#------------------------------------------------------------------------------
#$Date: 2024-03-04 22:12:57 +0200 (Mon, 04 Mar 2024) $
#$Revision: 290163 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/50/7715029.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7715029
loop_
_publ_author_name
'Cesari, Cristiana'
'Bortoluzzi, Marco'
'Femoni, Cristina'
'Forti, Francesca'
'Iapalucci, Maria Carmela'
'Zacchini, Stefano'
_publ_section_title
;
 Peraurated ruthenium hydride carbonyl clusters: aurophilicity, isolobal
 analogy, structural isomerism, and fluxionality.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3865
_journal_page_last               3879
_journal_paper_doi               10.1039/d3dt04282k
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'C84.5 H61 Au4 Cl O12 P4 Ru4'
_chemical_formula_weight         2619.81
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2023-11-02 deposited with the CCDC.	2024-01-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 95.833(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   24.253(2)
_cell_length_b                   14.1328(12)
_cell_length_c                   50.610(4)
_cell_measurement_reflns_used    9769
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.425
_cell_measurement_theta_min      2.556
_cell_volume                     17257(2)
_computing_cell_refinement       'APEX2 (Bruker AXS, 2006)'
_computing_data_collection       'APEX2 (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_molecular_graphics    'SCHAKAL99 (Keller, 1999)'
_computing_publication_material  'XCIF (Bruker AXS, 2001)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'PHOTON2 area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0757
_diffrn_reflns_av_unetI/netI     0.0446
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       60
_diffrn_reflns_limit_l_min       -60
_diffrn_reflns_number            103921
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.049
_diffrn_reflns_theta_max         25.049
_diffrn_reflns_theta_min         1.670
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    7.615
_exptl_absorpt_correction_T_max  0.1660
_exptl_absorpt_correction_T_min  0.0811
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
 Data were corrected for Lorentz polarization and absorption
 effects (empirical absorption corrections SADABS).
 R(int) = 0.1593 (selected reflections only, before parameter refinement)
 R(int) = 0.0794 (selected reflections only, after parameter refinement)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.017
_exptl_crystal_description       plate
_exptl_crystal_F_000             9864
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.080
_refine_diff_density_max         3.530
_refine_diff_density_min         -5.878
_refine_diff_density_rms         0.254
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.140
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     835
_refine_ls_number_reflns         15231
_refine_ls_number_restraints     708
_refine_ls_restrained_S_all      1.143
_refine_ls_R_factor_all          0.0852
_refine_ls_R_factor_gt           0.0771
_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)+(0.0342P)²+1306.0150P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1647
_refine_ls_wR_factor_ref         0.1689
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13581
_reflns_number_total             15231
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt04282k3.cif
_cod_data_source_block           5CH2Cl2
_cod_depositor_comments
'Adding full bibliography for 7715028--7715032.cif.'
_cod_original_cell_volume        17258(3)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C84.50 H61 Au4 Cl O12 P4 Ru4'
_cod_database_code               7715029
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_min   0.298
_shelx_estimated_absorpt_t_max   0.581
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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 0.47967(2) 0.34823(3) 0.37392(2) 0.02297(13) Uani 1 1 d . . . . .
Au2 Au 0.57343(3) 0.36004(6) 0.34485(2) 0.0532(2) Uani 1 1 d . . . . .
Au3 Au 0.48208(4) 0.17634(4) 0.40224(2) 0.0507(2) Uani 1 1 d . . . . .
Au4 Au 0.37846(2) 0.37285(5) 0.34012(2) 0.04016(17) Uani 1 1 d . . . . .
Ru1 Ru 0.46508(9) 0.10637(12) 0.31195(3) 0.0663(5) Uani 1 1 d . . . . .
Ru2 Ru 0.53840(7) 0.17795(10) 0.35602(3) 0.0490(4) Uani 1 1 d . . . . .
Ru3 Ru 0.41166(6) 0.18666(9) 0.35479(2) 0.0399(3) Uani 1 1 d . . . . .
Ru4 Ru 0.47199(5) 0.30933(9) 0.31635(2) 0.0295(3) Uani 1 1 d . . . . .
C1 C 0.4060(14) 0.091(2) 0.2851(7) 0.112(8) Uani 1 1 d . U . . .
C2 C 0.4533(18) -0.021(3) 0.3190(8) 0.147(10) Uani 1 1 d . U . . .
C3 C 0.5178(11) 0.0843(18) 0.2880(5) 0.083(6) Uani 1 1 d . U . . .
C4 C 0.5951(11) 0.164(2) 0.3334(5) 0.094(7) Uani 1 1 d . U . . .
C5 C 0.5429(15) 0.050(2) 0.3634(6) 0.115(8) Uani 1 1 d . U . . .
C6 C 0.5861(11) 0.2034(19) 0.3867(5) 0.084(6) Uani 1 1 d . U . . .
C7 C 0.4127(11) 0.0622(13) 0.3679(4) 0.079(6) Uani 1 1 d . U . . .
C8 C 0.3502(9) 0.1606(18) 0.3295(4) 0.077(6) Uani 1 1 d . U . . .
C9 C 0.3648(9) 0.2330(15) 0.3800(4) 0.066(5) Uani 1 1 d . U . . .
C10 C 0.4113(7) 0.3059(19) 0.2900(3) 0.071(6) Uani 1 1 d . U . . .
C11 C 0.5219(7) 0.2931(14) 0.2904(3) 0.048(4) Uani 1 1 d . U . . .
C12 C 0.4796(9) 0.4426(11) 0.3156(3) 0.052(4) Uani 1 1 d . U . . .
O1 O 0.3691(9) 0.0837(18) 0.2687(4) 0.126(6) Uani 1 1 d . U . . .
O2 O 0.4672(12) -0.1059(19) 0.3265(5) 0.152(8) Uani 1 1 d . U . . .
O3 O 0.5498(8) 0.0672(13) 0.2735(3) 0.097(5) Uani 1 1 d . U . . .
O4 O 0.6308(7) 0.1535(15) 0.3205(3) 0.105(6) Uani 1 1 d . U . . .
O5 O 0.5456(11) -0.0301(15) 0.3681(4) 0.126(6) Uani 1 1 d . U . . .
O6 O 0.6209(7) 0.2110(14) 0.4043(3) 0.101(5) Uani 1 1 d . U . . .
O7 O 0.4097(8) -0.0143(10) 0.3752(3) 0.097(5) Uani 1 1 d . U . . .
O8 O 0.3103(7) 0.1434(14) 0.3168(3) 0.100(6) Uani 1 1 d . U . . .
