#------------------------------------------------------------------------------
#$Date: 2024-02-04 13:55:14 +0200 (Sun, 04 Feb 2024) $
#$Revision: 289496 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/48/7714839.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_7714839
loop_
_publ_author_name
'Donnelly, Laurie J.'
'Lin, Jian-Bin'
'Gelfand, Benjamin S.'
'Chang, Chia Yun'
'Piers, Warren E.'
_publ_section_title
;
 Ruthenium polyhydrides supported by rigid PCP pincer ligands: dynamic
 behaviour and reactions with CO₂.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1862
_journal_page_last               1869
_journal_paper_doi               10.1039/d3dt04014c
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C56 H86 P4 Ru2'
_chemical_formula_sum            'C56 H86 P4 Ru2'
_chemical_formula_weight         1085.26
_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
_atom_sites_solution_primary     dual
_audit_creation_date             2023-05-03
_audit_creation_method
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_audit_update_record
;
2023-11-20 deposited with the CCDC.	2023-12-26 downloaded from the CCDC.
;
_cell_angle_alpha                106.789(4)
_cell_angle_beta                 90.328(4)
_cell_angle_gamma                91.710(5)
_cell_formula_units_Z            2
_cell_length_a                   10.9417(7)
_cell_length_b                   14.5639(11)
_cell_length_c                   17.1311(10)
_cell_measurement_reflns_used    9853
_cell_measurement_temperature    173
_cell_measurement_theta_max      66.665
_cell_measurement_theta_min      3.518
_cell_volume                     2612.1(3)
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      173
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1366
_diffrn_reflns_av_unetI/netI     0.1401
_diffrn_reflns_Laue_measured_fraction_full 0.960
_diffrn_reflns_Laue_measured_fraction_max 0.960
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            31954
_diffrn_reflns_point_group_measured_fraction_full 0.960
_diffrn_reflns_point_group_measured_fraction_max 0.960
_diffrn_reflns_theta_full        66.762
_diffrn_reflns_theta_max         66.762
_diffrn_reflns_theta_min         2.694
_diffrn_source_current           0.64
_diffrn_source_power             0.028576
_diffrn_source_voltage           44.65
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.096
_exptl_absorpt_correction_T_max  0.7528
_exptl_absorpt_correction_T_min  0.5391
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1464 before and 0.1092 after correction.
The Ratio of minimum to maximum transmission is 0.7161.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.380
_exptl_crystal_description       block
_exptl_crystal_F_000             1140
_exptl_crystal_size_max          0.092
_exptl_crystal_size_mid          0.066
_exptl_crystal_size_min          0.048
_refine_diff_density_max         1.809
_refine_diff_density_min         -1.121
_refine_diff_density_rms         0.224
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.987
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     595
_refine_ls_number_reflns         8889
_refine_ls_number_restraints     38
_refine_ls_restrained_S_all      0.986
_refine_ls_R_factor_all          0.0964
_refine_ls_R_factor_gt           0.0824
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1150P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1968
_refine_ls_wR_factor_ref         0.2073
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6822
_reflns_number_total             8889
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt04014c2.cif
_cod_data_source_block           ld281
_cod_depositor_comments
'Adding full bibliography for 7714837--7714844.cif.'
_cod_database_code               7714839
_shelx_shelxl_version_number     2018/3
_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_max   0.759
_shelx_estimated_absorpt_t_min   0.604
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Ru1 \\sim H \\sim HA \\sim HB \\sim Ru2 \\sim HC: within 2A with sigma of 0.01
and sigma for terminal atoms of 0.02 within 2A
3.a Ternary CH refined with riding coordinates:
 C13(H13), C17(H17), C20(H20), C23(H23), C26(H26), C41(H41), C45(H45),
 C48(H48), C51(H51), C54(H54)
3.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C9(H9), C10(H10), C11(H11), C31(H31), C32(H32),
 C33(H33), C37(H37), C38(H38), C39(H39)
3.c Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C18(H18A,H18B,H18C), C19(H19A,H19B,
 H19C), C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C24(H24A,H24B,H24C), C25(H25A,
 H25B,H25C), C27(H27A,H27B,H27C), C28(H28A,H28B,H28C), C43(H43A,H43B,H43C),
 C44(H44A,H44B,H44C), C46(H46A,H46B,H46C), C47(H47A,H47B,H47C), C49(H49A,H49B,
 H49C), C50(H50A,H50B,H50C), C52(H52A,H52B,H52C), C53(H53A,H53B,H53C), C55(H55A,
 H55B,H55C), C56(H56A,H56B,H56C)
;
_olex2_submission_special_instructions 'No special instructions were received'
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
Ru1 Ru 0.62871(4) 0.19642(4) 0.30203(3) 0.01922(18) Uani 1 1 d . U . . .
H H 0.609(7) 0.111(6) 0.259(5) 0.021(5) Uiso 1 1 d . U . . .
HA H 0.587(7) 0.324(6) 0.312(5) 0.018(4) Uiso 1 1 d . U . . .
HB H 0.584(7) 0.165(6) 0.197(5) 0.019(4) Uiso 1 1 d . U . . .
Ru2 Ru 0.64024(4) 0.29296(4) 0.19794(3) 0.01926(18) Uani 1 1 d . U . . .
HC H 0.615(7) 0.347(6) 0.208(5) 0.015(5) Uiso 1 1 d . U . . .
P1 P 0.45580(15) 0.20073(13) 0.37692(10) 0.0203(4) Uani 1 1 d . . . . .
P2 P 0.76656(16) 0.08152(13) 0.29833(10) 0.0213(4) Uani 1 1 d . . . . .
P3 P 0.76824(16) 0.42074(13) 0.21114(10) 0.0210(4) Uani 1 1 d . . . . .
P4 P 0.47742(15) 0.29804(12) 0.11782(10) 0.0209(4) Uani 1 1 d . . . . .
C1 C 0.6242(7) 0.2555(5) 0.4976(4) 0.0218(14) Uani 1 1 d . . . . .
