#------------------------------------------------------------------------------
#$Date: 2024-03-04 22:12:57 +0200 (Mon, 04 Mar 2024) $
#$Revision: 290163 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/50/7715028.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_7715028
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            'C58 H55 Au2 Cl4 N O12 P2 Ru4'
_chemical_formula_weight         1959.98
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_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                90.759(2)
_cell_angle_beta                 95.483(2)
_cell_angle_gamma                96.132(2)
_cell_formula_units_Z            2
_cell_length_a                   14.5146(8)
_cell_length_b                   14.8691(8)
_cell_length_c                   15.0629(9)
_cell_measurement_reflns_used    9804
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.767
_cell_measurement_theta_min      2.3705
_cell_volume                     3216.6(3)
_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 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0490
_diffrn_reflns_av_unetI/netI     0.0461
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            42391
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         1.866
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    5.733
_exptl_absorpt_correction_T_max  0.2346
_exptl_absorpt_correction_T_min  0.0915
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
 Data were corrected for Lorentz polarization and absorption
 effects (empirical absorption corrections SADABS).
 R(int) = 0.1504 (selected reflections only, before parameter refinement)
 R(int) = 0.0578 (selected reflections only, after parameter refinement)
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.024
_exptl_crystal_description       prism
_exptl_crystal_F_000             1876
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.120
_refine_diff_density_max         2.636
_refine_diff_density_min         -1.149
_refine_diff_density_rms         0.154
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     755
_refine_ls_number_reflns         12625
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0422
_refine_ls_R_factor_gt           0.0346
_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)+(0.0282P)²+11.0737P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0783
_refine_ls_wR_factor_ref         0.0808
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11117
_reflns_number_total             12625
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt04282k3.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 7715028--7715032.cif.'
_cod_database_code               7715028
_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   0.409
_shelx_estimated_absorpt_t_max   0.546
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 0.80229(2) 0.70788(2) 0.68217(2) 0.01617(6) Uani 1 1 d . . . . .
Au2 Au 0.61170(2) 0.71670(2) 0.70586(2) 0.02085(6) Uani 1 1 d . . . . .
Ru1 Ru 0.70648(3) 0.42785(3) 0.78415(3) 0.02319(11) Uani 1 1 d . U . . .
H1 H 0.652(4) 0.526(4) 0.769(4) 0.028 Uiso 1 1 d . U . . .
Ru2 Ru 0.86350(3) 0.55176(3) 0.75705(3) 0.01645(9) Uani 1 1 d . . . . .
Ru3 Ru 0.71601(3) 0.62316(3) 0.83368(3) 0.01592(9) Uani 1 1 d . . . . .
Ru4 Ru 0.67416(3) 0.55523(3) 0.65120(3) 0.01945(10) Uani 1 1 d . . . . .
C1 C 0.7340(5) 0.4247(4) 0.9092(5) 0.0365(17) Uani 1 1 d . . . . .
C2 C 0.7703(4) 0.3309(4) 0.7477(5) 0.0295(14) Uani 1 1 d . . . . .
C3 C 0.5868(5) 0.3618(4) 0.7848(5) 0.0362(16) Uani 1 1 d . . . . .
C4 C 0.8887(5) 0.5176(4) 0.6402(4) 0.0295(14) Uani 1 1 d . . . . .
C5 C 0.9247(4) 0.4661(4) 0.8257(4) 0.0226(12) Uani 1 1 d . . . . .
C6 C 0.9606(4) 0.6484(4) 0.7684(4) 0.0228(12) Uani 1 1 d . . . . .
C7 C 0.8349(4) 0.5988(4) 0.8968(4) 0.0209(12) Uani 1 1 d . . . . .
C8 C 0.7369(4) 0.7457(4) 0.8651(4) 0.0257(13) Uani 1 1 d . . . . .
C9 C 0.6313(4) 0.6064(4) 0.9195(4) 0.0230(12) Uani 1 1 d . . . . .
C10 C 0.5463(4) 0.5388(5) 0.6179(4) 0.0384(17) Uani 1 1 d . . . . .
C11 C 0.6966(6) 0.4347(5) 0.6190(6) 0.051(2) Uani 1 1 d . U . . .
C12 C 0.6951(4) 0.6031(5) 0.5403(4) 0.0308(15) Uani 1 1 d . . . . .
O1 O 0.7514(4) 0.4157(3) 0.9847(3) 0.0491(14) Uani 1 1 d . . . . .
O2 O 0.8074(4) 0.2731(3) 0.7240(4) 0.0452(13) Uani 1 1 d . . . . .
O3 O 0.5159(4) 0.3201(4) 0.7842(4) 0.0570(16) Uani 1 1 d . . . . .
O4 O 0.9128(4) 0.5008(3) 0.5727(3) 0.0476(14) Uani 1 1 d . . . . .
O5 O 0.9660(3) 0.4177(3) 0.8672(3) 0.0334(10) Uani 1 1 d . . . . .
O6 O 1.0260(3) 0.6993(3) 0.7820(3) 0.0285(10) Uani 1 1 d . . . . .
O7 O 0.8822(3) 0.6039(3) 0.9639(3) 0.0275(9) Uani 1 1 d . . . . .
O8 O 0.7500(3) 0.8202(3) 0.8915(3) 0.0345(11) Uani 1 1 d . . . . .