O9 O 0.3322(6) 0.2481(11) 0.3946(3) 0.074(4) Uani 1 1 d . U . . .
O10 O 0.3763(6) 0.3016(15) 0.2737(3) 0.091(5) Uani 1 1 d . U . . .
O11 O 0.5504(5) 0.2855(10) 0.2738(2) 0.055(3) Uani 1 1 d . U . . .
O12 O 0.4819(7) 0.5210(9) 0.3116(3) 0.069(4) Uani 1 1 d . U . . .
P1 P 0.48621(17) 0.4628(3) 0.40708(7) 0.0326(8) Uani 1 1 d . U . . .
C101 C 0.4460(4) 0.4334(9) 0.43478(18) 0.046(3) Uani 1 1 d G U . . .
C102 C 0.4670(4) 0.4410(9) 0.4613(2) 0.056(3) Uani 1 1 d G U . . .
H102 H 0.5048 0.4577 0.4658 0.067 Uiso 1 1 calc R U . . .
C103 C 0.4329(5) 0.4241(9) 0.48122(16) 0.060(4) Uani 1 1 d G U . . .
H103 H 0.4472 0.4293 0.4993 0.073 Uiso 1 1 calc R U . . .
C104 C 0.3777(5) 0.3997(9) 0.4746(2) 0.060(4) Uani 1 1 d G U . . .
H104 H 0.3543 0.3881 0.4883 0.072 Uiso 1 1 calc R U . . .
C105 C 0.3566(4) 0.3921(10) 0.4481(2) 0.066(4) Uani 1 1 d G U . . .
H105 H 0.3189 0.3753 0.4436 0.079 Uiso 1 1 calc R U . . .
C106 C 0.3908(5) 0.4090(9) 0.42821(17) 0.059(3) Uani 1 1 d G U . . .
H106 H 0.3765 0.4038 0.4101 0.071 Uiso 1 1 calc R U . . .
C111 C 0.4611(5) 0.5774(6) 0.3963(2) 0.046(3) Uani 1 1 d G U . . .
C112 C 0.4327(5) 0.6360(8) 0.41231(19) 0.056(3) Uani 1 1 d G U . . .
H112 H 0.4255 0.6154 0.4295 0.068 Uiso 1 1 calc R U . . .
C113 C 0.4149(6) 0.7248(8) 0.4032(3) 0.069(4) Uani 1 1 d G U . . .
H113 H 0.3955 0.7648 0.4141 0.083 Uiso 1 1 calc R U . . .
C114 C 0.4255(7) 0.7549(7) 0.3781(3) 0.081(4) Uani 1 1 d G U . . .
H114 H 0.4133 0.8156 0.3718 0.098 Uiso 1 1 calc R U . . .
C115 C 0.4539(7) 0.6963(9) 0.3620(2) 0.084(4) Uani 1 1 d G U . . .
H115 H 0.4612 0.7169 0.3449 0.100 Uiso 1 1 calc R U . . .
C116 C 0.4717(6) 0.6075(8) 0.3712(2) 0.069(4) Uani 1 1 d G U . . .
H116 H 0.4912 0.5675 0.3602 0.083 Uiso 1 1 calc R U . . .
C121 C 0.5562(4) 0.4891(8) 0.4226(2) 0.042(3) Uani 1 1 d G U . . .
C122 C 0.5992(5) 0.4251(7) 0.4207(2) 0.062(4) Uani 1 1 d G U . . .
H122 H 0.5929 0.3689 0.4106 0.074 Uiso 1 1 calc R U . . .
C123 C 0.6515(4) 0.4436(9) 0.4336(3) 0.073(4) Uani 1 1 d G U . . .
H123 H 0.6808 0.3999 0.4323 0.088 Uiso 1 1 calc R U . . .
C124 C 0.6607(4) 0.5259(9) 0.4484(3) 0.070(4) Uani 1 1 d G U . . .
H124 H 0.6965 0.5385 0.4572 0.084 Uiso 1 1 calc R U . . .
C125 C 0.6178(5) 0.5898(7) 0.4503(3) 0.067(4) Uani 1 1 d G U . . .
H125 H 0.6241 0.6461 0.4604 0.081 Uiso 1 1 calc R U . . .
C126 C 0.5655(4) 0.5714(7) 0.4374(3) 0.058(3) Uani 1 1 d G U . . .
H126 H 0.5362 0.6151 0.4387 0.069 Uiso 1 1 calc R U . . .
P2 P 0.6473(2) 0.4610(5) 0.34288(11) 0.0669(15) Uani 1 1 d . U . . .
C201 C 0.6770(7) 0.4494(14) 0.3112(3) 0.089(4) Uani 1 1 d G U . . .
C202 C 0.7053(8) 0.5223(11) 0.3000(4) 0.106(5) Uani 1 1 d G U . . .
H202 H 0.7076 0.5829 0.3082 0.127 Uiso 1 1 calc R U . . .
C203 C 0.7303(8) 0.5066(13) 0.2769(4) 0.112(5) Uani 1 1 d G U . . .
H203 H 0.7496 0.5565 0.2692 0.134 Uiso 1 1 calc R U . . .
C204 C 0.7270(8) 0.4180(15) 0.2649(3) 0.114(5) Uani 1 1 d G U . . .
H204 H 0.7440 0.4072 0.2491 0.136 Uiso 1 1 calc R U . . .
C205 C 0.6987(8) 0.3451(11) 0.2761(4) 0.108(5) Uani 1 1 d G U . . .
H205 H 0.6964 0.2845 0.2679 0.130 Uiso 1 1 calc R U . . .
C206 C 0.6737(7) 0.3608(12) 0.2993(4) 0.096(5) Uani 1 1 d G U . . .
H206 H 0.6544 0.3109 0.3069 0.116 Uiso 1 1 calc R U . . .
C211 C 0.7071(5) 0.4313(14) 0.3665(3) 0.084(4) Uani 1 1 d G U . . .
C212 C 0.7158(7) 0.3405(12) 0.3766(4) 0.104(5) Uani 1 1 d G U . . .
H212 H 0.6906 0.2912 0.3711 0.125 Uiso 1 1 calc R U . . .
C213 C 0.7612(8) 0.3219(12) 0.3949(4) 0.113(5) Uani 1 1 d G U . . .
H213 H 0.7671 0.2598 0.4018 0.135 Uiso 1 1 calc R U . . .
C214 C 0.7980(6) 0.3941(15) 0.4031(3) 0.112(5) Uani 1 1 d G U . . .
H214 H 0.8291 0.3814 0.4155 0.134 Uiso 1 1 calc R U . . .