C2 C 0.5010(6) 0.2301(5) 0.4838(4) 0.0200(13) Uani 1 1 d . . . . .
C3 C 0.4232(7) 0.2365(6) 0.5496(5) 0.0284(16) Uani 1 1 d . . . . .
H3 H 0.338647 0.219605 0.540460 0.034 Uiso 1 1 calc R U . . .
C4 C 0.4712(7) 0.2676(6) 0.6282(5) 0.0315(17) Uani 1 1 d . . . . .
H4 H 0.418593 0.274119 0.673294 0.038 Uiso 1 1 calc R U . . .
C5 C 0.5935(8) 0.2892(6) 0.6417(5) 0.0348(18) Uani 1 1 d . . . . .
H5 H 0.624681 0.308082 0.696055 0.042 Uiso 1 1 calc R U . . .
C6 C 0.6747(6) 0.2842(5) 0.5769(4) 0.0236(14) Uani 1 1 d . . . . .
C7 C 0.8237(6) 0.2055(5) 0.4415(4) 0.0244(15) Uani 1 1 d . . . . .
C8 C 0.8757(6) 0.1320(5) 0.3817(4) 0.0239(15) Uani 1 1 d . . . . .
C9 C 0.9848(6) 0.0916(6) 0.3950(5) 0.0295(16) Uani 1 1 d . . . . .
H9 H 1.021485 0.044159 0.352262 0.035 Uiso 1 1 calc R U . . .
C10 C 1.0387(7) 0.1221(6) 0.4720(5) 0.0332(18) Uani 1 1 d . . . . .
H10 H 1.112831 0.094967 0.482215 0.040 Uiso 1 1 calc R U . . .
C11 C 0.9847(7) 0.1926(6) 0.5348(5) 0.0320(17) Uani 1 1 d . . . . .
H11 H 1.022236 0.212074 0.587455 0.038 Uiso 1 1 calc R U . . .
C12 C 0.8783(6) 0.2338(5) 0.5214(4) 0.0242(15) Uani 1 1 d . . . . .
C13 C 0.7072(6) 0.2484(5) 0.4249(4) 0.0202(13) Uani 1 1 d . . . . .
H13 H 0.731595 0.316656 0.430297 0.024 Uiso 1 1 calc R U . . .
C14 C 0.8137(7) 0.3075(6) 0.5884(4) 0.0276(16) Uani 1 1 d . . . . .
C15 C 0.8409(7) 0.4097(6) 0.5811(5) 0.0336(17) Uani 1 1 d . . . . .
H15A H 0.801615 0.416113 0.531446 0.050 Uiso 1 1 calc R U . . .
H15B H 0.929414 0.420373 0.578466 0.050 Uiso 1 1 calc R U . . .
H15C H 0.808747 0.457244 0.628723 0.050 Uiso 1 1 calc R U . . .
C16 C 0.8563(7) 0.3057(7) 0.6745(5) 0.0347(18) Uani 1 1 d . . . . .
H16A H 0.818132 0.357469 0.715929 0.052 Uiso 1 1 calc R U . . .
H16B H 0.945441 0.314548 0.679248 0.052 Uiso 1 1 calc R U . . .
H16C H 0.832176 0.243778 0.682663 0.052 Uiso 1 1 calc R U . . .
C17 C 0.3390(6) 0.1011(5) 0.3597(4) 0.0252(15) Uani 1 1 d . . . . .
H17 H 0.270049 0.124866 0.397441 0.030 Uiso 1 1 calc R U . . .
C18 C 0.2879(8) 0.0756(7) 0.2734(5) 0.039(2) Uani 1 1 d . . . . .
H18A H 0.247681 0.131196 0.264906 0.058 Uiso 1 1 calc R U . . .
H18B H 0.228401 0.021817 0.264844 0.058 Uiso 1 1 calc R U . . .
H18C H 0.354655 0.057155 0.234617 0.058 Uiso 1 1 calc R U . . .
C19 C 0.3854(7) 0.0117(6) 0.3781(5) 0.0353(18) Uani 1 1 d . . . . .
H19A H 0.456243 -0.011579 0.344110 0.053 Uiso 1 1 calc R U . . .
H19B H 0.320413 -0.038370 0.366181 0.053 Uiso 1 1 calc R U . . .
H19C H 0.409477 0.027506 0.435756 0.053 Uiso 1 1 calc R U . . .
C20 C 0.3596(6) 0.3042(5) 0.3749(5) 0.0254(15) Uani 1 1 d . . . . .
H20 H 0.354796 0.305799 0.316982 0.030 Uiso 1 1 calc R U . . .
C21 C 0.2278(7) 0.3026(7) 0.4052(6) 0.040(2) Uani 1 1 d . . . . .
H21A H 0.183124 0.245564 0.371177 0.060 Uiso 1 1 calc R U . . .
H21B H 0.187095 0.360361 0.401806 0.060 Uiso 1 1 calc R U . . .
H21C H 0.229066 0.300741 0.461937 0.060 Uiso 1 1 calc R U . . .
C22 C 0.4231(7) 0.3993(5) 0.4250(5) 0.0296(16) Uani 1 1 d . . . . .
H22A H 0.384432 0.453278 0.412374 0.044 Uiso 1 1 calc R U . . .
H22B H 0.509876 0.399179 0.411230 0.044 Uiso 1 1 calc R U . . .
H22C H 0.415139 0.405892 0.483341 0.044 Uiso 1 1 calc R U . . .
C23 C 0.7183(7) -0.0323(6) 0.3209(5) 0.0311(17) Uani 1 1 d . . . . .
H23 H 0.640980 -0.056646 0.289336 0.037 Uiso 1 1 calc R U . . .
C24 C 0.8082(9) -0.1132(6) 0.2996(6) 0.044(2) Uani 1 1 d . . . . .
H24A H 0.821380 -0.133042 0.240585 0.066 Uiso 1 1 calc R U . . .
