_data_reduction        'Denzo and Scalepack(Otwinowski & Minor1997)'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1565P)²+23.0120P] 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     SHELXL
_refine_ls_extinction_coef       0.0054(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         11692
_refine_ls_number_parameters     683
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0845
_refine_ls_R_factor_gt           0.0657
_refine_ls_wR_factor_ref         0.2056
_refine_ls_wR_factor_gt          0.1929
_refine_ls_goodness_of_fit_ref   0.889
_refine_ls_restrained_S_all      0.889
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.221622(15) 0.56515(2) 0.150229(15) 0.04623(18) Uani 1 1 d . . .
P1 P 0.41792(11) 0.57931(16) 0.23259(11) 0.0480(5) Uani 1 1 d . . .
Cl1 Cl 0.46495(17) 0.4115(2) 0.31844(17) 0.0912(10) Uani 1 1 d . . .
N1 N 0.0801(3) 0.5793(5) 0.1495(3) 0.0511(18) Uani 1 1 d . . .
C1 C 0.1353(4) 0.6250(6) 0.1405(4) 0.049(2) Uani 1 1 d . . .
O1 O 0.8820(9) 0.5289(17) 0.1189(10) 0.238(11) Uani 1 1 d . . .
Ru2 Ru 0.51899(4) 0.53964(6) 0.27213(4) 0.0580(3) Uani 1 1 d . . .
P2 P 0.30964(11) 0.47110(17) 0.15185(11) 0.0490(5) Uani 1 1 d . . .
Cl2 Cl 0.52764(14) 0.4393(2) 0.18805(16) 0.0848(9) Uani 1 1 d . . .
C2 C 0.3730(4) 0.4731(7) 0.2087(4) 0.053(2) Uani 1 1 d . . .
H2A H 0.4040 0.4272 0.1970 0.063 Uiso 1 1 calc R . .
H2B H 0.3551 0.4475 0.2434 0.063 Uiso 1 1 calc R . .
N2 N 0.1151(3) 0.7098(5) 0.1163(4) 0.0536(18) Uani 1 1 d . . .
O2 O 0.7902(8) 0.5784(14) 0.1537(15) 0.271(15) Uani 1 1 d . . .
C3 C 0.0502(5) 0.7173(8) 0.1124(5) 0.068(3) Uani 1 1 d . . .
H3 H 0.0263 0.7686 0.0984 0.082 Uiso 1 1 calc R . .
Cl3 Cl 0.84584(19) 0.5947(4) 0.14460(18) 0.1060(12) Uani 1 1 d . . .
O3 O 0.8771(11) 0.6009(14) 0.2022(8) 0.208(8) Uani 1 1 d . . .
C4 C 0.0287(4) 0.6340(8) 0.1335(5) 0.062(3) Uani 1 1 d . . .
H4 H -0.0134 0.6171 0.1364 0.075 Uiso 1 1 calc R . .
O4 O 0.8537(13) 0.6885(17) 0.1295(12) 0.274(12) Uani 1 1 d . . .
C11 C 0.5339(6) 0.6667(9) 0.3258(6) 0.078(3) Uani 1 1 d . . .
H11 H 0.4969 0.7028 0.3370 0.093 Uiso 1 1 calc R . .
C12 C 0.5580(6) 0.6841(9) 0.2717(7) 0.087(4) Uani 1 1 d . . .
H12 H 0.5376 0.7320 0.2462 0.104 Uiso 1 1 calc R . .
C13 C 0.6034(6) 0.6213(12) 0.2484(5) 0.085(4) Uani 1 1 d . . .
C14 C 0.6243(5) 0.5451(11) 0.2853(7) 0.093(5) Uani 1 1 d . . .
H14 H 0.6496 0.4942 0.2693 0.111 Uiso 1 1 calc R . .
C15 C 0.5977(7) 0.5315(10) 0.3402(6) 0.087(4) Uani 1 1 d . . .
H15 H 0.6052 0.4710 0.3604 0.104 Uiso 1 1 calc R . .
C16 C 0.5535(6) 0.5902(10) 0.3599(6) 0.081(3) Uani 1 1 d . . .