O9 O 0.5806(3) 0.5952(3) 0.9737(3) 0.0388(11) Uani 1 1 d . . . . .
O10 O 0.4672(3) 0.5279(5) 0.5949(4) 0.065(2) Uani 1 1 d . . . . .
O11 O 0.7082(5) 0.3819(3) 0.5642(4) 0.0676(19) Uani 1 1 d . . . . .
O12 O 0.7044(4) 0.6242(4) 0.4696(3) 0.0656(19) Uani 1 1 d . . . . .
P1 P 0.87091(9) 0.82635(9) 0.60787(9) 0.0150(3) Uani 1 1 d . . . . .
P2 P 0.51452(10) 0.82793(10) 0.70222(10) 0.0210(3) Uani 1 1 d . . . . .
C101 C 0.9879(4) 0.8081(3) 0.5800(4) 0.0155(10) Uani 1 1 d . . . . .
C102 C 0.9994(4) 0.7265(4) 0.5393(4) 0.0193(11) Uani 1 1 d . . . . .
H102 H 0.9480 0.6813 0.5289 0.023 Uiso 1 1 calc R U . . .
C103 C 1.0856(4) 0.7105(4) 0.5136(4) 0.0251(13) Uani 1 1 d . . . . .
H103 H 1.0929 0.6550 0.4845 0.030 Uiso 1 1 calc R U . . .
C104 C 1.1608(4) 0.7756(4) 0.5306(4) 0.0249(13) Uani 1 1 d . . . . .
H104 H 1.2200 0.7647 0.5135 0.030 Uiso 1 1 calc R U . . .
C105 C 1.1501(4) 0.8562(4) 0.5724(4) 0.0234(12) Uani 1 1 d . . . . .
H105 H 1.2021 0.9005 0.5849 0.028 Uiso 1 1 calc R U . . .
C106 C 1.0637(4) 0.8728(4) 0.5963(4) 0.0204(12) Uani 1 1 d . . . . .
H106 H 1.0563 0.9290 0.6240 0.025 Uiso 1 1 calc R U . . .
C107 C 0.8925(4) 0.9343(4) 0.6680(4) 0.0175(11) Uani 1 1 d . . . . .
C108 C 0.9235(4) 0.9341(4) 0.7584(4) 0.0224(12) Uani 1 1 d . . . . .
H108 H 0.9241 0.8783 0.7885 0.027 Uiso 1 1 calc R U . . .
C109 C 0.9531(4) 1.0138(4) 0.8042(4) 0.0288(14) Uani 1 1 d . . . . .
H109 H 0.9758 1.0129 0.8655 0.035 Uiso 1 1 calc R U . . .
C110 C 0.9500(4) 1.0964(4) 0.7615(4) 0.0291(14) Uani 1 1 d . . . . .
H110 H 0.9718 1.1515 0.7930 0.035 Uiso 1 1 calc R U . . .
C111 C 0.9151(4) 1.0973(4) 0.6729(4) 0.0262(13) Uani 1 1 d . . . . .
H111 H 0.9106 1.1533 0.6440 0.031 Uiso 1 1 calc R U . . .
C112 C 0.8865(4) 1.0165(4) 0.6262(4) 0.0214(12) Uani 1 1 d . . . . .
H112 H 0.8627 1.0174 0.5652 0.026 Uiso 1 1 calc R U . . .
C113 C 0.8117(4) 0.8492(3) 0.4996(4) 0.0184(11) Uani 1 1 d . . . . .
C114 C 0.8605(4) 0.8800(4) 0.4286(4) 0.0198(11) Uani 1 1 d . . . . .
H114 H 0.9265 0.8905 0.4364 0.024 Uiso 1 1 calc R U . . .
C115 C 0.8131(4) 0.8954(4) 0.3466(4) 0.0251(13) Uani 1 1 d . . . . .
H115 H 0.8469 0.9170 0.2988 0.030 Uiso 1 1 calc R U . . .
C116 C 0.7179(4) 0.8796(4) 0.3341(4) 0.0306(14) Uani 1 1 d . . . . .
H116 H 0.6862 0.8888 0.2774 0.037 Uiso 1 1 calc R U . . .
C117 C 0.6681(5) 0.8504(5) 0.4039(5) 0.0416(18) Uani 1 1 d . . . . .
H117 H 0.6020 0.8415 0.3957 0.050 Uiso 1 1 calc R U . . .
C118 C 0.7149(4) 0.8342(5) 0.4862(5) 0.0316(15) Uani 1 1 d . . . . .
H118 H 0.6805 0.8128 0.5336 0.038 Uiso 1 1 calc R U . . .
C201 C 0.4187(4) 0.7976(4) 0.7697(4) 0.0209(12) Uani 1 1 d . . . . .
C202 C 0.4410(5) 0.7742(5) 0.8573(5) 0.0336(15) Uani 1 1 d . . . . .
H202 H 0.5043 0.7743 0.8802 0.040 Uiso 1 1 calc R U . . .
C203 C 0.3706(5) 0.7505(5) 0.9112(5) 0.0389(17) Uani 1 1 d . . . . .
H203 H 0.3856 0.7346 0.9713 0.047 Uiso 1 1 calc R U . . .
C204 C 0.2796(5) 0.7500(5) 0.8779(5) 0.0407(18) Uani 1 1 d . . . . .