H24B H 0.775072 -0.167827 0.316168 0.066 Uiso 1 1 calc R U . . .
H24C H 0.886211 -0.090831 0.328165 0.066 Uiso 1 1 calc R U . . .
C25 C 0.6877(8) -0.0080(6) 0.4119(5) 0.0351(18) Uani 1 1 d . . . . .
H25A H 0.763349 -0.003070 0.443937 0.053 Uiso 1 1 calc R U . . .
H25B H 0.633849 -0.058778 0.421035 0.053 Uiso 1 1 calc R U . . .
H25C H 0.646409 0.053249 0.428671 0.053 Uiso 1 1 calc R U . . .
C26 C 0.8587(7) 0.0396(6) 0.2062(4) 0.0275(16) Uani 1 1 d . . . . .
H26 H 0.913874 -0.010231 0.214704 0.033 Uiso 1 1 calc R U . . .
C27 C 0.7741(8) -0.0092(6) 0.1323(5) 0.0367(19) Uani 1 1 d . . . . .
H27A H 0.729140 -0.063596 0.142737 0.055 Uiso 1 1 calc R U . . .
H27B H 0.823432 -0.032140 0.083385 0.055 Uiso 1 1 calc R U . . .
H27C H 0.715958 0.037176 0.124038 0.055 Uiso 1 1 calc R U . . .
C28 C 0.9392(7) 0.1184(6) 0.1887(5) 0.0284(16) Uani 1 1 d . . . . .
H28A H 0.887607 0.164031 0.172718 0.043 Uiso 1 1 calc R U . . .
H28B H 0.994939 0.089860 0.144377 0.043 Uiso 1 1 calc R U . . .
H28C H 0.986714 0.152051 0.237846 0.043 Uiso 1 1 calc R U . . .
C29 C 0.6513(7) 0.2449(5) 0.0056(4) 0.0225(14) Uani 1 1 d . . . . .
C30 C 0.5288(6) 0.2682(5) 0.0109(4) 0.0222(14) Uani 1 1 d . . . . .
C31 C 0.4585(7) 0.2644(6) -0.0567(5) 0.0301(16) Uani 1 1 d . . . . .
H31 H 0.374835 0.280429 -0.051293 0.036 Uiso 1 1 calc R U . . .
C32 C 0.5118(8) 0.2366(6) -0.1338(4) 0.0342(18) Uani 1 1 d . . . . .
H32 H 0.463891 0.231994 -0.181231 0.041 Uiso 1 1 calc R U . . .
C33 C 0.6342(7) 0.2158(6) -0.1406(5) 0.0324(17) Uani 1 1 d . . . . .
H33 H 0.670248 0.198548 -0.192895 0.039 Uiso 1 1 calc R U . . .
C34 C 0.7063(6) 0.2199(5) -0.0715(4) 0.0254(15) Uani 1 1 d . . . . .
C35 C 0.8448(6) 0.3028(5) 0.0727(4) 0.0228(14) Uani 1 1 d . . . . .
C36 C 0.8861(6) 0.3804(5) 0.1348(4) 0.0243(15) Uani 1 1 d . . . . .
C37 C 0.9951(7) 0.4298(6) 0.1279(5) 0.0280(15) Uani 1 1 d . . . . .
H37 H 1.026248 0.480382 0.172658 0.034 Uiso 1 1 calc R U . . .
C38 C 1.0565(6) 0.4045(6) 0.0558(5) 0.0333(18) Uani 1 1 d . . . . .
H38 H 1.130276 0.437961 0.050383 0.040 Uiso 1 1 calc R U . . .
C39 C 1.0115(7) 0.3301(6) -0.0095(5) 0.0327(17) Uani 1 1 d . . . . .
H39 H 1.054971 0.314490 -0.059198 0.039 Uiso 1 1 calc R U . . .
C40 C 0.9046(7) 0.2776(6) -0.0045(4) 0.0262(15) Uani 1 1 d . . . . .
C41 C 0.7244(6) 0.2495(5) 0.0809(4) 0.0205(14) Uani 1 1 d . . . . .
H41 H 0.747933 0.181795 0.074015 0.025 Uiso 1 1 calc R U . . .
C42 C 0.8447(7) 0.2001(6) -0.0751(4) 0.0289(16) Uani 1 1 d . . . . .
C43 C 0.8987(8) 0.2056(7) -0.1565(5) 0.039(2) Uani 1 1 d . . . . .
H43A H 0.862798 0.153490 -0.201287 0.058 Uiso 1 1 calc R U . . .
H43B H 0.987526 0.199296 -0.155144 0.058 Uiso 1 1 calc R U . . .
H43C H 0.880036 0.267458 -0.164973 0.058 Uiso 1 1 calc R U . . .
C44 C 0.8680(8) 0.0999(6) -0.0666(5) 0.0349(18) Uani 1 1 d . . . . .
H44A H 0.826447 0.092164 -0.018264 0.052 Uiso 1 1 calc R U . . .
H44B H 0.956071 0.092546 -0.060987 0.052 Uiso 1 1 calc R U . . .
H44C H 0.836313 0.050927 -0.115225 0.052 Uiso 1 1 calc R U . . .
C45 C 0.3657(7) 0.3940(5) 0.1281(4) 0.0261(15) Uani 1 1 d . . . . .
H45 H 0.296370 0.365917 0.089525 0.031 Uiso 1 1 calc R U . . .
C46 C 0.4139(8) 0.4830(6) 0.1063(5) 0.0340(17) Uani 1 1 d . . . . .
H46A H 0.473998 0.518008 0.147644 0.051 Uiso 1 1 calc R U . . .
H46B H 0.345812 0.524552 0.104435 0.051 Uiso 1 1 calc R U . . .
H46C H 0.452684 0.463345 0.052891 0.051 Uiso 1 1 calc R U . . .
C47 C 0.3126(8) 0.4235(7) 0.2138(5) 0.040(2) Uani 1 1 d . . . . .
