#------------------------------------------------------------------------------
#$Date: 2017-12-10 03:43:04 +0200 (Sun, 10 Dec 2017) $
#$Revision: 204124 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/11/90/7119054.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_7119054
loop_
_publ_author_name
'Daniel Fink'
'Bernhard Weibert'
'Rainer F. Winter'
_publ_section_title
;
 Redox-active tetraruthenium metallacycles: reversible release of up to
 eight electrons resulting in strong electrochromism
;
_journal_name_full               Chem.Commun.
_journal_page_first              6103
_journal_volume                  52
_journal_year                    2016
_chemical_formula_moiety         'C140 H218 N2 O16 P8 Ru4, 8(C H2 Cl2)'
_chemical_formula_sum            'C148 H234 Cl16 N2 O16 P8 Ru4'
_chemical_formula_weight         3516.60
_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   geom
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-01-28 deposited with the CCDC.
2016-03-29 downloaded from the CCDC.
;
_cell_angle_alpha                94.410(12)
_cell_angle_beta                 99.289(12)
_cell_angle_gamma                107.587(12)
_cell_formula_units_Z            1
_cell_length_a                   11.6168(19)
_cell_length_b                   16.816(2)
_cell_length_c                   23.594(4)
_cell_measurement_reflns_used    20819
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.74
_cell_measurement_theta_min      1.45
_cell_volume                     4297.1(12)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2398
_diffrn_reflns_av_unetI/netI     0.1809
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            58713
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.028
_diffrn_reflns_theta_min         1.651
_exptl_absorpt_coefficient_mu    0.724
_exptl_absorpt_correction_T_max  0.9823
_exptl_absorpt_correction_T_min  0.8354
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'STOE X-RED32'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.359
_exptl_crystal_description       plate
_exptl_crystal_F_000             1832
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.267
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.056
_refine_diff_density_min         -1.347
_refine_diff_density_rms         0.154
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.981
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     900
_refine_ls_number_reflns         16746
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.981
_refine_ls_R_factor_all          0.1538
_refine_ls_R_factor_gt           0.0951
_refine_ls_shift/su_max          5.603
_refine_ls_shift/su_mean         0.074
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1375P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2303
_refine_ls_wR_factor_ref         0.2646
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9590
_reflns_number_total             16746
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6cc00936k2.cif
_cod_data_source_block           added_by_encifer_1
_cod_original_cell_volume        4297.0(12)
_cod_database_code               7119054
#BEGIN Tags that were not found in dictionaries:
_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.
;
#END Tags that were not found in dictionaries
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-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 0.44531(6) 0.69943(4) 0.23767(3) 0.02912(18) Uani 1 1 d . . . . .
Ru2 Ru -0.10481(6) 0.21045(4) 0.32734(3) 0.03075(19) Uani 1 1 d . . . . .
N1 N -0.1552(6) 0.4312(5) 0.0731(3) 0.0365(16) Uani 1 1 d . . . . .
O1 O 0.6115(6) 0.8379(4) 0.1895(3) 0.0415(14) Uani 1 1 d . . . . .
O2 O 0.2991(5) 0.5945(4) 0.2595(2) 0.0335(13) Uani 1 1 d . . . . .
O3 O 0.2796(5) 0.6174(3) 0.1688(2) 0.0322(12) Uani 1 1 d . . . . .
O4 O -0.2848(5) 0.0583(4) 0.3548(3) 0.0426(15) Uani 1 1 d . . . . .
O5 O 0.0180(5) 0.3200(4) 0.2991(2) 0.0362(13) Uani 1 1 d . . . . .
O6 O -0.1670(5) 0.2654(4) 0.2457(2) 0.0358(13) Uani 1 1 d . . . . .
O7 O -0.1534(7) 0.7087(4) -0.0442(3) 0.0531(17) Uani 1 1 d . . . . .
O8 O -0.4197(7) 0.1001(4) -0.0263(3) 0.0587(19) Uani 1 1 d . . . . .
P1 P 0.33071(19) 0.79203(14) 0.25844(9) 0.0330(5) Uani 1 1 d . . . . .
P2 P 0.5570(2) 0.60478(15) 0.21657(10) 0.0368(5) Uani 1 1 d . . . . .
P3 P -0.1894(2) 0.29942(15) 0.38113(10) 0.0388(5) Uani 1 1 d . . . . .
P4 P -0.0352(2) 0.11930(15) 0.26783(10) 0.0372(5) Uani 1 1 d . . . . .
Cl1 Cl -0.0655(7) 0.0574(4) -0.0629(3) 0.147(2) Uani 1 1 d . . . . .