C20 C 0.6304(8) 0.6375(18) 0.1912(7) 0.139(8) Uani 1 1 d . . .
H20A H 0.6283 0.7039 0.1819 0.209 Uiso 1 1 calc R . .
H20B H 0.6068 0.6021 0.1618 0.209 Uiso 1 1 calc R . .
H20C H 0.6737 0.6171 0.1928 0.209 Uiso 1 1 calc R . .
C21 C 0.4132(4) 0.6560(6) 0.1689(4) 0.050(2) Uani 1 1 d . . .
C22 C 0.3576(5) 0.7051(7) 0.1531(5) 0.062(3) Uani 1 1 d . . .
H22 H 0.3236 0.7040 0.1770 0.074 Uiso 1 1 calc R . .
C23 C 0.3540(7) 0.7562(9) 0.1003(6) 0.088(4) Uani 1 1 d . . .
H23 H 0.3174 0.7892 0.0891 0.106 Uiso 1 1 calc R . .
C24 C 0.4038(9) 0.7575(11) 0.0658(6) 0.096(4) Uani 1 1 d . . .
H24 H 0.4002 0.7901 0.0306 0.115 Uiso 1 1 calc R . .
C25 C 0.4570(7) 0.7140(11) 0.0806(6) 0.089(4) Uani 1 1 d . . .
H25 H 0.4909 0.7201 0.0568 0.107 Uiso 1 1 calc R . .
C26 C 0.4643(6) 0.6581(9) 0.1319(5) 0.074(3) Uani 1 1 d . . .
H26 H 0.5012 0.6243 0.1408 0.089 Uiso 1 1 calc R . .
C31 C 0.3341(6) 0.5863(9) 0.3215(5) 0.077(3) Uani 1 1 d . . .
H31 H 0.3299 0.5212 0.3160 0.092 Uiso 1 1 calc R . .
C32 C 0.3696(4) 0.6389(7) 0.2855(5) 0.059(2) Uani 1 1 d . . .
C33 C 0.3788(5) 0.7340(8) 0.2951(5) 0.068(3) Uani 1 1 d . . .
H33 H 0.4032 0.7688 0.2704 0.081 Uiso 1 1 calc R . .
C34 C 0.3520(6) 0.7782(9) 0.3413(6) 0.082(4) Uani 1 1 d . . .
H34 H 0.3593 0.8424 0.3482 0.098 Uiso 1 1 calc R . .
C35 C 0.3147(8) 0.7273(11) 0.3768(7) 0.110(5) Uani 1 1 d . . .
H35 H 0.2966 0.7577 0.4078 0.133 Uiso 1 1 calc R . .
C36 C 0.3035(7) 0.6322(12) 0.3676(7) 0.106(5) Uani 1 1 d . . .
H36 H 0.2767 0.5987 0.3909 0.128 Uiso 1 1 calc R . .
C41 C 0.2805(4) 0.3510(7) 0.1634(4) 0.054(2) Uani 1 1 d . . .
C42 C 0.2902(6) 0.2782(8) 0.1247(6) 0.085(4) Uani 1 1 d . . .
H42 H 0.3130 0.2866 0.0916 0.101 Uiso 1 1 calc R . .
C43 C 0.2626(8) 0.1890(9) 0.1388(8) 0.105(5) Uani 1 1 d . . .
H43 H 0.2702 0.1369 0.1153 0.126 Uiso 1 1 calc R . .
C44 C 0.2264(7) 0.1768(9) 0.1843(8) 0.098(5) Uani 1 1 d . . .
H44 H 0.2072 0.1187 0.1906 0.118 Uiso 1 1 calc R . .
C45 C 0.2187(6) 0.2480(9) 0.2197(7) 0.089(4) Uani 1 1 d . . .
H45 H 0.1950 0.2399 0.2523 0.107 Uiso 1 1 calc R . .
C46 C 0.2452(6) 0.3350(8) 0.2090(5) 0.076(3) Uani 1 1 d . . .
H46 H 0.2384 0.3847 0.2346 0.091 Uiso 1 1 calc R . .
C51 C 0.3139(9) 0.4989(12) 0.0335(6) 0.112(5) Uani 1 1 d . . .