H47A H 0.272157 0.367557 0.224679 0.061 Uiso 1 1 calc R U . . .
H47B H 0.253045 0.473462 0.217773 0.061 Uiso 1 1 calc R U . . .
H47C H 0.378675 0.448215 0.253958 0.061 Uiso 1 1 calc R U . . .
C48 C 0.3697(6) 0.1919(5) 0.1133(4) 0.0256(15) Uani 1 1 d . . . . .
H48 H 0.362434 0.188185 0.170520 0.031 Uiso 1 1 calc R U . . .
C49 C 0.2388(7) 0.1949(6) 0.0816(5) 0.0364(18) Uani 1 1 d . . . . .
H49A H 0.241498 0.201962 0.026417 0.055 Uiso 1 1 calc R U . . .
H49B H 0.197452 0.249455 0.117728 0.055 Uiso 1 1 calc R U . . .
H49C H 0.193990 0.135200 0.080290 0.055 Uiso 1 1 calc R U . . .
C50 C 0.4246(7) 0.0989(5) 0.0646(5) 0.0298(16) Uani 1 1 d . . . . .
H50A H 0.382666 0.044865 0.077573 0.045 Uiso 1 1 calc R U . . .
H50B H 0.511720 0.099826 0.078339 0.045 Uiso 1 1 calc R U . . .
H50C H 0.414754 0.091884 0.006208 0.045 Uiso 1 1 calc R U . . .
C51 C 0.7253(7) 0.5341(5) 0.1886(4) 0.0275(15) Uani 1 1 d . . . . .
H51 H 0.642591 0.550474 0.212096 0.033 Uiso 1 1 calc R U . . .
C52 C 0.7117(7) 0.5137(6) 0.0954(5) 0.0318(17) Uani 1 1 d . . . . .
H52A H 0.660394 0.562027 0.083379 0.048 Uiso 1 1 calc R U . . .
H52B H 0.673472 0.449790 0.072045 0.048 Uiso 1 1 calc R U . . .
H52C H 0.792566 0.516181 0.071712 0.048 Uiso 1 1 calc R U . . .
C53 C 0.8084(9) 0.6233(6) 0.2218(6) 0.040(2) Uani 1 1 d . . . . .
H53A H 0.890799 0.610131 0.200163 0.061 Uiso 1 1 calc R U . . .
H53B H 0.811952 0.640188 0.281493 0.061 Uiso 1 1 calc R U . . .
H53C H 0.775741 0.676795 0.205152 0.061 Uiso 1 1 calc R U . . .
C54 C 0.8553(7) 0.4676(5) 0.3096(4) 0.0253(15) Uani 1 1 d . . . . .
H54 H 0.911590 0.521012 0.304914 0.030 Uiso 1 1 calc R U . . .
C55 C 0.7672(8) 0.5084(6) 0.3784(4) 0.0367(19) Uani 1 1 d . . . . .
H55A H 0.713647 0.456536 0.385989 0.055 Uiso 1 1 calc R U . . .
H55B H 0.717519 0.556567 0.364683 0.055 Uiso 1 1 calc R U . . .
H55C H 0.813602 0.538253 0.428936 0.055 Uiso 1 1 calc R U . . .
C56 C 0.9337(6) 0.3898(6) 0.3283(5) 0.0273(15) Uani 1 1 d . . . . .
H56A H 0.981259 0.417978 0.378633 0.041 Uiso 1 1 calc R U . . .
H56B H 0.989349 0.364560 0.283113 0.041 Uiso 1 1 calc R U . . .
H56C H 0.880112 0.337587 0.335063 0.041 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0.00 0.00 -1.00 0.0560
0.00 0.00 1.00 0.0150
0.00 -1.00 0.00 0.0220
0.00 1.00 0.00 0.0430
-1.00 1.00 1.00 0.0210
1.00 -1.00 -1.00 0.0230
-1.00 0.00 1.00 0.0140
1.00 0.00 -1.00 0.0250
-1.00 0.00 -1.00 0.0420
1.00 0.00 1.00 0.0330
0.00 1.00 -1.00 0.0320
0.00 -1.00 1.00 0.0220
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
H Ru1 HA 143(4) . . ?
H Ru1 HB 57(4) . . ?
HA Ru1 HB 89(3) . . ?
Ru2 Ru1 H 104(4) . . ?
Ru2 Ru1 HA 50(2) . . ?
Ru2 Ru1 HB 49(2) . . ?
P1 Ru1 H 94(3) . . ?
P1 Ru1 HA 81(2) . . ?
P1 Ru1 HB 108(2) . . ?
P1 Ru1 Ru2 119.22(5) . . ?
P2 Ru1 H 59(4) . . ?
P2 Ru1 HA 153(2) . . ?
P2 Ru1 HB 100(2) . . ?
P2 Ru1 Ru2 120.04(5) . . ?
P2 Ru1 P1 119.12(6) . . ?
C13 Ru1 H 129(4) . . ?
C13 Ru1 HA 87(2) . . ?
C13 Ru1 HB 171(2) . . ?
C13 Ru1 Ru2 123.28(18) . . ?
C13 Ru1 P1 80.03(18) . . ?
C13 Ru1 P2 79.34(18) . . ?
Ru1 Ru2 HA 47(2) . . ?
Ru1 Ru2 HB 44(2) . . ?
Ru1 Ru2 HC 122(5) . . ?
HA Ru2 HB 82(3) . . ?
HA Ru2 HC 76(6) . . ?
HB Ru2 HC 140(6) . . ?
P3 Ru2 Ru1 123.60(5) . . ?
P3 Ru2 HA 98(2) . . ?
P3 Ru2 HB 159(2) . . ?
P3 Ru2 HC 59(5) . . ?
P3 Ru2 P4 111.02(7) . . ?
P4 Ru2 Ru1 120.87(5) . . ?
P4 Ru2 HA 109(2) . . ?
P4 Ru2 HB 88(2) . . ?