C215 C 0.7894(6) 0.4849(13) 0.3929(4) 0.108(5) Uani 1 1 d G U . . .
H215 H 0.8145 0.5342 0.3985 0.129 Uiso 1 1 calc R U . . .
C216 C 0.7439(7) 0.5035(11) 0.3746(3) 0.098(5) Uani 1 1 d G U . . .
H216 H 0.7380 0.5656 0.3677 0.118 Uiso 1 1 calc R U . . .
C221 C 0.6333(8) 0.5752(11) 0.3488(4) 0.093(4) Uani 1 1 d G U . . .
C222 C 0.6089(8) 0.6259(15) 0.3272(3) 0.116(5) Uani 1 1 d G U . . .
H222 H 0.6053 0.5981 0.3100 0.139 Uiso 1 1 calc R U . . .
C223 C 0.5898(9) 0.7173(15) 0.3307(4) 0.128(6) Uani 1 1 d G U . . .
H223 H 0.5731 0.7520 0.3159 0.154 Uiso 1 1 calc R U . . .
C224 C 0.5951(9) 0.7580(11) 0.3558(5) 0.127(6) Uani 1 1 d G U . . .
H224 H 0.5820 0.8204 0.3582 0.152 Uiso 1 1 calc R U . . .
C225 C 0.6195(9) 0.7072(14) 0.3775(3) 0.121(6) Uani 1 1 d G U . . .
H225 H 0.6231 0.7350 0.3946 0.145 Uiso 1 1 calc R U . . .
C226 C 0.6386(8) 0.6158(14) 0.3739(3) 0.108(5) Uani 1 1 d G U . . .
H226 H 0.6553 0.5811 0.3887 0.129 Uiso 1 1 calc R U . . .
P3 P 0.4914(3) 0.1139(3) 0.44437(9) 0.0587(13) Uani 1 1 d . U . . .
C301 C 0.5200(7) 0.1914(9) 0.4714(2) 0.073(3) Uani 1 1 d G U . . .
C302 C 0.4980(6) 0.1939(9) 0.4957(3) 0.079(4) Uani 1 1 d G U . . .
H302 H 0.4667 0.1563 0.4985 0.095 Uiso 1 1 calc R U . . .
C303 C 0.5219(7) 0.2515(10) 0.51604(19) 0.087(5) Uani 1 1 d G U . . .
H303 H 0.5069 0.2533 0.5326 0.104 Uiso 1 1 calc R U . . .
C304 C 0.5678(7) 0.3066(10) 0.5120(2) 0.097(5) Uani 1 1 d G U . . .
H304 H 0.5842 0.3460 0.5259 0.116 Uiso 1 1 calc R U . . .
C305 C 0.5898(6) 0.3041(11) 0.4877(3) 0.097(5) Uani 1 1 d G U . . .
H305 H 0.6212 0.3417 0.4850 0.116 Uiso 1 1 calc R U . . .
C306 C 0.5659(7) 0.2465(11) 0.4674(2) 0.088(4) Uani 1 1 d G U . . .
H306 H 0.5810 0.2448 0.4508 0.106 Uiso 1 1 calc R U . . .
C311 C 0.5357(6) 0.0115(7) 0.4452(2) 0.062(3) Uani 1 1 d G U . . .
C312 C 0.5225(5) -0.0613(9) 0.4272(2) 0.066(4) Uani 1 1 d G U . . .
H312 H 0.4896 -0.0581 0.4153 0.079 Uiso 1 1 calc R U . . .
C313 C 0.5576(6) -0.1389(7) 0.4265(2) 0.073(4) Uani 1 1 d G U . . .
H313 H 0.5486 -0.1887 0.4142 0.088 Uiso 1 1 calc R U . . .
C314 C 0.6058(6) -0.1437(8) 0.4438(3) 0.077(4) Uani 1 1 d G U . . .
H314 H 0.6298 -0.1967 0.4433 0.093 Uiso 1 1 calc R U . . .
C315 C 0.6190(5) -0.0708(10) 0.4618(3) 0.081(4) Uani 1 1 d G U . . .
H315 H 0.6520 -0.0741 0.4736 0.097 Uiso 1 1 calc R U . . .
C316 C 0.5840(6) 0.0067(8) 0.4625(2) 0.073(4) Uani 1 1 d G U . . .
H316 H 0.5930 0.0565 0.4748 0.088 Uiso 1 1 calc R U . . .
C321 C 0.4268(5) 0.0692(10) 0.4531(3) 0.068(3) Uani 1 1 d G U . . .
C322 C 0.3814(7) 0.1296(8) 0.4502(3) 0.083(4) Uani 1 1 d G U . . .
H322 H 0.3853 0.1920 0.4436 0.100 Uiso 1 1 calc R U . . .
C323 C 0.3302(6) 0.0987(11) 0.4569(3) 0.094(5) Uani 1 1 d G U . . .
H323 H 0.2991 0.1400 0.4549 0.112 Uiso 1 1 calc R U . . .
C324 C 0.3244(5) 0.0075(12) 0.4665(3) 0.091(5) Uani 1 1 d G U . . .
H324 H 0.2894 -0.0136 0.4710 0.109 Uiso 1 1 calc R U . . .
C325 C 0.3699(7) -0.0529(8) 0.4693(3) 0.085(4) Uani 1 1 d G U . . .
H325 H 0.3659 -0.1153 0.4759 0.102 Uiso 1 1 calc R U . . .
C326 C 0.4211(6) -0.0221(9) 0.4627(3) 0.075(4) Uani 1 1 d G U . . .
H326 H 0.4521 -0.0634 0.4646 0.089 Uiso 1 1 calc R U . . .
P4 P 0.3030(2) 0.4719(5) 0.33421(11) 0.0771(17) Uani 1 1 d . U . . .
C401 C 0.2703(7) 0.4959(15) 0.3641(3) 0.091(4) Uani 1 1 d G U . . .
C402 C 0.3021(5) 0.5370(14) 0.3855(3) 0.102(5) Uani 1 1 d G U . . .
H402 H 0.3395 0.5539 0.3839 0.122 Uiso 1 1 calc R U . . .
C403 C 0.2791(7) 0.5534(15) 0.4091(3) 0.110(5) Uani 1 1 d G U . . .
H403 H 0.3008 0.5815 0.4237 0.131 Uiso 1 1 calc R U . . .
C404 C 0.2243(7) 0.5287(16) 0.4114(3) 0.114(5) Uani 1 1 d G U . . .
H404 H 0.2086 0.5400 0.4275 0.136 Uiso 1 1 calc R U . . .