H204 H 0.2317 0.7334 0.9153 0.049 Uiso 1 1 calc R U . . .
C205 C 0.2567(5) 0.7727(5) 0.7924(5) 0.0409(18) Uani 1 1 d . . . . .
H205 H 0.1931 0.7726 0.7705 0.049 Uiso 1 1 calc R U . . .
C206 C 0.3264(4) 0.7962(5) 0.7366(5) 0.0332(15) Uani 1 1 d . . . . .
H206 H 0.3106 0.8110 0.6763 0.040 Uiso 1 1 calc R U . . .
C207 C 0.5640(4) 0.9382(4) 0.7504(4) 0.0243(13) Uani 1 1 d . . . . .
C208 C 0.6593(4) 0.9608(4) 0.7548(4) 0.0251(13) Uani 1 1 d . . . . .
H208 H 0.6978 0.9195 0.7327 0.030 Uiso 1 1 calc R U . . .
C209 C 0.6982(4) 1.0435(5) 0.7913(5) 0.0333(15) Uani 1 1 d . . . . .
H209 H 0.7638 1.0585 0.7952 0.040 Uiso 1 1 calc R U . . .
C210 C 0.6426(5) 1.1050(5) 0.8222(4) 0.0337(15) Uani 1 1 d . . . . .
H210 H 0.6698 1.1622 0.8460 0.040 Uiso 1 1 calc R U . . .
C211 C 0.5490(5) 1.0830(5) 0.8182(5) 0.0390(16) Uani 1 1 d . . . . .
H211 H 0.5109 1.1251 0.8395 0.047 Uiso 1 1 calc R U . . .
C212 C 0.5083(4) 0.9992(4) 0.7832(5) 0.0311(14) Uani 1 1 d . . . . .
H212 H 0.4429 0.9838 0.7817 0.037 Uiso 1 1 calc R U . . .
C213 C 0.4600(4) 0.8499(4) 0.5914(4) 0.0263(13) Uani 1 1 d . . . . .
C214 C 0.4216(4) 0.9289(5) 0.5713(5) 0.0369(16) Uani 1 1 d . . . . .
H214 H 0.4245 0.9756 0.6156 0.044 Uiso 1 1 calc R U . . .
C215 C 0.3784(5) 0.9404(6) 0.4861(5) 0.047(2) Uani 1 1 d . . . . .
H215 H 0.3500 0.9940 0.4733 0.056 Uiso 1 1 calc R U . . .
C216 C 0.3768(5) 0.8758(6) 0.4216(5) 0.048(2) Uani 1 1 d . . . . .
H216 H 0.3488 0.8849 0.3632 0.058 Uiso 1 1 calc R U . . .
C217 C 0.4159(5) 0.7968(6) 0.4408(5) 0.047(2) Uani 1 1 d . . . . .
H217 H 0.4137 0.7510 0.3959 0.056 Uiso 1 1 calc R U . . .
C218 C 0.4583(4) 0.7839(5) 0.5255(4) 0.0344(16) Uani 1 1 d . . . . .
H218 H 0.4860 0.7299 0.5383 0.041 Uiso 1 1 calc R U . . .
N1 N 0.7749(3) 0.5740(3) 0.2325(3) 0.0213(10) Uani 1 1 d . . . . .
C301 C 0.8216(4) 0.4870(4) 0.2397(4) 0.0286(14) Uani 1 1 d . . . . .
H30A H 0.7904 0.4434 0.1932 0.034 Uiso 1 1 calc R U . . .
H30B H 0.8872 0.5006 0.2268 0.034 Uiso 1 1 calc R U . . .
C302 C 0.8204(6) 0.4423(5) 0.3284(5) 0.0442(18) Uani 1 1 d . . . . .
H30C H 0.8515 0.4845 0.3753 0.066 Uiso 1 1 calc R U . . .
H30D H 0.8531 0.3880 0.3273 0.066 Uiso 1 1 calc R U . . .
H30E H 0.7558 0.4253 0.3407 0.066 Uiso 1 1 calc R U . . .
C303 C 0.8215(4) 0.6430(4) 0.3020(4) 0.0250(13) Uani 1 1 d . . . . .
H30F H 0.8145 0.6179 0.3618 0.030 Uiso 1 1 calc R U . . .
H30G H 0.7883 0.6978 0.2975 0.030 Uiso 1 1 calc R U . . .
C304 C 0.9248(4) 0.6711(4) 0.2948(5) 0.0319(15) Uani 1 1 d . . . . .
H30H H 0.9599 0.6190 0.3067 0.048 Uiso 1 1 calc R U . . .
H30I H 0.9474 0.7198 0.3385 0.048 Uiso 1 1 calc R U . . .
H30J H 0.9334 0.6925 0.2346 0.048 Uiso 1 1 calc R U . . .
C305 C 0.6734(4) 0.5581(4) 0.2512(4) 0.0268(13) Uani 1 1 d . . . . .
H30K H 0.6709 0.5394 0.3139 0.032 Uiso 1 1 calc R U . . .
H30L H 0.6458 0.6160 0.2451 0.032 Uiso 1 1 calc R U . . .
C306 C 0.6144(4) 0.4877(5) 0.1913(5) 0.0360(16) Uani 1 1 d . . . . .
H30M H 0.6146 0.5063 0.1292 0.054 Uiso 1 1 calc R U . . .