P4 Ru2 HC 68(5) . . ?
C41 Ru2 Ru1 126.3(2) . . ?
C41 Ru2 HA 170(2) . . ?
C41 Ru2 HB 96(2) . . ?
C41 Ru2 HC 111(5) . . ?
C41 Ru2 P3 80.86(19) . . ?
C41 Ru2 P4 80.39(19) . . ?
C2 P1 Ru1 108.0(2) . . ?
C2 P1 C17 106.1(3) . . ?
C2 P1 C20 102.4(3) . . ?
C17 P1 Ru1 124.7(2) . . ?
C17 P1 C20 101.7(3) . . ?
C20 P1 Ru1 111.7(2) . . ?
C8 P2 Ru1 106.8(2) . . ?
C8 P2 C23 100.5(3) . . ?
C8 P2 C26 105.8(3) . . ?
C23 P2 Ru1 120.4(3) . . ?
C26 P2 Ru1 117.9(3) . . ?
C26 P2 C23 103.3(3) . . ?
C36 P3 Ru2 105.8(3) . . ?
C36 P3 C51 99.9(3) . . ?
C36 P3 C54 104.4(3) . . ?
C51 P3 Ru2 124.5(3) . . ?
C54 P3 Ru2 117.4(2) . . ?
C54 P3 C51 102.1(3) . . ?
C30 P4 Ru2 108.2(2) . . ?
C30 P4 C45 105.4(3) . . ?
C30 P4 C48 101.1(3) . . ?
C45 P4 Ru2 129.4(2) . . ?
C45 P4 C48 100.3(3) . . ?
C48 P4 Ru2 108.9(2) . . ?
C2 C1 C6 121.3(6) . . ?
C2 C1 C13 119.2(6) . . ?
C6 C1 C13 119.5(6) . . ?
C1 C2 P1 113.3(5) . . ?
C1 C2 C3 120.1(6) . . ?
C3 C2 P1 126.3(6) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 C2 119.0(7) . . ?
C4 C3 H3 120.5 . . ?
C3 C4 H4 119.6 . . ?
C5 C4 C3 120.7(7) . . ?
C5 C4 H4 119.6 . . ?
C4 C5 H5 119.1 . . ?
C4 C5 C6 121.8(7) . . ?
C6 C5 H5 119.1 . . ?
C1 C6 C5 116.9(7) . . ?
C1 C6 C14 119.0(6) . . ?
C5 C6 C14 124.1(7) . . ?
C8 C7 C12 118.4(7) . . ?
C8 C7 C13 120.8(6) . . ?
C12 C7 C13 120.6(6) . . ?
C7 C8 P2 110.4(5) . . ?
C7 C8 C9 122.1(7) . . ?
C9 C8 P2 126.1(6) . . ?
C8 C9 H9 120.7 . . ?
C10 C9 C8 118.6(7) . . ?
C10 C9 H9 120.7 . . ?
C9 C10 H10 119.7 . . ?
C9 C10 C11 120.6(7) . . ?
C11 C10 H10 119.7 . . ?
C10 C11 H11 119.6 . . ?
C12 C11 C10 120.9(7) . . ?
C12 C11 H11 119.6 . . ?
C7 C12 C14 118.0(6) . . ?
C11 C12 C7 119.2(7) . . ?
C11 C12 C14 122.8(7) . . ?
Ru1 C13 H13 103.6 . . ?
C1 C13 Ru1 118.9(5) . . ?
C1 C13 H13 103.6 . . ?
C7 C13 Ru1 117.5(4) . . ?
C7 C13 C1 107.4(6) . . ?
C7 C13 H13 103.6 . . ?
C6 C14 C15 109.2(6) . . ?
C6 C14 C16 110.2(6) . . ?
C12 C14 C6 107.5(6) . . ?
C12 C14 C15 110.1(6) . . ?
C12 C14 C16 111.7(6) . . ?
C15 C14 C16 108.0(6) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
P1 C17 H17 107.3 . . ?
C18 C17 P1 110.5(5) . . ?
C18 C17 H17 107.3 . . ?
C18 C17 C19 110.2(7) . . ?
C19 C17 P1 113.8(5) . . ?
C19 C17 H17 107.3 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
P1 C20 H20 107.3 . . ?
C21 C20 P1 117.0(6) . . ?
C21 C20 H20 107.3 . . ?
C21 C20 C22 107.7(6) . . ?
C22 C20 P1 109.9(5) . . ?
C22 C20 H20 107.3 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
P2 C23 H23 107.4 . . ?
C24 C23 P2 116.6(6) . . ?
C24 C23 H23 107.4 . . ?
C24 C23 C25 109.5(7) . . ?
C25 C23 P2 108.2(5) . . ?
C25 C23 H23 107.4 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
P2 C26 H26 107.5 . . ?
C27 C26 P2 109.6(5) . . ?
C27 C26 H26 107.5 . . ?
C28 C26 P2 113.6(5) . . ?
C28 C26 H26 107.5 . . ?
C28 C26 C27 110.9(6) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 C34 118.7(6) . . ?
C30 C29 C41 120.5(6) . . ?
C34 C29 C41 120.7(6) . . ?
C29 C30 P4 110.8(5) . . ?
C31 C30 P4 126.8(6) . . ?
C31 C30 C29 122.3(6) . . ?
C30 C31 H31 120.5 . . ?
C30 C31 C32 119.1(7) . . ?
C32 C31 H31 120.5 . . ?
C31 C32 H32 120.1 . . ?
C33 C32 C31 119.8(7) . . ?
C33 C32 H32 120.1 . . ?
C32 C33 H33 119.4 . . ?
C32 C33 C34 121.2(7) . . ?
C34 C33 H33 119.4 . . ?
C29 C34 C42 117.7(6) . . ?
C33 C34 C29 118.8(7) . . ?
C33 C34 C42 123.5(6) . . ?
C36 C35 C40 120.5(7) . . ?
C36 C35 C41 120.4(6) . . ?