C405 C 0.1925(6) 0.4876(16) 0.3900(4) 0.120(5) Uani 1 1 d G U . . .
H405 H 0.1551 0.4707 0.3915 0.144 Uiso 1 1 calc R U . . .
C406 C 0.2155(6) 0.4712(15) 0.3664(3) 0.114(5) Uani 1 1 d G U . . .
H406 H 0.1938 0.4431 0.3518 0.137 Uiso 1 1 calc R U . . .
C411 C 0.2488(6) 0.4208(13) 0.3090(3) 0.093(4) Uani 1 1 d G U . . .
C412 C 0.2046(8) 0.4775(11) 0.2991(4) 0.107(5) Uani 1 1 d G U . . .
H412 H 0.2030 0.5417 0.3045 0.129 Uiso 1 1 calc R U . . .
C413 C 0.1627(6) 0.4402(14) 0.2814(4) 0.109(5) Uani 1 1 d G U . . .
H413 H 0.1325 0.4789 0.2746 0.131 Uiso 1 1 calc R U . . .
C414 C 0.1651(7) 0.3462(14) 0.2734(4) 0.115(5) Uani 1 1 d G U . . .
H414 H 0.1364 0.3207 0.2613 0.138 Uiso 1 1 calc R U . . .
C415 C 0.2093(8) 0.2895(11) 0.2833(4) 0.114(5) Uani 1 1 d G U . . .
H415 H 0.2109 0.2253 0.2779 0.136 Uiso 1 1 calc R U . . .
C416 C 0.2512(6) 0.3268(13) 0.3010(4) 0.104(5) Uani 1 1 d G U . . .
H416 H 0.2814 0.2881 0.3078 0.125 Uiso 1 1 calc R U . . .
C421 C 0.3219(8) 0.5932(11) 0.3219(4) 0.094(4) Uani 1 1 d G U . . .
C422 C 0.2997(7) 0.6758(15) 0.3314(3) 0.109(5) Uani 1 1 d G U . . .
H422 H 0.2762 0.6727 0.3452 0.131 Uiso 1 1 calc R U . . .
C423 C 0.3119(8) 0.7627(12) 0.3205(4) 0.118(5) Uani 1 1 d G U . . .
H423 H 0.2968 0.8191 0.3270 0.142 Uiso 1 1 calc R U . . .
C424 C 0.3463(9) 0.7672(12) 0.3002(4) 0.120(5) Uani 1 1 d G U . . .
H424 H 0.3547 0.8266 0.2928 0.144 Uiso 1 1 calc R U . . .
C425 C 0.3685(7) 0.6846(15) 0.2907(3) 0.115(5) Uani 1 1 d G U . . .
H425 H 0.3920 0.6877 0.2768 0.138 Uiso 1 1 calc R U . . .
C426 C 0.3562(8) 0.5977(12) 0.3015(4) 0.107(5) Uani 1 1 d G U . . .
H426 H 0.3714 0.5413 0.2951 0.129 Uiso 1 1 calc R U . . .
C501 C 0.5000 0.585(3) 0.2500 0.093(11) Uiso 1 2 d S . P . .
H50A H 0.4971 0.6254 0.2657 0.112 Uiso 0.5 1 calc R U P . .
H50B H 0.5029 0.6254 0.2343 0.112 Uiso 0.5 1 calc R U P . .
Cl1 Cl 0.4406(3) 0.5066(6) 0.24466(16) 0.108(2) Uiso 1 1 d . . . . .
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'
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'
Ru Ru -1.2594 0.8363 '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'
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 Au3 103.70(10) . . ?
P1 Au1 Au2 109.51(10) . . ?
Au3 Au1 Au2 109.77(3) . . ?
P1 Au1 Au4 109.73(11) . . ?
Au3 Au1 Au4 112.35(3) . . ?
Au2 Au1 Au4 111.48(3) . . ?
P1 Au1 Ru3 141.04(10) . . ?
Au3 Au1 Ru3 58.47(3) . . ?
Au2 Au1 Ru3 109.22(3) . . ?
Au4 Au1 Ru3 58.47(3) . . ?
P1 Au1 Ru4 146.57(10) . . ?
Au3 Au1 Ru4 109.72(3) . . ?
Au2 Au1 Ru4 58.15(3) . . ?
Au4 Au1 Ru4 57.95(3) . . ?
Ru3 Au1 Ru4 63.31(3) . . ?
P1 Au1 Ru2 141.35(11) . . ?
Au3 Au1 Ru2 58.22(3) . . ?
Au2 Au1 Ru2 57.13(4) . . ?
Au4 Au1 Ru2 108.84(4) . . ?
Ru3 Au1 Ru2 62.63(5) . . ?
Ru4 Au1 Ru2 62.25(4) . . ?
P2 Au2 Ru2 146.80(18) . . ?
P2 Au2 Ru4 141.23(17) . . ?
Ru2 Au2 Ru4 66.43(4) . . ?
P2 Au2 Au1 136.70(13) . . ?
Ru2 Au2 Au1 64.10(3) . . ?
Ru4 Au2 Au1 62.98(3) . . ?
P3 Au3 Ru3 143.92(17) . . ?
P3 Au3 Au1 142.94(12) . . ?
Ru3 Au3 Au1 62.65(3) . . ?
P3 Au3 Ru2 139.56(15) . . ?
Ru3 Au3 Ru2 66.08(4) . . ?
Au1 Au3 Ru2 63.83(3) . . ?
P4 Au4 Ru4 143.36(14) . . ?
P4 Au4 Ru3 143.3(2) . . ?
Ru4 Au4 Ru3 66.17(4) . . ?
P4 Au4 Au1 140.65(18) . . ?
Ru4 Au4 Au1 62.54(3) . . ?
Ru3 Au4 Au1 61.76(3) . . ?
C2 Ru1 C3 95.2(15) . . ?
C2 Ru1 C1 84.6(17) . . ?
C3 Ru1 C1 91.8(12) . . ?
C2 Ru1 Ru3 98.5(12) . . ?
C3 Ru1 Ru3 160.7(8) . . ?
C1 Ru1 Ru3 102.9(10) . . ?
C2 Ru1 Ru4 163.0(12) . . ?
C3 Ru1 Ru4 100.2(8) . . ?
C1 Ru1 Ru4 101.8(11) . . ?
Ru3 Ru1 Ru4 64.86(5) . . ?
C2 Ru1 Ru2 106.6(13) . . ?
C3 Ru1 Ru2 98.7(8) . . ?
C1 Ru1 Ru2 163.7(11) . . ?