Cl2 Cl 0.1746(6) 0.1329(3) -0.0917(2) 0.1280(18) Uani 1 1 d . . . . .
Cl3 Cl -0.5596(4) 0.0832(3) 0.1257(2) 0.1016(13) Uani 1 1 d . . . . .
Cl4 Cl -0.5382(4) 0.2585(3) 0.1428(2) 0.0953(12) Uani 1 1 d . . . . .
Cl5 Cl 0.2825(5) -0.0581(4) 0.4851(2) 0.1209(17) Uani 1 1 d . . . . .
Cl6 Cl 0.3912(4) 0.0937(3) 0.4371(3) 0.1218(17) Uani 1 1 d . . . . .
Cl7 Cl 0.4269(9) 0.3792(6) 0.4242(5) 0.235(4) Uani 1 1 d . . . . .
Cl8 Cl 0.3603(12) 0.5323(9) 0.4336(7) 0.300(6) Uani 1 1 d . . . . .
C1 C 0.0106(8) 0.2065(5) 0.4004(4) 0.0370(19) Uani 1 1 d . . . . .
H1 H 0.0858 0.2519 0.4077 0.044 Uiso 1 1 calc R U . . .
C2 C 0.0049(8) 0.1546(5) 0.4404(4) 0.039(2) Uani 1 1 d . . . . .
H2 H -0.0637 0.1045 0.4334 0.047 Uiso 1 1 calc R U . . .
C3 C 0.0965(8) 0.1681(6) 0.4953(4) 0.039(2) Uani 1 1 d . . . . .
C4 C 0.0683(9) 0.1153(6) 0.5375(4) 0.049(2) Uani 1 1 d . . . . .
H4 H -0.0066 0.0697 0.5297 0.059 Uiso 1 1 calc R U . . .
C5 C 0.1469(8) 0.1280(6) 0.5901(4) 0.043(2) Uani 1 1 d . . . . .
H5 H 0.1246 0.0906 0.6176 0.051 Uiso 1 1 calc R U . . .
C6 C 0.2571(8) 0.1931(5) 0.6042(4) 0.0345(18) Uani 1 1 d . . . . .
C7 C 0.2898(10) 0.2429(7) 0.5619(4) 0.060(3) Uani 1 1 d . . . . .
H7 H 0.3671 0.2862 0.5695 0.072 Uiso 1 1 calc R U . . .
C8 C 0.2114(9) 0.2311(7) 0.5081(4) 0.056(3) Uani 1 1 d . . . . .
H8 H 0.2366 0.2663 0.4797 0.067 Uiso 1 1 calc R U . . .
C9 C 0.6667(7) 0.7938(5) 0.3369(3) 0.0329(18) Uani 1 1 d . . . . .
H9 H 0.7010 0.8299 0.3106 0.040 Uiso 1 1 calc R U . . .
C10 C 0.5551(7) 0.7372(5) 0.3163(4) 0.0325(17) Uani 1 1 d . . . . .
H10 H 0.5201 0.7083 0.3456 0.039 Uiso 1 1 calc R U . . .
C11 C 0.5458(7) 0.7812(6) 0.2088(4) 0.036(2) Uani 1 1 d . . . . .
C12 C 0.2474(8) 0.8205(6) 0.1924(4) 0.044(2) Uani 1 1 d . . . . .
H12 H 0.2182 0.8676 0.2058 0.053 Uiso 1 1 calc R U . . .
C13 C 0.1343(8) 0.7503(6) 0.1596(4) 0.046(2) Uani 1 1 d . . . . .
H13A H 0.0956 0.7706 0.1262 0.070 Uiso 1 1 calc R U . . .
H13B H 0.0757 0.7326 0.1853 0.070 Uiso 1 1 calc R U . . .
H13C H 0.1588 0.7023 0.1462 0.070 Uiso 1 1 calc R U . . .
C14 C 0.3355(9) 0.8548(7) 0.1508(4) 0.053(3) Uani 1 1 d . . . . .
H14A H 0.3632 0.8097 0.1351 0.079 Uiso 1 1 calc R U . . .
H14B H 0.4069 0.9011 0.1721 0.079 Uiso 1 1 calc R U . . .
H14C H 0.2922 0.8754 0.1190 0.079 Uiso 1 1 calc R U . . .
C15 C 0.4308(8) 0.8973(6) 0.2986(4) 0.044(2) Uani 1 1 d . . . . .
H15 H 0.5115 0.9092 0.2857 0.053 Uiso 1 1 calc R U . . .
C16 C 0.3850(9) 0.9727(6) 0.2864(5) 0.050(2) Uani 1 1 d . . . . .