H30N H 0.5505 0.4816 0.2080 0.054 Uiso 1 1 calc R U . . .
H30O H 0.6399 0.4294 0.1980 0.054 Uiso 1 1 calc R U . . .
C307 C 0.7843(4) 0.6087(4) 0.1390(4) 0.0284(13) Uani 1 1 d . . . . .
H30P H 0.8507 0.6122 0.1277 0.034 Uiso 1 1 calc R U . . .
H30Q H 0.7491 0.5641 0.0956 0.034 Uiso 1 1 calc R U . . .
C308 C 0.7510(6) 0.6989(5) 0.1216(5) 0.0411(17) Uani 1 1 d . . . . .
H30R H 0.6838 0.6948 0.1257 0.062 Uiso 1 1 calc R U . . .
H30S H 0.7645 0.7179 0.0617 0.062 Uiso 1 1 calc R U . . .
H30T H 0.7830 0.7433 0.1659 0.062 Uiso 1 1 calc R U . . .
C401 C 0.7274(7) 0.9964(6) 0.0234(6) 0.059(2) Uani 1 1 d . . . . .
H40A H 0.7109 1.0587 0.0140 0.071 Uiso 1 1 calc R U . . .
H40B H 0.7535 0.9765 -0.0310 0.071 Uiso 1 1 calc R U . . .
Cl1 Cl 0.8121(3) 0.9979(3) 0.1131(2) 0.1053(11) Uani 1 1 d . . . . .
Cl2 Cl 0.6283(3) 0.9268(3) 0.0377(3) 0.1375(17) Uani 1 1 d . . . . .
C411 C 0.0480(5) 0.7687(6) -0.0133(6) 0.052(2) Uani 1 1 d . . . . .
H41A H 0.0677 0.7763 -0.0741 0.063 Uiso 1 1 calc R U . . .
H41B H 0.0254 0.7041 -0.0071 0.063 Uiso 1 1 calc R U . . .
Cl3 Cl 0.14428(13) 0.79688(15) 0.06405(13) 0.0505(5) Uani 1 1 d . . . . .
Cl4 Cl -0.04296(14) 0.83324(15) -0.00133(16) 0.0589(6) Uani 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'
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'
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 Ru4 140.55(4) . . ?
P1 Au1 Ru2 134.36(4) . . ?
Ru4 Au1 Ru2 66.387(14) . . ?
P1 Au1 Au2 115.06(4) . . ?
Ru4 Au1 Au2 59.668(12) . . ?
Ru2 Au1 Au2 110.578(12) . . ?
P1 Au1 Ru3 154.48(4) . . ?
Ru4 Au1 Ru3 60.874(13) . . ?
Ru2 Au1 Ru3 58.974(13) . . ?
Au2 Au1 Ru3 58.151(10) . . ?
P2 Au2 Ru4 155.64(4) . . ?
P2 Au2 Ru3 138.34(4) . . ?
Ru4 Au2 Ru3 62.337(14) . . ?
P2 Au2 Au1 135.62(4) . . ?
Ru4 Au2 Au1 59.126(11) . . ?
Ru3 Au2 Au1 62.734(11) . . ?
C1 Ru1 C2 100.3(3) . . ?
C1 Ru1 C3 94.2(3) . . ?
C2 Ru1 C3 97.4(3) . . ?
C1 Ru1 C11 171.2(3) . . ?
C2 Ru1 C11 75.0(3) . . ?
C3 Ru1 C11 93.8(3) . . ?
C1 Ru1 Ru4 139.03(19) . . ?
C2 Ru1 Ru4 114.3(2) . . ?
C3 Ru1 Ru4 102.1(2) . . ?
C11 Ru1 Ru4 41.92(17) . . ?
C1 Ru1 Ru2 94.84(19) . . ?
C2 Ru1 Ru2 89.91(18) . . ?
C3 Ru1 Ru2 167.2(2) . . ?
C11 Ru1 Ru2 77.90(19) . . ?
Ru4 Ru1 Ru2 65.251(16) . . ?
C1 Ru1 Ru3 78.96(19) . . ?
C2 Ru1 Ru3 147.48(18) . . ?
C3 Ru1 Ru3 115.1(2) . . ?
C11 Ru1 Ru3 100.94(17) . . ?
Ru4 Ru1 Ru3 60.082(15) . . ?
Ru2 Ru1 Ru3 58.049(15) . . ?
C1 Ru1 H1 103(2) . . ?
C2 Ru1 H1 155(2) . . ?
C3 Ru1 H1 89(2) . . ?
C11 Ru1 H1 81(2) . . ?
Ru4 Ru1 H1 41(2) . . ?
Ru2 Ru1 H1 80(2) . . ?
Ru3 Ru1 H1 35(2) . . ?
C5 Ru2 C6 98.3(2) . . ?
C5 Ru2 C4 100.5(3) . . ?
C6 Ru2 C4 93.6(3) . . ?
C5 Ru2 C7 81.0(2) . . ?
C6 Ru2 C7 84.5(2) . . ?
C4 Ru2 C7 177.7(2) . . ?
C5 Ru2 Au1 166.11(18) . . ?
C6 Ru2 Au1 69.39(17) . . ?
C4 Ru2 Au1 86.99(18) . . ?
C7 Ru2 Au1 91.18(14) . . ?
C5 Ru2 Ru3 115.91(18) . . ?