Ru3 Ru1 Ru2 64.42(5) . . ?
Ru4 Ru1 Ru2 64.24(5) . . ?
C5 Ru2 C6 90.0(13) . . ?
C5 Ru2 C4 89.4(13) . . ?
C6 Ru2 C4 95.5(11) . . ?
C5 Ru2 Au2 158.8(11) . . ?
C6 Ru2 Au2 79.4(9) . . ?
C4 Ru2 Au2 73.6(9) . . ?
C5 Ru2 Au3 81.3(10) . . ?
C6 Ru2 Au3 68.0(8) . . ?
C4 Ru2 Au3 160.9(7) . . ?
Au2 Ru2 Au3 111.01(5) . . ?
C5 Ru2 Ru1 80.4(11) . . ?
C6 Ru2 Ru1 170.4(8) . . ?
C4 Ru2 Ru1 85.6(9) . . ?
Au2 Ru2 Ru1 110.06(6) . . ?
Au3 Ru2 Ru1 108.94(7) . . ?
C5 Ru2 Au1 138.4(10) . . ?
C6 Ru2 Au1 82.4(7) . . ?
C4 Ru2 Au1 131.9(9) . . ?
Au2 Ru2 Au1 58.77(3) . . ?
Au3 Ru2 Au1 57.95(3) . . ?
Ru1 Ru2 Au1 103.96(6) . . ?
C5 Ru2 Ru4 137.8(11) . . ?
C6 Ru2 Ru4 131.7(8) . . ?
C4 Ru2 Ru4 91.8(7) . . ?
Au2 Ru2 Ru4 57.24(4) . . ?
Au3 Ru2 Ru4 106.30(5) . . ?
Ru1 Ru2 Ru4 57.72(5) . . ?
Au1 Ru2 Ru4 58.37(3) . . ?
C5 Ru2 Ru3 94.7(11) . . ?
C6 Ru2 Ru3 122.8(8) . . ?
C4 Ru2 Ru3 141.4(8) . . ?
Au2 Ru2 Ru3 106.51(5) . . ?
Au3 Ru2 Ru3 56.64(4) . . ?
Ru1 Ru2 Ru3 57.47(5) . . ?
Au1 Ru2 Ru3 57.73(4) . . ?
Ru4 Ru2 Ru3 60.31(4) . . ?
C7 Ru3 C8 92.1(11) . . ?
C7 Ru3 C9 94.2(9) . . ?
C8 Ru3 C9 92.2(9) . . ?
C7 Ru3 Au3 70.4(7) . . ?
C8 Ru3 Au3 159.1(7) . . ?
C9 Ru3 Au3 78.3(7) . . ?
C7 Ru3 Au4 163.0(8) . . ?
C8 Ru3 Au4 79.7(8) . . ?
C9 Ru3 Au4 71.5(6) . . ?
Au3 Ru3 Au4 113.91(5) . . ?
C7 Ru3 Ru1 84.6(7) . . ?
C8 Ru3 Ru1 78.3(7) . . ?
C9 Ru3 Ru1 170.3(7) . . ?
Au3 Ru3 Ru1 110.11(7) . . ?
Au4 Ru3 Ru1 107.93(6) . . ?
C7 Ru3 Au1 128.9(8) . . ?
C8 Ru3 Au1 138.8(8) . . ?
C9 Ru3 Au1 82.2(6) . . ?
Au3 Ru3 Au1 58.88(3) . . ?
Au4 Ru3 Au1 59.76(3) . . ?
Ru1 Ru3 Au1 106.03(5) . . ?
C7 Ru3 Ru2 88.8(8) . . ?
C8 Ru3 Ru2 136.1(6) . . ?
C9 Ru3 Ru2 131.5(7) . . ?
Au3 Ru3 Ru2 57.28(4) . . ?
Au4 Ru3 Ru2 107.48(5) . . ?
Ru1 Ru3 Ru2 58.11(5) . . ?
Au1 Ru3 Ru2 59.65(4) . . ?
C7 Ru3 Ru4 139.4(7) . . ?
C8 Ru3 Ru4 94.3(6) . . ?
C9 Ru3 Ru4 125.6(6) . . ?
Au3 Ru3 Ru4 106.41(5) . . ?
Au4 Ru3 Ru4 56.78(3) . . ?
Ru1 Ru3 Ru4 57.74(5) . . ?
Au1 Ru3 Ru4 58.80(3) . . ?
Ru2 Ru3 Ru4 59.81(4) . . ?
C10 Ru4 C11 90.9(8) . . ?
C10 Ru4 C12 94.7(10) . . ?
C11 Ru4 C12 92.1(8) . . ?
C10 Ru4 Au2 161.6(7) . . ?
C11 Ru4 Au2 78.4(5) . . ?
C12 Ru4 Au2 71.0(6) . . ?
C10 Ru4 Au4 72.8(6) . . ?
C11 Ru4 Au4 159.3(6) . . ?
C12 Ru4 Au4 77.0(5) . . ?
Au2 Ru4 Au4 113.55(4) . . ?
C10 Ru4 Ru1 83.4(8) . . ?
C11 Ru4 Ru1 82.1(6) . . ?
C12 Ru4 Ru1 173.8(5) . . ?
Au2 Ru4 Ru1 109.52(6) . . ?
Au4 Ru4 Ru1 107.87(5) . . ?
C10 Ru4 Au1 132.0(6) . . ?
C11 Ru4 Au1 136.7(5) . . ?
C12 Ru4 Au1 80.6(5) . . ?
Au2 Ru4 Au1 58.86(3) . . ?
Au4 Ru4 Au1 59.51(3) . . ?
Ru1 Ru4 Au1 105.01(5) . . ?
C10 Ru4 Ru2 140.2(8) . . ?
C11 Ru4 Ru2 92.9(6) . . ?
C12 Ru4 Ru2 124.7(6) . . ?
Au2 Ru4 Ru2 56.33(4) . . ?
Au4 Ru4 Ru2 107.76(4) . . ?
Ru1 Ru4 Ru2 58.03(5) . . ?
Au1 Ru4 Ru2 59.38(3) . . ?
C10 Ru4 Ru3 92.6(6) . . ?
C11 Ru4 Ru3 138.5(6) . . ?
C12 Ru4 Ru3 128.6(5) . . ?
Au2 Ru4 Ru3 105.43(5) . . ?
Au4 Ru4 Ru3 57.05(4) . . ?
Ru1 Ru4 Ru3 57.40(4) . . ?
Au1 Ru4 Ru3 57.89(3) . . ?