H16A H 0.3088 0.9662 0.3010 0.075 Uiso 1 1 calc R U . . .
H16B H 0.3693 0.9748 0.2446 0.075 Uiso 1 1 calc R U . . .
H16C H 0.4479 1.0250 0.3059 0.075 Uiso 1 1 calc R U . . .
C17 C 0.4582(9) 0.8945(6) 0.3635(4) 0.047(2) Uani 1 1 d . . . . .
H17A H 0.5267 0.9446 0.3821 0.071 Uiso 1 1 calc R U . . .
H17B H 0.4805 0.8439 0.3707 0.071 Uiso 1 1 calc R U . . .
H17C H 0.3850 0.8931 0.3796 0.071 Uiso 1 1 calc R U . . .
C18 C 0.2048(8) 0.7457(6) 0.2970(4) 0.044(2) Uani 1 1 d . . . . .
H18 H 0.1480 0.6955 0.2700 0.053 Uiso 1 1 calc R U . . .
C19 C 0.1247(9) 0.8014(7) 0.3087(5) 0.057(3) Uani 1 1 d . . . . .
H19A H 0.0606 0.7714 0.3289 0.086 Uiso 1 1 calc R U . . .
H19B H 0.0863 0.8139 0.2718 0.086 Uiso 1 1 calc R U . . .
H19C H 0.1765 0.8540 0.3329 0.086 Uiso 1 1 calc R U . . .
C20 C 0.2432(9) 0.7111(7) 0.3533(4) 0.049(2) Uani 1 1 d . . . . .
H20A H 0.2802 0.7577 0.3850 0.074 Uiso 1 1 calc R U . . .
H20B H 0.3032 0.6824 0.3476 0.074 Uiso 1 1 calc R U . . .
H20C H 0.1704 0.6711 0.3630 0.074 Uiso 1 1 calc R U . . .
C21 C 0.5072(8) 0.5574(6) 0.1396(4) 0.045(2) Uani 1 1 d . . . . .
H21 H 0.4183 0.5241 0.1354 0.054 Uiso 1 1 calc R U . . .
C22 C 0.5101(9) 0.6215(7) 0.0965(4) 0.051(2) Uani 1 1 d . . . . .
H22A H 0.5957 0.6545 0.0968 0.076 Uiso 1 1 calc R U . . .
H22B H 0.4652 0.6592 0.1077 0.076 Uiso 1 1 calc R U . . .
H22C H 0.4711 0.5917 0.0575 0.076 Uiso 1 1 calc R U . . .
C23 C 0.5687(10) 0.4940(7) 0.1190(5) 0.063(3) Uani 1 1 d . . . . .
H23A H 0.5232 0.4641 0.0808 0.094 Uiso 1 1 calc R U . . .
H23B H 0.5682 0.4535 0.1468 0.094 Uiso 1 1 calc R U . . .
H23C H 0.6539 0.5242 0.1165 0.094 Uiso 1 1 calc R U . . .
C24 C 0.7292(8) 0.6529(6) 0.2341(4) 0.044(2) Uani 1 1 d . . . . .
H24 H 0.7466 0.6915 0.2711 0.052 Uiso 1 1 calc R U . . .
C25 C 0.7799(8) 0.7079(7) 0.1923(4) 0.051(3) Uani 1 1 d . . . . .
H25A H 0.8667 0.7393 0.2080 0.076 Uiso 1 1 calc R U . . .
H25B H 0.7338 0.7475 0.1855 0.076 Uiso 1 1 calc R U . . .
H25C H 0.7730 0.6734 0.1557 0.076 Uiso 1 1 calc R U . . .
C26 C 0.8033(9) 0.5923(7) 0.2478(5) 0.060(3) Uani 1 1 d . . . . .
H26A H 0.7846 0.5489 0.2144 0.091 Uiso 1 1 calc R U . . .
H26B H 0.7808 0.5656 0.2817 0.091 Uiso 1 1 calc R U . . .
H26C H 0.8915 0.6238 0.2560 0.091 Uiso 1 1 calc R U . . .
C27 C 0.5296(9) 0.5103(6) 0.2555(5) 0.056(3) Uani 1 1 d . . . . .
H27 H 0.5924 0.4830 0.2484 0.067 Uiso 1 1 calc R U . . .
C28 C 0.4062(10) 0.4447(7) 0.2368(6) 0.065(3) Uani 1 1 d . . . . .
H28A H 0.4003 0.3990 0.2607 0.097 Uiso 1 1 calc R U . . .
H28B H 0.3956 0.4222 0.1960 0.097 Uiso 1 1 calc R U . . .
H28C H 0.3418 0.4698 0.2413 0.097 Uiso 1 1 calc R U . . .