C6 Ru2 Ru3 103.75(17) . . ?
C4 Ru2 Ru3 136.2(2) . . ?
C7 Ru2 Ru3 43.54(14) . . ?
Au1 Ru2 Ru3 63.226(13) . . ?
C5 Ru2 Ru1 81.10(16) . . ?
C6 Ru2 Ru1 164.44(18) . . ?
C4 Ru2 Ru1 101.81(19) . . ?
C7 Ru2 Ru1 80.06(13) . . ?
Au1 Ru2 Ru1 108.979(18) . . ?
Ru3 Ru2 Ru1 63.390(16) . . ?
C5 Ru2 Ru4 136.07(17) . . ?
C6 Ru2 Ru4 125.64(17) . . ?
C4 Ru2 Ru4 78.0(2) . . ?
C7 Ru2 Ru4 102.11(14) . . ?
Au1 Ru2 Ru4 56.703(12) . . ?
Ru3 Ru2 Ru4 59.092(15) . . ?
Ru1 Ru2 Ru4 57.016(15) . . ?
C8 Ru3 C9 89.7(3) . . ?
C8 Ru3 C7 92.1(2) . . ?
C9 Ru3 C7 104.2(2) . . ?
C8 Ru3 Au2 72.48(18) . . ?
C9 Ru3 Au2 99.88(18) . . ?
C7 Ru3 Au2 151.33(16) . . ?
C8 Ru3 Ru2 115.2(2) . . ?
C9 Ru3 Ru2 145.12(18) . . ?
C7 Ru3 Ru2 53.86(17) . . ?
Au2 Ru3 Ru2 110.394(18) . . ?
C8 Ru3 Ru4 123.65(18) . . ?
C9 Ru3 Ru4 122.86(18) . . ?
C7 Ru3 Ru4 117.50(17) . . ?
Au2 Ru3 Ru4 58.597(14) . . ?
Ru2 Ru3 Ru4 64.333(16) . . ?
C8 Ru3 Au1 75.53(19) . . ?
C9 Ru3 Au1 156.96(18) . . ?
C7 Ru3 Au1 94.11(16) . . ?
Au2 Ru3 Au1 59.116(11) . . ?
Ru2 Ru3 Au1 57.800(13) . . ?
Ru4 Ru3 Au1 56.838(13) . . ?
C8 Ru3 Ru1 173.34(19) . . ?
C9 Ru3 Ru1 94.93(18) . . ?
C7 Ru3 Ru1 82.11(16) . . ?
Au2 Ru3 Ru1 111.299(18) . . ?
Ru2 Ru3 Ru1 58.561(15) . . ?
Ru4 Ru3 Ru1 57.246(16) . . ?
Au1 Ru3 Ru1 101.462(17) . . ?
C8 Ru3 H1 153(2) . . ?
C9 Ru3 H1 89(2) . . ?
C7 Ru3 H1 115(2) . . ?
Au2 Ru3 H1 81(2) . . ?
Ru2 Ru3 H1 79(2) . . ?
Ru4 Ru3 H1 39(2) . . ?
Au1 Ru3 H1 96(2) . . ?
Ru1 Ru3 H1 33(2) . . ?
C12 Ru4 C10 90.5(3) . . ?
C12 Ru4 C11 94.8(4) . . ?
C10 Ru4 C11 95.7(3) . . ?
C12 Ru4 Au1 72.99(18) . . ?
C10 Ru4 Au1 133.2(3) . . ?
C11 Ru4 Au1 128.4(3) . . ?
C12 Ru4 Au2 90.8(2) . . ?
C10 Ru4 Au2 76.0(2) . . ?
C11 Ru4 Au2 170.1(3) . . ?
Au1 Ru4 Au2 61.206(11) . . ?
C12 Ru4 Ru1 150.6(2) . . ?
C10 Ru4 Ru1 105.5(2) . . ?
C11 Ru4 Ru1 59.7(3) . . ?
Au1 Ru4 Ru1 109.824(19) . . ?
Au2 Ru4 Ru1 116.67(2) . . ?
C12 Ru4 Ru3 133.96(19) . . ?
C10 Ru4 Ru3 111.7(2) . . ?
C11 Ru4 Ru3 120.8(2) . . ?
Au1 Ru4 Ru3 62.288(13) . . ?
Au2 Ru4 Ru3 59.066(13) . . ?
Ru1 Ru4 Ru3 62.672(17) . . ?
C12 Ru4 Ru2 107.4(2) . . ?
C10 Ru4 Ru2 162.0(2) . . ?
C11 Ru4 Ru2 81.6(2) . . ?
Au1 Ru4 Ru2 56.910(12) . . ?
Au2 Ru4 Ru2 104.545(16) . . ?
Ru1 Ru4 Ru2 57.733(15) . . ?
Ru3 Ru4 Ru2 56.575(15) . . ?
C12 Ru4 H1 171(2) . . ?
C10 Ru4 H1 89.9(19) . . ?
C11 Ru4 H1 94(2) . . ?
Au1 Ru4 H1 100.3(19) . . ?
Au2 Ru4 H1 80.5(19) . . ?
Ru1 Ru4 H1 37.0(19) . . ?
Ru3 Ru4 H1 38.3(19) . . ?
Ru2 Ru4 H1 72.7(19) . . ?
O1 C1 Ru1 174.6(6) . . ?