Ru2 Ru4 Ru3 59.88(5) . . ?
O1 C1 Ru1 178(3) . . ?
O2 C2 Ru1 156(4) . . ?
O3 C3 Ru1 177(2) . . ?
O4 C4 Ru2 177(2) . . ?
O5 C5 Ru2 180(4) . . ?
O6 C6 Ru2 171(2) . . ?
O7 C7 Ru3 175(3) . . ?
O8 C8 Ru3 172.3(18) . . ?
O9 C9 Ru3 169.5(18) . . ?
O10 C10 Ru4 177(2) . . ?
O11 C11 Ru4 176.7(17) . . ?
O12 C12 Ru4 170.6(17) . . ?
C111 P1 C101 104.3(6) . . ?
C111 P1 C121 102.6(6) . . ?
C101 P1 C121 105.0(6) . . ?
C111 P1 Au1 114.4(4) . . ?
C101 P1 Au1 113.0(4) . . ?
C121 P1 Au1 116.2(4) . . ?
C102 C101 C106 120.0 . . ?
C102 C101 P1 123.3(6) . . ?
C106 C101 P1 116.5(6) . . ?
C103 C102 C101 120.0 . . ?
C103 C102 H102 120.0 . . ?
C101 C102 H102 120.0 . . ?
C104 C103 C102 120.0 . . ?
C104 C103 H103 120.0 . . ?
C102 C103 H103 120.0 . . ?
C103 C104 C105 120.0 . . ?
C103 C104 H104 120.0 . . ?
C105 C104 H104 120.0 . . ?
C106 C105 C104 120.0 . . ?
C106 C105 H105 120.0 . . ?
C104 C105 H105 120.0 . . ?
C105 C106 C101 120.0 . . ?
C105 C106 H106 120.0 . . ?
C101 C106 H106 120.0 . . ?
C112 C111 C116 120.0 . . ?
C112 C111 P1 122.2(6) . . ?
C116 C111 P1 117.8(6) . . ?
C113 C112 C111 120.0 . . ?
C113 C112 H112 120.0 . . ?
C111 C112 H112 120.0 . . ?
C112 C113 C114 120.0 . . ?
C112 C113 H113 120.0 . . ?
C114 C113 H113 120.0 . . ?
C115 C114 C113 120.0 . . ?
C115 C114 H114 120.0 . . ?
C113 C114 H114 120.0 . . ?
C114 C115 C116 120.0 . . ?
C114 C115 H115 120.0 . . ?
C116 C115 H115 120.0 . . ?
C115 C116 C111 120.0 . . ?
C115 C116 H116 120.0 . . ?
C111 C116 H116 120.0 . . ?
C122 C121 C126 120.0 . . ?
C122 C121 P1 120.4(6) . . ?
C126 C121 P1 119.5(6) . . ?
C121 C122 C123 120.0 . . ?
C121 C122 H122 120.0 . . ?
C123 C122 H122 120.0 . . ?
C124 C123 C122 120.0 . . ?
C124 C123 H123 120.0 . . ?
C122 C123 H123 120.0 . . ?
C125 C124 C123 120.0 . . ?
C125 C124 H124 120.0 . . ?
C123 C124 H124 120.0 . . ?
C124 C125 C126 120.0 . . ?
C124 C125 H125 120.0 . . ?
C126 C125 H125 120.0 . . ?
C125 C126 C121 120.0 . . ?
C125 C126 H126 120.0 . . ?
C121 C126 H126 120.0 . . ?
C221 P2 C201 110.3(10) . . ?
C221 P2 C211 105.3(9) . . ?
C201 P2 C211 101.2(8) . . ?
C221 P2 Au2 114.6(7) . . ?
C201 P2 Au2 111.1(6) . . ?
C211 P2 Au2 113.5(7) . . ?
C202 C201 C206 120.0 . . ?
C202 C201 P2 123.0(11) . . ?
C206 C201 P2 116.8(11) . . ?
C201 C202 C203 120.0 . . ?
C201 C202 H202 120.0 . . ?
C203 C202 H202 120.0 . . ?
C204 C203 C202 120.0 . . ?
C204 C203 H203 120.0 . . ?
C202 C203 H203 120.0 . . ?
C203 C204 C205 120.0 . . ?
C203 C204 H204 120.0 . . ?
C205 C204 H204 120.0 . . ?
C206 C205 C204 120.0 . . ?
C206 C205 H205 120.0 . . ?
C204 C205 H205 120.0 . . ?
C205 C206 C201 120.0 . . ?
C205 C206 H206 120.0 . . ?
C201 C206 H206 120.0 . . ?
C212 C211 C216 120.0 . . ?
C212 C211 P2 122.1(11) . . ?
C216 C211 P2 117.9(11) . . ?
C213 C212 C211 120.0 . . ?
C213 C212 H212 120.0 . . ?
C211 C212 H212 120.0 . . ?
C212 C213 C214 120.0 . . ?
C212 C213 H213 120.0 . . ?
C214 C213 H213 120.0 . . ?
C215 C214 C213 120.0 . . ?
C215 C214 H214 120.0 . . ?
C213 C214 H214 120.0 . . ?
C216 C215 C214 120.0 . . ?
C216 C215 H215 120.0 . . ?
C214 C215 H215 120.0 . . ?
C215 C216 C211 120.0 . . ?
C215 C216 H216 120.0 . . ?
C211 C216 H216 120.0 . . ?
C222 C221 C226 120.0 . . ?
C222 C221 P2 115.6(13) . . ?
C226 C221 P2 123.9(13) . . ?
C223 C222 C221 120.0 . . ?
C223 C222 H222 120.0 . . ?
C221 C222 H222 120.0 . . ?
C224 C223 C222 120.0 . . ?
C224 C223 H223 120.0 . . ?
C222 C223 H223 120.0 . . ?
C225 C224 C223 120.0 . . ?
C225 C224 H224 120.0 . . ?
C223 C224 H224 120.0 . . ?
C226 C225 C224 120.0 . . ?
C226 C225 H225 120.0 . . ?
C224 C225 H225 120.0 . . ?
C225 C226 C221 120.0 . . ?
C225 C226 H226 120.0 . . ?
C221 C226 H226 120.0 . . ?
C321 P3 C311 104.3(7) . . ?
C321 P3 C301 107.6(7) . . ?
C311 P3 C301 106.4(7) . . ?
C321 P3 Au3 111.0(5) . . ?
C311 P3 Au3 109.4(5) . . ?
C301 P3 Au3 117.3(5) . . ?
C302 C301 C306 120.0 . . ?
C302 C301 P3 121.7(8) . . ?