H51 H 0.2722 0.5187 0.0355 0.134 Uiso 1 1 calc R . .
C52 C 0.3478(5) 0.4687(8) 0.0826(5) 0.062(3) Uani 1 1 d . . .
C53 C 0.4067(7) 0.4353(13) 0.0767(7) 0.120(7) Uani 1 1 d . . .
H53 H 0.4306 0.4169 0.1099 0.144 Uiso 1 1 calc R . .
C54 C 0.4325(8) 0.4276(17) 0.0236(9) 0.137(9) Uani 1 1 d . . .
H54 H 0.4717 0.3991 0.0205 0.165 Uiso 1 1 calc R . .
C55 C 0.4013(11) 0.4609(15) -0.0228(8) 0.129(7) Uani 1 1 d . . .
H55 H 0.4191 0.4585 -0.0590 0.155 Uiso 1 1 calc R . .
C56 C 0.3422(12) 0.499(2) -0.0179(8) 0.182(11) Uani 1 1 d . . .
H56 H 0.3213 0.5258 -0.0505 0.219 Uiso 1 1 calc R . .
C61 C 0.1582(5) 0.7861(7) 0.1000(6) 0.067(3) Uani 1 1 d . . .
C62 C 0.1679(5) 0.7995(8) 0.0429(6) 0.073(3) Uani 1 1 d . . .
C63 C 0.2083(7) 0.8753(11) 0.0293(8) 0.099(5) Uani 1 1 d . . .
H63 H 0.2179 0.8842 -0.0094 0.119 Uiso 1 1 calc R . .
C64 C 0.2329(8) 0.9341(11) 0.0691(13) 0.124(8) Uani 1 1 d . . .
H64 H 0.2577 0.9848 0.0580 0.149 Uiso 1 1 calc R . .
C65 C 0.2217(7) 0.9203(9) 0.1267(10) 0.099(5) Uani 1 1 d . . .
H65 H 0.2398 0.9621 0.1541 0.118 Uiso 1 1 calc R . .
C66 C 0.1836(6) 0.8444(8) 0.1467(7) 0.087(4) Uani 1 1 d . . .
C67 C 0.1673(8) 0.8313(10) 0.2078(7) 0.099(4) Uani 1 1 d . . .
H67 H 0.1566 0.7646 0.2144 0.118 Uiso 1 1 calc R . .
C68 C 0.1110(9) 0.895(2) 0.2238(12) 0.196(12) Uani 1 1 d . . .
H68A H 0.1126 0.9055 0.2652 0.295 Uiso 1 1 calc R . .
H68B H 0.0720 0.8650 0.2118 0.295 Uiso 1 1 calc R . .
H68C H 0.1139 0.9554 0.2043 0.295 Uiso 1 1 calc R . .
C69 C 0.2206(9) 0.8608(16) 0.2504(8) 0.141(7) Uani 1 1 d . . .
H69A H 0.2602 0.8404 0.2362 0.212 Uiso 1 1 calc R . .
H69B H 0.2148 0.8322 0.2877 0.212 Uiso 1 1 calc R . .
H69C H 0.2207 0.9287 0.2544 0.212 Uiso 1 1 calc R . .
C70 C 0.1794(9) 0.6445(11) -0.0113(7) 0.112(5) Uani 1 1 d . . .
H70A H 0.2232 0.6600 -0.0143 0.168 Uiso 1 1 calc R . .
H70B H 0.1641 0.6128 -0.0462 0.168 Uiso 1 1 calc R . .
H70C H 0.1747 0.6037 0.0216 0.168 Uiso 1 1 calc R . .
C71 C 0.1414(6) 0.7361(11) -0.0035(6) 0.092(4) Uani 1 1 d . . .
H71 H 0.1006 0.7152 0.0100 0.111 Uiso 1 1 calc R . .
C72 C 0.1257(8) 0.7875(15) -0.0624(7) 0.136(7) Uani 1 1 d . . .
H72A H 0.0933 0.8339 -0.0573 0.203 Uiso 1 1 calc R . .
H72B H 0.1112 0.7420 -0.0911 0.203 Uiso 1 1 calc R . .