O2 C2 Ru1 178.4(6) . . ?
O3 C3 Ru1 178.1(7) . . ?
O4 C4 Ru2 173.1(6) . . ?
O5 C5 Ru2 176.2(5) . . ?
O6 C6 Ru2 170.9(5) . . ?
O7 C7 Ru3 146.7(5) . . ?
O7 C7 Ru2 130.6(4) . . ?
Ru3 C7 Ru2 82.6(2) . . ?
O8 C8 Ru3 174.7(5) . . ?
O9 C9 Ru3 178.4(6) . . ?
O10 C10 Ru4 178.1(6) . . ?
O11 C11 Ru4 149.4(7) . . ?
O11 C11 Ru1 132.1(6) . . ?
Ru4 C11 Ru1 78.4(3) . . ?
O12 C12 Ru4 173.3(6) . . ?
C107 P1 C113 106.0(3) . . ?
C107 P1 C101 101.9(2) . . ?
C113 P1 C101 102.6(2) . . ?
C107 P1 Au1 116.40(18) . . ?
C113 P1 Au1 115.53(17) . . ?
C101 P1 Au1 112.69(17) . . ?
C201 P2 C213 105.6(3) . . ?
C201 P2 C207 102.3(3) . . ?
C213 P2 C207 106.1(3) . . ?
C201 P2 Au2 110.34(19) . . ?
C213 P2 Au2 114.7(2) . . ?
C207 P2 Au2 116.5(2) . . ?
C106 C101 C102 119.3(5) . . ?
C106 C101 P1 122.7(4) . . ?
C102 C101 P1 118.0(4) . . ?
C101 C102 C103 120.4(5) . . ?
C101 C102 H102 119.8 . . ?
C103 C102 H102 119.8 . . ?
C104 C103 C102 119.7(5) . . ?
C104 C103 H103 120.2 . . ?
C102 C103 H103 120.2 . . ?
C105 C104 C103 120.1(5) . . ?
C105 C104 H104 119.9 . . ?
C103 C104 H104 119.9 . . ?
C104 C105 C106 120.0(5) . . ?
C104 C105 H105 120.0 . . ?
C106 C105 H105 120.0 . . ?
C101 C106 C105 120.4(5) . . ?
C101 C106 H106 119.8 . . ?
C105 C106 H106 119.8 . . ?
C112 C107 C108 119.2(5) . . ?
C112 C107 P1 122.7(4) . . ?
C108 C107 P1 117.9(4) . . ?
C109 C108 C107 120.3(5) . . ?
C109 C108 H108 119.8 . . ?
C107 C108 H108 119.8 . . ?
C108 C109 C110 120.4(6) . . ?
C108 C109 H109 119.8 . . ?
C110 C109 H109 119.8 . . ?
C111 C110 C109 119.5(5) . . ?
C111 C110 H110 120.3 . . ?
C109 C110 H110 120.3 . . ?
C110 C111 C112 120.1(5) . . ?
C110 C111 H111 120.0 . . ?
C112 C111 H111 120.0 . . ?
C111 C112 C107 120.3(6) . . ?
C111 C112 H112 119.8 . . ?
C107 C112 H112 119.8 . . ?
C118 C113 C114 118.5(5) . . ?
C118 C113 P1 119.6(4) . . ?
C114 C113 P1 121.9(4) . . ?
C115 C114 C113 120.4(5) . . ?
C115 C114 H114 119.8 . . ?
C113 C114 H114 119.8 . . ?
C116 C115 C114 120.4(6) . . ?
C116 C115 H115 119.8 . . ?
C114 C115 H115 119.8 . . ?
C115 C116 C117 120.1(6) . . ?
C115 C116 H116 119.9 . . ?
C117 C116 H116 119.9 . . ?
C116 C117 C118 119.9(6) . . ?
C116 C117 H117 120.1 . . ?
C118 C117 H117 120.1 . . ?
C117 C118 C113 120.6(6) . . ?
C117 C118 H118 119.7 . . ?
C113 C118 H118 119.7 . . ?
C206 C201 C202 119.7(5) . . ?
C206 C201 P2 122.6(5) . . ?
C202 C201 P2 117.6(4) . . ?
C203 C202 C201 119.8(6) . . ?
C203 C202 H202 120.1 . . ?
C201 C202 H202 120.1 . . ?
C204 C203 C202 120.0(7) . . ?
C204 C203 H203 120.0 . . ?
C202 C203 H203 120.0 . . ?
C205 C204 C203 121.0(6) . . ?
C205 C204 H204 119.5 . . ?
C203 C204 H204 119.5 . . ?
C204 C205 C206 120.1(7) . . ?
C204 C205 H205 120.0 . . ?
C206 C205 H205 120.0 . . ?
C201 C206 C205 119.4(6) . . ?
C201 C206 H206 120.3 . . ?
C205 C206 H206 120.3 . . ?
C208 C207 C212 119.6(6) . . ?
C208 C207 P2 118.7(5) . . ?
C212 C207 P2 121.7(4) . . ?
C209 C208 C207 119.7(6) . . ?
C209 C208 H208 120.1 . . ?
C207 C208 H208 120.1 . . ?
C208 C209 C210 120.7(6) . . ?
C208 C209 H209 119.7 . . ?
C210 C209 H209 119.7 . . ?
C211 C210 C209 119.7(6) . . ?