C306 C301 P3 118.3(8) . . ?
C303 C302 C301 120.0 . . ?
C303 C302 H302 120.0 . . ?
C301 C302 H302 120.0 . . ?
C304 C303 C302 120.0 . . ?
C304 C303 H303 120.0 . . ?
C302 C303 H303 120.0 . . ?
C305 C304 C303 120.0 . . ?
C305 C304 H304 120.0 . . ?
C303 C304 H304 120.0 . . ?
C306 C305 C304 120.0 . . ?
C306 C305 H305 120.0 . . ?
C304 C305 H305 120.0 . . ?
C305 C306 C301 120.0 . . ?
C305 C306 H306 120.0 . . ?
C301 C306 H306 120.0 . . ?
C312 C311 C316 120.0 . . ?
C312 C311 P3 118.9(8) . . ?
C316 C311 P3 121.0(8) . . ?
C311 C312 C313 120.0 . . ?
C311 C312 H312 120.0 . . ?
C313 C312 H312 120.0 . . ?
C312 C313 C314 120.0 . . ?
C312 C313 H313 120.0 . . ?
C314 C313 H313 120.0 . . ?
C315 C314 C313 120.0 . . ?
C315 C314 H314 120.0 . . ?
C313 C314 H314 120.0 . . ?
C316 C315 C314 120.0 . . ?
C316 C315 H315 120.0 . . ?
C314 C315 H315 120.0 . . ?
C315 C316 C311 120.0 . . ?
C315 C316 H316 120.0 . . ?
C311 C316 H316 120.0 . . ?
C322 C321 C326 120.0 . . ?
C322 C321 P3 117.5(8) . . ?
C326 C321 P3 122.5(8) . . ?
C321 C322 C323 120.0 . . ?
C321 C322 H322 120.0 . . ?
C323 C322 H322 120.0 . . ?
C324 C323 C322 120.0 . . ?
C324 C323 H323 120.0 . . ?
C322 C323 H323 120.0 . . ?
C323 C324 C325 120.0 . . ?
C323 C324 H324 120.0 . . ?
C325 C324 H324 120.0 . . ?
C326 C325 C324 120.0 . . ?
C326 C325 H325 120.0 . . ?
C324 C325 H325 120.0 . . ?
C325 C326 C321 120.0 . . ?
C325 C326 H326 120.0 . . ?
C321 C326 H326 120.0 . . ?
C401 P4 C411 107.7(9) . . ?
C401 P4 C421 104.3(10) . . ?
C411 P4 C421 107.4(9) . . ?
C401 P4 Au4 114.6(6) . . ?
C411 P4 Au4 110.2(6) . . ?
C421 P4 Au4 112.2(7) . . ?
C402 C401 C406 120.0 . . ?
C402 C401 P4 118.2(10) . . ?
C406 C401 P4 121.7(10) . . ?
C403 C402 C401 120.0 . . ?
C403 C402 H402 120.0 . . ?
C401 C402 H402 120.0 . . ?
C402 C403 C404 120.0 . . ?
C402 C403 H403 120.0 . . ?
C404 C403 H403 120.0 . . ?
C403 C404 C405 120.0 . . ?
C403 C404 H404 120.0 . . ?
C405 C404 H404 120.0 . . ?
C406 C405 C404 120.0 . . ?
C406 C405 H405 120.0 . . ?
C404 C405 H405 120.0 . . ?
C405 C406 C401 120.0 . . ?
C405 C406 H406 120.0 . . ?
C401 C406 H406 120.0 . . ?
C412 C411 C416 120.0 . . ?
C412 C411 P4 118.8(10) . . ?
C416 C411 P4 121.1(10) . . ?
C413 C412 C411 120.0 . . ?
C413 C412 H412 120.0 . . ?
C411 C412 H412 120.0 . . ?
C412 C413 C414 120.0 . . ?
C412 C413 H413 120.0 . . ?
C414 C413 H413 120.0 . . ?
C415 C414 C413 120.0 . . ?
C415 C414 H414 120.0 . . ?
C413 C414 H414 120.0 . . ?
C414 C415 C416 120.0 . . ?
C414 C415 H415 120.0 . . ?
C416 C415 H415 120.0 . . ?
C415 C416 C411 120.0 . . ?
C415 C416 H416 120.0 . . ?
C411 C416 H416 120.0 . . ?
C422 C421 C426 120.0 . . ?
C422 C421 P4 122.0(11) . . ?
C426 C421 P4 117.9(11) . . ?
C423 C422 C421 120.0 . . ?
C423 C422 H422 120.0 . . ?
C421 C422 H422 120.0 . . ?
C422 C423 C424 120.0 . . ?
C422 C423 H423 120.0 . . ?
C424 C423 H423 120.0 . . ?
C425 C424 C423 120.0 . . ?
C425 C424 H424 120.0 . . ?
C423 C424 H424 120.0 . . ?
C426 C425 C424 120.0 . . ?
C426 C425 H425 120.0 . . ?
C424 C425 H425 120.0 . . ?
C425 C426 C421 120.0 . . ?
C425 C426 H426 120.0 . . ?
C421 C426 H426 120.0 . . ?
Cl1 C501 Cl1 105(2) . 2_655 ?
Cl1 C501 H50A 110.7 . . ?
Cl1 C501 H50A 110.7 2_655 . ?
Cl1 C501 H50B 110.7 . . ?
Cl1 C501 H50B 110.7 2_655 . ?
H50A C501 H50B 108.8 . . ?
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 2.325(4) . ?
Au1 Au3 2.8180(8) . ?
Au1 Au2 2.8364(8) . ?
Au1 Au4 2.8671(8) . ?
Au1 Ru3 2.9237(13) . ?
Au1 Ru4 2.9523(12) . ?
Au1 Ru2 2.9838(14) . ?
Au2 P2 2.301(5) . ?
Au2 Ru2 2.7861(18) . ?
Au2 Ru4 2.8151(13) . ?
Au3 P3 2.297(4) . ?
Au3 Ru3 2.8057(15) . ?
Au3 Ru2 2.8262(16) . ?
Au4 P4 2.300(5) . ?
Au4 Ru4 2.8201(13) . ?
Au4 Ru3 2.8288(16) . ?
Ru1 C2 1.87(4) . ?
Ru1 C3 1.88(2) . ?
Ru1 C1 1.89(3) . ?
Ru1 Ru3 2.870(2) . ?
Ru1 Ru4 2.881(2) . ?
Ru1 Ru2 2.890(2) . ?
Ru2 C5 1.84(3) . ?