H72C H 0.1629 0.8184 -0.0751 0.203 Uiso 1 1 calc R . .
C73 C 0.0758(4) 0.4846(8) 0.1743(4) 0.055(2) Uani 1 1 d . . .
C74 C 0.0722(5) 0.4091(8) 0.1370(5) 0.065(3) Uani 1 1 d . . .
C75 C 0.0652(6) 0.3191(9) 0.1610(6) 0.081(3) Uani 1 1 d . . .
H75 H 0.0602 0.2662 0.1371 0.097 Uiso 1 1 calc R . .
C76 C 0.0660(7) 0.3097(10) 0.2205(7) 0.091(4) Uani 1 1 d . . .
H76 H 0.0627 0.2497 0.2369 0.109 Uiso 1 1 calc R . .
C77 C 0.0715(7) 0.3878(13) 0.2562(6) 0.100(5) Uani 1 1 d . . .
H77 H 0.0728 0.3787 0.2964 0.120 Uiso 1 1 calc R . .
C78 C 0.0752(5) 0.4793(8) 0.2352(5) 0.063(3) Uani 1 1 d . . .
C79 C 0.0822(7) 0.5646(11) 0.2735(5) 0.091(4) Uani 1 1 d . . .
H79 H 0.0797 0.6218 0.2492 0.109 Uiso 1 1 calc R . .
C80 C 0.0305(7) 0.5685(12) 0.3168(7) 0.110(6) Uani 1 1 d . . .
H80A H -0.0090 0.5504 0.2977 0.165 Uiso 1 1 calc R . .
H80B H 0.0273 0.6319 0.3316 0.165 Uiso 1 1 calc R . .
H80C H 0.0406 0.5257 0.3484 0.165 Uiso 1 1 calc R . .
C81 C 0.1476(8) 0.5613(18) 0.3066(8) 0.167(12) Uani 1 1 d . . .
H81A H 0.1466 0.5160 0.3378 0.250 Uiso 1 1 calc R . .
H81B H 0.1576 0.6229 0.3223 0.250 Uiso 1 1 calc R . .
H81C H 0.1790 0.5429 0.2802 0.250 Uiso 1 1 calc R . .
C82 C 0.1302(8) 0.3675(13) 0.0506(6) 0.113(5) Uani 1 1 d . . .
H82A H 0.1670 0.3887 0.0729 0.170 Uiso 1 1 calc R . .
H82B H 0.1345 0.3823 0.0102 0.170 Uiso 1 1 calc R . .
H82C H 0.1256 0.3002 0.0551 0.170 Uiso 1 1 calc R . .
C83 C 0.0728(6) 0.4167(10) 0.0717(5) 0.079(3) Uani 1 1 d . . .
H83 H 0.0764 0.4842 0.0621 0.095 Uiso 1 1 calc R . .
C84 C 0.0140(7) 0.3794(12) 0.0399(6) 0.108(5) Uani 1 1 d . . .
H84A H 0.0093 0.3131 0.0483 0.161 Uiso 1 1 calc R . .
H84B H 0.0172 0.3879 -0.0013 0.161 Uiso 1 1 calc R . .
H84C H -0.0222 0.4134 0.0525 0.161 Uiso 1 1 calc R . .
C17 C 0.5285(10) 0.5702(12) 0.4206(6) 0.108(6) Uani 1 1 d . . .
H17 H 0.5265 0.5015 0.4266 0.130 Uiso 1 1 calc R . .
C19 C 0.4673(10) 0.6111(17) 0.4299(8) 0.136(7) Uani 1 1 d . . .
H19A H 0.4669 0.6764 0.4178 0.204 Uiso 1 1 calc R . .
H19B H 0.4590 0.6075 0.4705 0.204 Uiso 1 1 calc R . .
H19C H 0.4353 0.5767 0.4075 0.204 Uiso 1 1 calc R . .
C18 C 0.5846(13) 0.616(2) 0.4660(7) 0.194(13) Uani 1 1 d . . .
H18A H 0.5821 0.6838 0.4651 0.292 Uiso 1 1 calc R . .
H18B H 0.6253 0.5959 0.4541 0.292 Uiso 1 1 calc R . .