C40 C35 C41 118.6(6) . . ?
C35 C36 P3 111.2(5) . . ?
C35 C36 C37 121.0(7) . . ?
C37 C36 P3 126.6(6) . . ?
C36 C37 H37 120.4 . . ?
C38 C37 C36 119.2(7) . . ?
C38 C37 H37 120.4 . . ?
C37 C38 H38 119.8 . . ?
C37 C38 C39 120.4(7) . . ?
C39 C38 H38 119.8 . . ?
C38 C39 H39 118.9 . . ?
C38 C39 C40 122.2(7) . . ?
C40 C39 H39 118.9 . . ?
C35 C40 C42 118.4(6) . . ?
C39 C40 C35 116.4(7) . . ?
C39 C40 C42 125.2(7) . . ?
Ru2 C41 H41 104.6 . . ?
C29 C41 Ru2 120.0(5) . . ?
C29 C41 C35 105.3(5) . . ?
C29 C41 H41 104.6 . . ?
C35 C41 Ru2 116.1(4) . . ?
C35 C41 H41 104.6 . . ?
C40 C42 C34 106.2(6) . . ?
C40 C42 C43 110.0(7) . . ?
C40 C42 C44 110.6(6) . . ?
C43 C42 C34 111.0(6) . . ?
C44 C42 C34 110.9(6) . . ?
C44 C42 C43 108.0(7) . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C42 C44 H44A 109.5 . . ?
C42 C44 H44B 109.5 . . ?
C42 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
P4 C45 H45 106.9 . . ?
C46 C45 P4 115.2(5) . . ?
C46 C45 H45 106.9 . . ?
C46 C45 C47 109.8(7) . . ?
C47 C45 P4 110.7(5) . . ?
C47 C45 H45 106.9 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
P4 C48 H48 106.5 . . ?
C49 C48 P4 117.6(6) . . ?
C49 C48 H48 106.5 . . ?
C50 C48 P4 110.8(5) . . ?
C50 C48 H48 106.5 . . ?
C50 C48 C49 108.3(6) . . ?
C48 C49 H49A 109.5 . . ?
C48 C49 H49B 109.5 . . ?
C48 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C48 C50 H50A 109.5 . . ?
C48 C50 H50B 109.5 . . ?
C48 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
P3 C51 H51 106.9 . . ?
C52 C51 P3 108.6(5) . . ?
C52 C51 H51 106.9 . . ?
C53 C51 P3 118.1(6) . . ?
C53 C51 H51 106.9 . . ?
C53 C51 C52 108.8(7) . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C51 C53 H53A 109.5 . . ?
C51 C53 H53B 109.5 . . ?
C51 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
P3 C54 H54 108.0 . . ?
C55 C54 P3 109.7(5) . . ?
C55 C54 H54 108.0 . . ?
C55 C54 C56 111.0(6) . . ?
C56 C54 P3 111.9(5) . . ?
C56 C54 H54 108.0 . . ?
C54 C55 H55A 109.5 . . ?
C54 C55 H55B 109.5 . . ?
C54 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C54 C56 H56A 109.5 . . ?
C54 C56 H56B 109.5 . . ?
C54 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
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
Ru1 H 1.26(8) . ?
Ru1 HA 1.88(8) . ?
Ru1 HB 1.78(8) . ?
Ru1 Ru2 2.5714(7) . ?
Ru1 P1 2.2841(17) . ?
Ru1 P2 2.2738(18) . ?
Ru1 C13 2.182(7) . ?
Ru2 HA 1.98(8) . ?
Ru2 HB 1.94(8) . ?
Ru2 HC 0.82(9) . ?
Ru2 P3 2.2525(18) . ?
Ru2 P4 2.2588(18) . ?
Ru2 C41 2.143(6) . ?
P1 C2 1.817(7) . ?
P1 C17 1.861(7) . ?
P1 C20 1.871(7) . ?
P2 C8 1.825(8) . ?
P2 C23 1.870(8) . ?
P2 C26 1.838(7) . ?
P3 C36 1.828(7) . ?
P3 C51 1.873(8) . ?
P3 C54 1.870(7) . ?
P4 C30 1.852(7) . ?
P4 C45 1.855(7) . ?
P4 C48 1.899(7) . ?
C1 C2 1.387(10) . ?
C1 C6 1.406(10) . ?
C1 C13 1.526(9) . ?
C2 C3 1.401(10) . ?
C3 H3 0.9500 . ?
C3 C4 1.386(11) . ?
C4 H4 0.9500 . ?
C4 C5 1.369(12) . ?
C5 H5 0.9500 . ?
C5 C6 1.411(10) . ?
C6 C14 1.547(10) . ?
C7 C8 1.388(11) . ?
C7 C12 1.431(10) . ?
C7 C13 1.497(10) . ?
C8 C9 1.393(10) . ?
C9 H9 0.9500 . ?
C9 C10 1.385(12) . ?
C10 H10 0.9500 . ?
C10 C11 1.403(12) . ?
C11 H11 0.9500 . ?
C11 C12 1.374(11) . ?
C12 C14 1.521(11) . ?
C13 H13 1.0000 . ?
C14 C15 1.549(11) . ?
C14 C16 1.552(10) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17 1.0000 . ?
C17 C18 1.516(11) . ?
C17 C19 1.525(11) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20 1.0000 . ?
C20 C21 1.538(10) . ?
C20 C22 1.546(10) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23 1.0000 . ?
C23 C24 1.522(11) . ?
C23 C25 1.536(11) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26 1.0000 . ?
C26 C27 1.546(11) . ?
C26 C28 1.524(11) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.389(10) . ?
C29 C34 1.409(10) . ?
C29 C41 1.498(10) . ?
C30 C31 1.374(11) . ?
C31 H31 0.9500 . ?
C31 C32 1.400(11) . ?
C32 H32 0.9500 . ?
C32 C33 1.379(12) . ?
C33 H33 0.9500 . ?