Ru2 C6 1.88(3) . ?
Ru2 C4 1.89(2) . ?
Ru2 Ru4 3.0685(18) . ?
Ru2 Ru3 3.071(2) . ?
Ru3 C7 1.88(2) . ?
Ru3 C8 1.90(2) . ?
Ru3 C9 1.91(2) . ?
Ru3 Ru4 3.0838(16) . ?
Ru4 C10 1.884(17) . ?
Ru4 C11 1.888(16) . ?
Ru4 C12 1.893(16) . ?
C1 O1 1.16(3) . ?
C2 O2 1.29(4) . ?
C3 O3 1.15(3) . ?
C4 O4 1.14(3) . ?
C5 O5 1.16(3) . ?
C6 O6 1.17(3) . ?
C7 O7 1.15(2) . ?
C8 O8 1.13(2) . ?
C9 O9 1.16(2) . ?
C10 O10 1.12(2) . ?
C11 O11 1.147(18) . ?
C12 O12 1.129(19) . ?
P1 C111 1.796(8) . ?
P1 C101 1.835(8) . ?
P1 C121 1.836(10) . ?
C101 C102 1.3900 . ?
C101 C106 1.3900 . ?
C102 C103 1.3900 . ?
C102 H102 0.9500 . ?
C103 C104 1.3900 . ?
C103 H103 0.9500 . ?
C104 C105 1.3900 . ?
C104 H104 0.9500 . ?
C105 C106 1.3900 . ?
C105 H105 0.9500 . ?
C106 H106 0.9500 . ?
C111 C112 1.3900 . ?
C111 C116 1.3900 . ?
C112 C113 1.3900 . ?
C112 H112 0.9500 . ?
C113 C114 1.3900 . ?
C113 H113 0.9500 . ?
C114 C115 1.3900 . ?
C114 H114 0.9500 . ?
C115 C116 1.3900 . ?
C115 H115 0.9500 . ?
C116 H116 0.9500 . ?
C121 C122 1.3900 . ?
C121 C126 1.3900 . ?
C122 C123 1.3900 . ?
C122 H122 0.9500 . ?
C123 C124 1.3900 . ?
C123 H123 0.9500 . ?
C124 C125 1.3900 . ?
C124 H124 0.9500 . ?
C125 C126 1.3900 . ?
C125 H125 0.9500 . ?
C126 H126 0.9500 . ?
P2 C221 1.681(15) . ?
P2 C201 1.830(13) . ?
P2 C211 1.833(14) . ?
C201 C202 1.3900 . ?
C201 C206 1.3900 . ?
C202 C203 1.3900 . ?
C202 H202 0.9500 . ?
C203 C204 1.3900 . ?
C203 H203 0.9500 . ?
C204 C205 1.3900 . ?
C204 H204 0.9500 . ?
C205 C206 1.3900 . ?
C205 H205 0.9500 . ?
C206 H206 0.9500 . ?
C211 C212 1.3900 . ?
C211 C216 1.3900 . ?
C212 C213 1.3900 . ?
C212 H212 0.9500 . ?
C213 C214 1.3900 . ?
C213 H213 0.9500 . ?
C214 C215 1.3900 . ?
C214 H214 0.9500 . ?
C215 C216 1.3900 . ?
C215 H215 0.9500 . ?
C216 H216 0.9500 . ?
C221 C222 1.3900 . ?
C221 C226 1.3900 . ?
C222 C223 1.3900 . ?
C222 H222 0.9500 . ?
C223 C224 1.3900 . ?
C223 H223 0.9500 . ?
C224 C225 1.3900 . ?
C224 H224 0.9500 . ?
C225 C226 1.3900 . ?
C225 H225 0.9500 . ?
C226 H226 0.9500 . ?
P3 C321 1.785(13) . ?
P3 C311 1.801(10) . ?
P3 C301 1.835(11) . ?
C301 C302 1.3900 . ?
C301 C306 1.3900 . ?
C302 C303 1.3900 . ?
C302 H302 0.9500 . ?
C303 C304 1.3900 . ?
C303 H303 0.9500 . ?
C304 C305 1.3900 . ?
C304 H304 0.9500 . ?
C305 C306 1.3900 . ?
C305 H305 0.9500 . ?
C306 H306 0.9500 . ?
C311 C312 1.3900 . ?
C311 C316 1.3900 . ?
C312 C313 1.3900 . ?
C312 H312 0.9500 . ?
C313 C314 1.3900 . ?
C313 H313 0.9500 . ?
C314 C315 1.3900 . ?
C314 H314 0.9500 . ?
C315 C316 1.3900 . ?
C315 H315 0.9500 . ?
C316 H316 0.9500 . ?
C321 C322 1.3900 . ?
C321 C326 1.3900 . ?
C322 C323 1.3900 . ?
C322 H322 0.9500 . ?
C323 C324 1.3900 . ?
C323 H323 0.9500 . ?
C324 C325 1.3900 . ?
C324 H324 0.9500 . ?
C325 C326 1.3900 . ?
C325 H325 0.9500 . ?
C326 H326 0.9500 . ?
P4 C401 1.809(12) . ?
P4 C411 1.881(14) . ?
P4 C421 1.897(16) . ?
C401 C402 1.3900 . ?
C401 C406 1.3900 . ?
C402 C403 1.3900 . ?
C402 H402 0.9500 . ?
C403 C404 1.3900 . ?
C403 H403 0.9500 . ?
C404 C405 1.3900 . ?
C404 H404 0.9500 . ?
C405 C406 1.3900 . ?
C405 H405 0.9500 . ?
C406 H406 0.9500 . ?
C411 C412 1.3900 . ?
C411 C416 1.3900 . ?
C412 C413 1.3900 . ?
C412 H412 0.9500 . ?
C413 C414 1.3900 . ?
C413 H413 0.9500 . ?
C414 C415 1.3900 . ?
C414 H414 0.9500 . ?
C415 C416 1.3900 . ?
C415 H415 0.9500 . ?
C416 H416 0.9500 . ?
C421 C422 1.3900 . ?
C421 C426 1.3900 . ?
C422 C423 1.3900 . ?
C422 H422 0.9500 . ?
C423 C424 1.3900 . ?
C423 H423 0.9500 . ?
C424 C425 1.3900 . ?
C424 H424 0.9500 . ?
C425 C426 1.3900 . ?
C425 H425 0.9500 . ?
C426 H426 0.9500 . ?
C501 Cl1 1.81(2) . ?
C501 Cl1 1.81(2) 2_655 ?
C501 H50A 0.9900 . ?
C501 H50B 0.9900 . ?