H18C H 0.5787 0.5938 0.5049 0.292 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 C1 2.017(9) . ?
Au1 P2 2.287(2) . ?
P1 C21 1.818(10) . ?
P1 C32 1.833(10) . ?
P1 C2 1.842(9) . ?
P1 Ru2 2.350(2) . ?
Cl1 Ru2 2.415(3) . ?
N1 C1 1.361(11) . ?
N1 C4 1.369(12) . ?
N1 C73 1.455(12) . ?
C1 N2 1.377(11) . ?
O1 Cl3 1.358(15) . ?
Ru2 C11 2.188(11) . ?
Ru2 C12 2.197(12) . ?
Ru2 C13 2.220(11) . ?
Ru2 C16 2.225(13) . ?
Ru2 C15 2.228(12) . ?
Ru2 C14 2.239(11) . ?
Ru2 Cl2 2.409(3) . ?
P2 C52 1.823(10) . ?
P2 C2 1.824(9) . ?
P2 C41 1.826(10) . ?
N2 C3 1.377(13) . ?
N2 C61 1.472(13) . ?
O2 Cl3 1.230(15) . ?
C3 C4 1.358(15) . ?
Cl3 O4 1.38(2) . ?
Cl3 O3 1.451(18) . ?
C11 C16 1.382(18) . ?
C11 C12 1.390(19) . ?
C12 C13 1.43(2) . ?
C13 C14 1.42(2) . ?
C13 C20 1.477(19) . ?
C14 C15 1.42(2) . ?
C15 C16 1.35(2) . ?
C16 C17 1.54(2) . ?
C21 C22 1.397(14) . ?
C21 C26 1.412(14) . ?
C22 C23 1.409(16) . ?
C23 C24 1.35(2) . ?
C24 C25 1.31(2) . ?
C25 C26 1.419(17) . ?
C31 C32 1.365(15) . ?
C31 C36 1.426(18) . ?
C32 C33 1.371(14) . ?
C33 C34 1.377(15) . ?
C34 C35 1.369(19) . ?
C35 C36 1.38(2) . ?
C41 C46 1.338(15) . ?
C41 C42 1.380(15) . ?
C42 C43 1.431(19) . ?
C43 C44 1.34(2) . ?
C44 C45 1.31(2) . ?
C45 C46 1.376(16) . ?
C51 C56 1.35(2) . ?
C51 C52 1.373(19) . ?
C52 C53 1.348(18) . ?
C53 C54 1.37(2) . ?
C54 C55 1.31(3) . ?
C55 C56 1.37(3) . ?
C61 C62 1.352(17) . ?
C61 C66 1.433(17) . ?
C62 C63 1.413(18) . ?
C62 C71 1.48(2) . ?
C63 C64 1.32(3) . ?
C64 C65 1.37(3) . ?
C65 C66 1.43(2) . ?
C66 C67 1.48(2) . ?
C67 C69 1.51(2) . ?
C67 C68 1.56(3) . ?
C70 C71 1.54(2) . ?
C71 C72 1.556(17) . ?
C73 C74 1.365(15) . ?
C73 C78 1.402(14) . ?
C74 C75 1.394(16) . ?
C74 C83 1.503(16) . ?
C75 C76 1.372(19) . ?
C76 C77 1.37(2) . ?
C77 C78 1.38(2) . ?
C78 C79 1.493(16) . ?
C79 C80 1.517(18) . ?
C79 C81 1.55(2) . ?
C82 C83 1.50(2) . ?
C83 C84 1.507(17) . ?
C17 C19 1.45(3) . ?
C17 C18 1.67(2) . ?

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 P2 168.2(3) . . ?
C21 P1 C32 104.6(5) . . ?
C21 P1 C2 103.8(4) . . ?
C32 P1 C2 105.7(4) . . ?
C21 P1 Ru2 117.6(3) . . ?
C32 P1 Ru2 112.5(3) . . ?
C2 P1 Ru2 111.6(3) . . ?
C1 N1 C4 111.8(8) . . ?
C1 N1 C73 124.5(8) . . ?
C4 N1 C73 123.8(8) . . ?