C33 C34 1.404(11) . ?
C34 C42 1.548(10) . ?
C35 C36 1.372(11) . ?
C35 C40 1.433(9) . ?
C35 C41 1.537(9) . ?
C36 C37 1.398(10) . ?
C37 H37 0.9500 . ?
C37 C38 1.368(11) . ?
C38 H38 0.9500 . ?
C38 C39 1.388(12) . ?
C39 H39 0.9500 . ?
C39 C40 1.395(11) . ?
C40 C42 1.524(11) . ?
C41 H41 1.0000 . ?
C42 C43 1.540(10) . ?
C42 C44 1.537(11) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45 1.0000 . ?
C45 C46 1.528(11) . ?
C45 C47 1.529(10) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48 1.0000 . ?
C48 C49 1.536(11) . ?
C48 C50 1.514(10) . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51 1.0000 . ?
C51 C52 1.542(10) . ?
C51 C53 1.528(11) . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54 1.0000 . ?
C54 C55 1.522(10) . ?
C54 C56 1.544(10) . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 P1 C2 C1 8.0(6) . . . . ?
Ru1 P1 C2 C3 -177.5(6) . . . . ?
Ru1 P1 C17 C18 -57.9(7) . . . . ?
Ru1 P1 C17 C19 66.7(6) . . . . ?
Ru1 P1 C20 C21 166.0(5) . . . . ?
Ru1 P1 C20 C22 -70.8(5) . . . . ?
Ru1 P2 C8 C7 23.2(5) . . . . ?
Ru1 P2 C8 C9 -170.4(6) . . . . ?
Ru1 P2 C23 C24 167.3(6) . . . . ?
Ru1 P2 C23 C25 -68.9(6) . . . . ?
Ru1 P2 C26 C27 -63.5(6) . . . . ?
Ru1 P2 C26 C28 61.2(6) . . . . ?
Ru2 P3 C36 C35 23.0(6) . . . . ?
Ru2 P3 C36 C37 -169.7(6) . . . . ?
Ru2 P3 C51 C52 -72.0(6) . . . . ?
Ru2 P3 C51 C53 163.6(5) . . . . ?
Ru2 P3 C54 C55 -66.1(6) . . . . ?
Ru2 P3 C54 C56 57.6(6) . . . . ?
Ru2 P4 C30 C29 3.4(6) . . . . ?
Ru2 P4 C30 C31 -179.2(6) . . . . ?
Ru2 P4 C45 C46 73.8(6) . . . . ?
Ru2 P4 C45 C47 -51.6(7) . . . . ?
Ru2 P4 C48 C49 164.2(5) . . . . ?
Ru2 P4 C48 C50 -70.5(6) . . . . ?
P1 C2 C3 C4 -174.6(6) . . . . ?
P2 C8 C9 C10 -160.9(6) . . . . ?
P3 C36 C37 C38 -161.4(6) . . . . ?
P4 C30 C31 C32 -177.4(6) . . . . ?
C1 C2 C3 C4 -0.5(11) . . . . ?
C1 C6 C14 C12 -40.1(9) . . . . ?
C1 C6 C14 C15 79.4(8) . . . . ?
C1 C6 C14 C16 -162.1(7) . . . . ?
C2 P1 C17 C18 175.9(6) . . . . ?
C2 P1 C17 C19 -59.5(6) . . . . ?
C2 P1 C20 C21 -78.6(6) . . . . ?
C2 P1 C20 C22 44.6(6) . . . . ?
C2 C1 C6 C5 -2.2(10) . . . . ?
C2 C1 C6 C14 177.4(7) . . . . ?
C2 C1 C13 Ru1 -0.8(9) . . . . ?
C2 C1 C13 C7 -137.3(7) . . . . ?
C2 C3 C4 C5 -2.0(12) . . . . ?
C3 C4 C5 C6 2.4(13) . . . . ?
C4 C5 C6 C1 -0.3(12) . . . . ?
C4 C5 C6 C14 -179.8(8) . . . . ?
C5 C6 C14 C12 139.5(7) . . . . ?
C5 C6 C14 C15 -101.1(8) . . . . ?
C5 C6 C14 C16 17.4(11) . . . . ?
C6 C1 C2 P1 177.5(5) . . . . ?
C6 C1 C2 C3 2.6(11) . . . . ?
C6 C1 C13 Ru1 176.8(5) . . . . ?
C6 C1 C13 C7 40.4(8) . . . . ?
C7 C8 C9 C10 3.9(11) . . . . ?
C7 C12 C14 C6 39.7(8) . . . . ?
C7 C12 C14 C15 -79.2(8) . . . . ?
C7 C12 C14 C16 160.7(6) . . . . ?
C8 P2 C23 C24 -76.0(7) . . . . ?
C8 P2 C23 C25 47.9(6) . . . . ?
C8 P2 C26 C27 177.2(5) . . . . ?
C8 P2 C26 C28 -58.1(6) . . . . ?
C8 C7 C12 C11 4.7(10) . . . . ?
C8 C7 C12 C14 -174.2(6) . . . . ?
C8 C7 C13 Ru1 -3.2(8) . . . . ?
C8 C7 C13 C1 133.9(7) . . . . ?
C8 C9 C10 C11 -0.4(11) . . . . ?
C9 C10 C11 C12 -0.8(12) . . . . ?
C10 C11 C12 C7 -1.3(11) . . . . ?
C10 C11 C12 C14 177.5(7) . . . . ?
C11 C12 C14 C6 -139.2(7) . . . . ?
C11 C12 C14 C15 101.9(8) . . . . ?
C11 C12 C14 C16 -18.1(10) . . . . ?
C12 C7 C8 P2 160.9(5) . . . . ?
C12 C7 C8 C9 -6.0(10) . . . . ?
C12 C7 C13 Ru1 -177.9(5) . . . . ?
C12 C7 C13 C1 -40.8(8) . . . . ?
C13 C1 C2 P1 -4.9(8) . . . . ?