C211 C210 H210 120.2 . . ?
C209 C210 H210 120.2 . . ?
C210 C211 C212 120.6(7) . . ?
C210 C211 H211 119.7 . . ?
C212 C211 H211 119.7 . . ?
C207 C212 C211 119.6(6) . . ?
C207 C212 H212 120.2 . . ?
C211 C212 H212 120.2 . . ?
C214 C213 C218 119.4(6) . . ?
C214 C213 P2 122.8(5) . . ?
C218 C213 P2 117.8(5) . . ?
C213 C214 C215 120.0(8) . . ?
C213 C214 H214 120.0 . . ?
C215 C214 H214 120.0 . . ?
C216 C215 C214 120.6(8) . . ?
C216 C215 H215 119.7 . . ?
C214 C215 H215 119.7 . . ?
C215 C216 C217 119.9(7) . . ?
C215 C216 H216 120.1 . . ?
C217 C216 H216 120.1 . . ?
C216 C217 C218 120.3(8) . . ?
C216 C217 H217 119.9 . . ?
C218 C217 H217 119.9 . . ?
C213 C218 C217 119.8(7) . . ?
C213 C218 H218 120.1 . . ?
C217 C218 H218 120.1 . . ?
C303 N1 C307 110.8(4) . . ?
C303 N1 C305 106.1(4) . . ?
C307 N1 C305 111.4(4) . . ?
C303 N1 C301 110.1(5) . . ?
C307 N1 C301 107.1(4) . . ?
C305 N1 C301 111.4(4) . . ?
C302 C301 N1 115.3(5) . . ?
C302 C301 H30A 108.5 . . ?
N1 C301 H30A 108.5 . . ?
C302 C301 H30B 108.5 . . ?
N1 C301 H30B 108.5 . . ?
H30A C301 H30B 107.5 . . ?
C301 C302 H30C 109.5 . . ?
C301 C302 H30D 109.5 . . ?
H30C C302 H30D 109.5 . . ?
C301 C302 H30E 109.5 . . ?
H30C C302 H30E 109.5 . . ?
H30D C302 H30E 109.5 . . ?
N1 C303 C304 115.3(5) . . ?
N1 C303 H30F 108.5 . . ?
C304 C303 H30F 108.5 . . ?
N1 C303 H30G 108.5 . . ?
C304 C303 H30G 108.5 . . ?
H30F C303 H30G 107.5 . . ?
C303 C304 H30H 109.5 . . ?
C303 C304 H30I 109.5 . . ?
H30H C304 H30I 109.5 . . ?
C303 C304 H30J 109.5 . . ?
H30H C304 H30J 109.5 . . ?
H30I C304 H30J 109.5 . . ?
C306 C305 N1 114.8(5) . . ?
C306 C305 H30K 108.6 . . ?
N1 C305 H30K 108.6 . . ?
C306 C305 H30L 108.6 . . ?
N1 C305 H30L 108.6 . . ?
H30K C305 H30L 107.5 . . ?
C305 C306 H30M 109.5 . . ?
C305 C306 H30N 109.5 . . ?
H30M C306 H30N 109.5 . . ?
C305 C306 H30O 109.5 . . ?
H30M C306 H30O 109.5 . . ?
H30N C306 H30O 109.5 . . ?
C308 C307 N1 115.3(5) . . ?
C308 C307 H30P 108.5 . . ?
N1 C307 H30P 108.5 . . ?
C308 C307 H30Q 108.5 . . ?
N1 C307 H30Q 108.5 . . ?
H30P C307 H30Q 107.5 . . ?
C307 C308 H30R 109.5 . . ?
C307 C308 H30S 109.5 . . ?
H30R C308 H30S 109.5 . . ?
C307 C308 H30T 109.5 . . ?
H30R C308 H30T 109.5 . . ?
H30S C308 H30T 109.5 . . ?
Cl2 C401 Cl1 113.5(5) . . ?
Cl2 C401 H40A 108.9 . . ?
Cl1 C401 H40A 108.9 . . ?
Cl2 C401 H40B 108.9 . . ?
Cl1 C401 H40B 108.9 . . ?
H40A C401 H40B 107.7 . . ?
Cl4 C411 Cl3 113.6(4) . . ?
Cl4 C411 H41A 108.8 . . ?
Cl3 C411 H41A 108.8 . . ?
Cl4 C411 H41B 108.8 . . ?
Cl3 C411 H41B 108.8 . . ?
H41A C411 H41B 107.7 . . ?
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 2.2887(13) . ?
Au1 Ru4 2.7808(5) . ?
Au1 Ru2 2.7873(5) . ?
Au1 Au2 2.8393(3) . ?
Au1 Ru3 2.9408(5) . ?
Au2 P2 2.2835(15) . ?
Au2 Ru4 2.7964(5) . ?
Au2 Ru3 2.8103(5) . ?
Ru1 C1 1.891(8) . ?
Ru1 C2 1.898(7) . ?
Ru1 C3 1.903(7) . ?
Ru1 C11 2.482(9) . ?
Ru1 Ru4 2.8156(7) . ?
Ru1 Ru2 2.8383(6) . ?
Ru1 Ru3 2.9743(6) . ?
Ru1 H1 1.73(6) . ?
Ru2 C5 1.893(6) . ?
Ru2 C6 1.896(6) . ?
Ru2 C4 1.905(6) . ?