N1 C1 N2 102.8(7) . . ?
N1 C1 Au1 124.6(7) . . ?
N2 C1 Au1 132.0(6) . . ?
C11 Ru2 C12 37.0(5) . . ?
C11 Ru2 C13 67.7(5) . . ?
C12 Ru2 C13 37.9(5) . . ?
C11 Ru2 C16 36.5(5) . . ?
C12 Ru2 C16 66.5(5) . . ?
C13 Ru2 C16 80.0(5) . . ?
C11 Ru2 C15 64.3(5) . . ?
C12 Ru2 C15 77.5(5) . . ?
C13 Ru2 C15 67.4(5) . . ?
C16 Ru2 C15 35.2(5) . . ?
C11 Ru2 C14 77.4(5) . . ?
C12 Ru2 C14 66.2(5) . . ?
C13 Ru2 C14 37.3(5) . . ?
C16 Ru2 C14 65.7(5) . . ?
C15 Ru2 C14 37.1(5) . . ?
C11 Ru2 P1 97.2(3) . . ?
C12 Ru2 P1 96.5(3) . . ?
C13 Ru2 P1 120.8(4) . . ?
C16 Ru2 P1 121.6(4) . . ?
C15 Ru2 P1 156.5(4) . . ?
C14 Ru2 P1 157.9(5) . . ?
C11 Ru2 Cl2 156.6(4) . . ?
C12 Ru2 Cl2 119.7(4) . . ?
C13 Ru2 Cl2 90.6(4) . . ?
C16 Ru2 Cl2 151.5(4) . . ?
C15 Ru2 Cl2 116.5(4) . . ?
C14 Ru2 Cl2 90.6(4) . . ?
P1 Ru2 Cl2 86.33(10) . . ?
C11 Ru2 Cl1 114.9(4) . . ?
C12 Ru2 Cl1 151.9(4) . . ?
C13 Ru2 Cl1 154.6(4) . . ?
C16 Ru2 Cl1 88.9(4) . . ?
C15 Ru2 Cl1 90.4(4) . . ?
C14 Ru2 Cl1 117.3(5) . . ?
P1 Ru2 Cl1 84.49(10) . . ?
Cl2 Ru2 Cl1 88.42(14) . . ?
C52 P2 C2 106.4(5) . . ?
C52 P2 C41 106.2(5) . . ?
C2 P2 C41 98.8(4) . . ?
C52 P2 Au1 113.3(4) . . ?
C2 P2 Au1 124.9(3) . . ?
C41 P2 Au1 104.9(3) . . ?
P2 C2 P1 125.1(5) . . ?
C1 N2 C3 112.4(8) . . ?
C1 N2 C61 123.6(8) . . ?
C3 N2 C61 123.9(8) . . ?
C4 C3 N2 105.3(9) . . ?
O2 Cl3 O1 121.0(16) . . ?
O2 Cl3 O4 110.6(15) . . ?
O1 Cl3 O4 117.8(16) . . ?
O2 Cl3 O3 104.6(19) . . ?
O1 Cl3 O3 101.4(13) . . ?
O4 Cl3 O3 96.6(15) . . ?
C3 C4 N1 107.8(9) . . ?
C16 C11 C12 122.0(13) . . ?
C16 C11 Ru2 73.2(7) . . ?
C12 C11 Ru2 71.9(7) . . ?
C11 C12 C13 120.7(12) . . ?
C11 C12 Ru2 71.1(7) . . ?
C13 C12 Ru2 71.9(7) . . ?
C14 C13 C12 115.8(12) . . ?
C14 C13 C20 121.6(16) . . ?
C12 C13 C20 122.4(16) . . ?
C14 C13 Ru2 72.1(7) . . ?
C12 C13 Ru2 70.2(7) . . ?
C20 C13 Ru2 130.8(10) . . ?
C15 C14 C13 120.3(12) . . ?
C15 C14 Ru2 71.0(7) . . ?
C13 C14 Ru2 70.7(6) . . ?
C16 C15 C14 122.1(13) . . ?
C16 C15 Ru2 72.3(8) . . ?
C14 C15 Ru2 71.9(7) . . ?