C13 C1 C2 C3 -179.8(6) . . . . ?
C13 C1 C6 C5 -179.8(7) . . . . ?
C13 C1 C6 C14 -0.2(10) . . . . ?
C13 C7 C8 P2 -13.9(8) . . . . ?
C13 C7 C8 C9 179.2(6) . . . . ?
C13 C7 C12 C11 179.5(6) . . . . ?
C13 C7 C12 C14 0.6(10) . . . . ?
C17 P1 C2 C1 143.8(5) . . . . ?
C17 P1 C2 C3 -41.7(7) . . . . ?
C17 P1 C20 C21 31.0(7) . . . . ?
C17 P1 C20 C22 154.2(5) . . . . ?
C20 P1 C2 C1 -110.0(6) . . . . ?
C20 P1 C2 C3 64.5(7) . . . . ?
C20 P1 C17 C18 69.1(6) . . . . ?
C20 P1 C17 C19 -166.3(5) . . . . ?
C23 P2 C8 C7 -103.2(5) . . . . ?
C23 P2 C8 C9 63.1(7) . . . . ?
C23 P2 C26 C27 72.1(6) . . . . ?
C23 P2 C26 C28 -163.3(6) . . . . ?
C26 P2 C8 C7 149.7(5) . . . . ?
C26 P2 C8 C9 -44.0(7) . . . . ?
C26 P2 C23 C24 33.1(8) . . . . ?
C26 P2 C23 C25 157.0(5) . . . . ?
C29 C30 C31 C32 -0.3(11) . . . . ?
C29 C34 C42 C40 -42.5(9) . . . . ?
C29 C34 C42 C43 -162.0(7) . . . . ?
C29 C34 C42 C44 77.8(8) . . . . ?
C30 P4 C45 C46 -56.4(6) . . . . ?
C30 P4 C45 C47 178.2(6) . . . . ?
C30 P4 C48 C49 -81.9(6) . . . . ?
C30 P4 C48 C50 43.4(6) . . . . ?
C30 C29 C34 C33 -2.4(11) . . . . ?
C30 C29 C34 C42 176.4(7) . . . . ?
C30 C29 C41 Ru2 -0.3(9) . . . . ?
C30 C29 C41 C35 -133.4(7) . . . . ?
C30 C31 C32 C33 -1.6(12) . . . . ?
C31 C32 C33 C34 1.5(13) . . . . ?
C32 C33 C34 C29 0.5(12) . . . . ?
C32 C33 C34 C42 -178.3(8) . . . . ?
C33 C34 C42 C40 136.3(8) . . . . ?
C33 C34 C42 C43 16.8(11) . . . . ?
C33 C34 C42 C44 -103.4(9) . . . . ?
C34 C29 C30 P4 179.9(6) . . . . ?
C34 C29 C30 C31 2.4(11) . . . . ?
C34 C29 C41 Ru2 177.6(5) . . . . ?
C34 C29 C41 C35 44.5(8) . . . . ?
C35 C36 C37 C38 4.7(11) . . . . ?
C35 C40 C42 C34 42.2(9) . . . . ?
C35 C40 C42 C43 162.4(7) . . . . ?
C35 C40 C42 C44 -78.2(8) . . . . ?
C36 P3 C51 C52 45.0(6) . . . . ?
C36 P3 C51 C53 -79.4(7) . . . . ?
C36 P3 C54 C55 177.2(5) . . . . ?
C36 P3 C54 C56 -59.0(6) . . . . ?
C36 C35 C40 C39 5.8(10) . . . . ?
C36 C35 C40 C42 -171.4(7) . . . . ?
C36 C35 C41 Ru2 -7.0(9) . . . . ?
C36 C35 C41 C29 128.2(7) . . . . ?
C36 C37 C38 C39 -0.5(12) . . . . ?
C37 C38 C39 C40 -1.0(12) . . . . ?
C38 C39 C40 C35 -1.6(11) . . . . ?
C38 C39 C40 C42 175.4(8) . . . . ?
C39 C40 C42 C34 -134.7(8) . . . . ?
C39 C40 C42 C43 -14.5(11) . . . . ?
C39 C40 C42 C44 104.8(8) . . . . ?
C40 C35 C36 P3 160.6(5) . . . . ?
C40 C35 C36 C37 -7.5(11) . . . . ?
C40 C35 C41 Ru2 -179.2(5) . . . . ?
C40 C35 C41 C29 -44.0(8) . . . . ?
C41 C29 C30 P4 -2.2(8) . . . . ?
C41 C29 C30 C31 -179.7(7) . . . . ?
C41 C29 C34 C33 179.6(7) . . . . ?
C41 C29 C34 C42 -1.5(10) . . . . ?
C41 C35 C36 P3 -11.5(9) . . . . ?
C41 C35 C36 C37 -179.6(7) . . . . ?
C41 C35 C40 C39 178.1(7) . . . . ?
C41 C35 C40 C42 0.9(10) . . . . ?
C45 P4 C30 C29 145.0(5) . . . . ?
C45 P4 C30 C31 -37.7(7) . . . . ?
C45 P4 C48 C49 26.2(6) . . . . ?
C45 P4 C48 C50 151.5(6) . . . . ?
C48 P4 C30 C29 -110.9(5) . . . . ?
C48 P4 C30 C31 66.5(7) . . . . ?
C48 P4 C45 C46 -161.1(6) . . . . ?
C48 P4 C45 C47 73.5(6) . . . . ?
C51 P3 C36 C35 -107.2(6) . . . . ?
C51 P3 C36 C37 60.1(7) . . . . ?
C51 P3 C54 C55 73.6(6) . . . . ?
C51 P3 C54 C56 -162.7(5) . . . . ?
C54 P3 C36 C35 147.5(5) . . . . ?
C54 P3 C36 C37 -45.2(7) . . . . ?
C54 P3 C51 C52 152.2(5) . . . . ?
C54 P3 C51 C53 27.7(7) . . . . ?