Ru2 C7 2.299(6) . ?
Ru2 Ru3 2.8227(6) . ?
Ru2 Ru4 3.0483(6) . ?
Ru3 C8 1.862(6) . ?
Ru3 C9 1.869(6) . ?
Ru3 C7 1.961(6) . ?
Ru3 Ru4 2.9018(6) . ?
Ru3 H1 1.84(6) . ?
Ru4 C12 1.863(6) . ?
Ru4 C10 1.865(6) . ?
Ru4 C11 1.920(7) . ?
Ru4 H1 1.89(6) . ?
C1 O1 1.154(8) . ?
C2 O2 1.132(8) . ?
C3 O3 1.142(8) . ?
C4 O4 1.140(8) . ?
C5 O5 1.140(7) . ?
C6 O6 1.150(7) . ?
C7 O7 1.162(7) . ?
C8 O8 1.162(7) . ?
C9 O9 1.153(7) . ?
C10 O10 1.160(8) . ?
C11 O11 1.167(10) . ?
C12 O12 1.130(8) . ?
P1 C107 1.815(5) . ?
P1 C113 1.823(6) . ?
P1 C101 1.835(5) . ?
P2 C201 1.821(6) . ?
P2 C213 1.827(6) . ?
P2 C207 1.830(6) . ?
C101 C106 1.382(7) . ?
C101 C102 1.385(8) . ?
C102 C103 1.388(8) . ?
C102 H102 0.9500 . ?
C103 C104 1.381(8) . ?
C103 H103 0.9500 . ?
C104 C105 1.378(8) . ?
C104 H104 0.9500 . ?
C105 C106 1.383(8) . ?
C105 H105 0.9500 . ?
C106 H106 0.9500 . ?
C107 C112 1.390(8) . ?
C107 C108 1.393(8) . ?
C108 C109 1.371(8) . ?
C108 H108 0.9500 . ?
C109 C110 1.397(9) . ?
C109 H109 0.9500 . ?
C110 C111 1.382(9) . ?
C110 H110 0.9500 . ?
C111 C112 1.388(8) . ?
C111 H111 0.9500 . ?
C112 H112 0.9500 . ?
C113 C118 1.394(8) . ?
C113 C114 1.394(8) . ?
C114 C115 1.390(8) . ?
C114 H114 0.9500 . ?
C115 C116 1.371(9) . ?
C115 H115 0.9500 . ?
C116 C117 1.380(10) . ?
C116 H116 0.9500 . ?
C117 C118 1.392(9) . ?
C117 H117 0.9500 . ?
C118 H118 0.9500 . ?
C201 C206 1.382(8) . ?
C201 C202 1.386(9) . ?
C202 C203 1.384(9) . ?
C202 H202 0.9500 . ?
C203 C204 1.367(10) . ?
C203 H203 0.9500 . ?
C204 C205 1.355(11) . ?
C204 H204 0.9500 . ?
C205 C206 1.396(9) . ?
C205 H205 0.9500 . ?
C206 H206 0.9500 . ?
C207 C208 1.383(8) . ?
C207 C212 1.393(9) . ?
C208 C209 1.383(9) . ?
C208 H208 0.9500 . ?
C209 C210 1.387(10) . ?
C209 H209 0.9500 . ?
C210 C211 1.359(9) . ?
C210 H210 0.9500 . ?
C211 C212 1.394(9) . ?
C211 H211 0.9500 . ?
C212 H212 0.9500 . ?
C213 C214 1.379(9) . ?
C213 C218 1.383(10) . ?
C214 C215 1.394(10) . ?
C214 H214 0.9500 . ?
C215 C216 1.354(12) . ?
C215 H215 0.9500 . ?
C216 C217 1.381(12) . ?
C216 H216 0.9500 . ?
C217 C218 1.387(10) . ?
C217 H217 0.9500 . ?
C218 H218 0.9500 . ?
N1 C303 1.515(7) . ?
N1 C307 1.520(8) . ?
N1 C305 1.521(7) . ?
N1 C301 1.524(7) . ?
C301 C302 1.501(9) . ?
C301 H30A 0.9900 . ?
C301 H30B 0.9900 . ?
C302 H30C 0.9800 . ?
C302 H30D 0.9800 . ?
C302 H30E 0.9800 . ?
C303 C304 1.527(8) . ?
C303 H30F 0.9900 . ?
C303 H30G 0.9900 . ?
C304 H30H 0.9800 . ?
C304 H30I 0.9800 . ?
C304 H30J 0.9800 . ?
C305 C306 1.509(8) . ?
C305 H30K 0.9900 . ?
C305 H30L 0.9900 . ?
C306 H30M 0.9800 . ?
C306 H30N 0.9800 . ?
C306 H30O 0.9800 . ?
C307 C308 1.491(9) . ?
C307 H30P 0.9900 . ?
C307 H30Q 0.9900 . ?
C308 H30R 0.9800 . ?
C308 H30S 0.9800 . ?
C308 H30T 0.9800 . ?
C401 Cl2 1.713(10) . ?
C401 Cl1 1.736(9) . ?
C401 H40A 0.9900 . ?
C401 H40B 0.9900 . ?
C411 Cl4 1.735(8) . ?
C411 Cl3 1.742(8) . ?
C411 H41A 0.9900 . ?
C411 H41B 0.9900 . ?