C15 C16 C11 118.9(13) . . ?
C15 C16 C17 118.0(14) . . ?
C11 C16 C17 123.1(14) . . ?
C15 C16 Ru2 72.5(8) . . ?
C11 C16 Ru2 70.3(7) . . ?
C17 C16 Ru2 130.4(9) . . ?
C22 C21 C26 119.8(10) . . ?
C22 C21 P1 120.9(7) . . ?
C26 C21 P1 119.0(8) . . ?
C21 C22 C23 118.9(11) . . ?
C24 C23 C22 120.2(13) . . ?
C25 C24 C23 121.9(13) . . ?
C24 C25 C26 122.0(12) . . ?
C21 C26 C25 117.2(11) . . ?
C32 C31 C36 119.4(11) . . ?
C31 C32 C33 120.7(10) . . ?
C31 C32 P1 119.9(8) . . ?
C33 C32 P1 118.4(8) . . ?
C32 C33 C34 120.4(11) . . ?
C35 C34 C33 119.7(11) . . ?
C34 C35 C36 121.3(11) . . ?
C35 C36 C31 118.3(12) . . ?
C46 C41 C42 119.2(11) . . ?
C46 C41 P2 118.5(8) . . ?
C42 C41 P2 122.1(9) . . ?
C41 C42 C43 115.5(13) . . ?
C44 C43 C42 123.2(13) . . ?
C45 C44 C43 118.9(12) . . ?
C44 C45 C46 120.4(13) . . ?
C41 C46 C45 122.7(12) . . ?
C56 C51 C52 118.7(17) . . ?
C53 C52 C51 118.2(12) . . ?
C53 C52 P2 123.4(11) . . ?
C51 C52 P2 118.3(9) . . ?
C52 C53 C54 122.3(17) . . ?
C55 C54 C53 119.4(17) . . ?
C54 C55 C56 119.6(15) . . ?
C51 C56 C55 121.4(19) . . ?
C62 C61 C66 125.1(11) . . ?
C62 C61 N2 118.5(10) . . ?
C66 C61 N2 116.3(11) . . ?
C61 C62 C63 116.4(14) . . ?
C61 C62 C71 122.9(10) . . ?
C63 C62 C71 120.6(13) . . ?
C64 C63 C62 122.9(17) . . ?
C63 C64 C65 119.8(15) . . ?
C64 C65 C66 123.0(16) . . ?
C65 C66 C61 112.6(15) . . ?
C65 C66 C67 124.3(14) . . ?
C61 C66 C67 122.9(12) . . ?
C66 C67 C69 112.1(14) . . ?
C66 C67 C68 111.9(16) . . ?
C69 C67 C68 104.1(14) . . ?
C62 C71 C70 114.2(12) . . ?
C62 C71 C72 113.6(14) . . ?
C70 C71 C72 112.2(14) . . ?
C74 C73 C78 125.6(10) . . ?
C74 C73 N1 118.1(9) . . ?
C78 C73 N1 116.3(9) . . ?
C73 C74 C75 117.5(11) . . ?
C73 C74 C83 124.6(11) . . ?
C75 C74 C83 117.8(11) . . ?
C76 C75 C74 119.1(12) . . ?
C75 C76 C77 120.9(13) . . ?
C76 C77 C78 122.9(12) . . ?
C77 C78 C73 113.7(11) . . ?
C77 C78 C79 123.4(11) . . ?
C73 C78 C79 122.7(10) . . ?
C78 C79 C80 111.3(11) . . ?
C78 C79 C81 108.9(14) . . ?
C80 C79 C81 109.8(13) . . ?
C74 C83 C82 109.9(11) . . ?
C74 C83 C84 114.1(12) . . ?
C82 C83 C84 110.2(12) . . ?
C19 C17 C16 114.5(14) . . ?
C19 C17 C18 111.8(18) . . ?
C16 C17 C18 103.1(14) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        24.72
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         3.800
_refine_diff_density_min         -0.909
_refine_diff_density_rms         0.260

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 0.000 519 186 ' '
2 0.000 0.500 0.500 519 186 ' '
_platon_squeeze_details          
;
;