C29 C 0.5533(12) 0.5379(8) 0.3213(5) 0.070(3) Uani 1 1 d . . . . .
H29A H 0.4917 0.5633 0.3302 0.104 Uiso 1 1 calc R U . . .
H29B H 0.6357 0.5792 0.3337 0.104 Uiso 1 1 calc R U . . .
H29C H 0.5477 0.4888 0.3418 0.104 Uiso 1 1 calc R U . . .
C30 C 0.2380(7) 0.5781(5) 0.2083(3) 0.0283(16) Uani 1 1 d . . . . .
C31 C 0.1171(7) 0.5106(5) 0.1941(3) 0.0325(18) Uani 1 1 d . . . . .
C32 C 0.0374(7) 0.5030(5) 0.1414(3) 0.0342(18) Uani 1 1 d . . . . .
H32 H 0.0616 0.5423 0.1153 0.041 Uiso 1 1 calc R U . . .
C33 C -0.0752(7) 0.4405(5) 0.1261(3) 0.0312(17) Uani 1 1 d . . . . .
C34 C -0.1090(8) 0.3817(5) 0.1649(3) 0.0350(18) Uani 1 1 d . . . . .
H34 H -0.1863 0.3383 0.1557 0.042 Uiso 1 1 calc R U . . .
C35 C -0.0283(7) 0.3874(5) 0.2170(3) 0.0295(17) Uani 1 1 d . . . . .
C36 C 0.0829(7) 0.4527(5) 0.2323(4) 0.0306(17) Uani 1 1 d . . . . .
H36 H 0.1352 0.4578 0.2687 0.037 Uiso 1 1 calc R U . . .
C37 C -0.1572(7) 0.5002(5) 0.0423(3) 0.0346(18) Uani 1 1 d . . . . .
C38 C -0.1338(8) 0.5794(6) 0.0722(4) 0.0371(19) Uani 1 1 d . . . . .
H38 H -0.1173 0.5872 0.1134 0.045 Uiso 1 1 calc R U . . .
C39 C -0.1342(8) 0.6481(6) 0.0421(4) 0.041(2) Uani 1 1 d . . . . .
H39 H -0.1176 0.7022 0.0630 0.049 Uiso 1 1 calc R U . . .
C40 C -0.1589(8) 0.6373(6) -0.0181(4) 0.039(2) Uani 1 1 d . . . . .
C41 C -0.1866(8) 0.5580(6) -0.0477(4) 0.039(2) Uani 1 1 d . . . . .
H41 H -0.2072 0.5501 -0.0888 0.047 Uiso 1 1 calc R U . . .
C42 C -0.1852(8) 0.4893(5) -0.0187(3) 0.0337(18) Uani 1 1 d . . . . .
H42 H -0.2030 0.4352 -0.0400 0.040 Uiso 1 1 calc R U . . .
C43 C -0.1748(12) 0.7012(8) -0.1045(5) 0.067(3) Uani 1 1 d . . . . .
H43A H -0.2530 0.6569 -0.1204 0.100 Uiso 1 1 calc R U . . .
H43B H -0.1078 0.6868 -0.1185 0.100 Uiso 1 1 calc R U . . .
H43C H -0.1788 0.7548 -0.1169 0.100 Uiso 1 1 calc R U . . .
C44 C -0.2251(8) 0.3470(5) 0.0448(3) 0.0362(19) Uani 1 1 d . . . . .
C45 C -0.3511(8) 0.3225(6) 0.0310(4) 0.043(2) Uani 1 1 d . . . . .
H45 H -0.3914 0.3623 0.0391 0.051 Uiso 1 1 calc R U . . .
C46 C -0.4223(8) 0.2410(6) 0.0054(4) 0.045(2) Uani 1 1 d . . . . .
H46 H -0.5093 0.2258 -0.0053 0.054 Uiso 1 1 calc R U . . .
C47 C -0.3614(9) 0.1832(6) -0.0037(4) 0.047(2) Uani 1 1 d . . . . .
C48 C -0.2332(9) 0.2066(6) 0.0104(4) 0.049(2) Uani 1 1 d . . . . .
H48 H -0.1916 0.1673 0.0030 0.059 Uiso 1 1 calc R U . . .
C49 C -0.1681(9) 0.2885(6) 0.0353(4) 0.044(2) Uani 1 1 d . . . . .
H49 H -0.0810 0.3045 0.0461 0.053 Uiso 1 1 calc R U . . .
C50 C -0.5499(12) 0.0752(7) -0.0459(5) 0.073(4) Uani 1 1 d . . . . .
H50A H -0.5688 0.1062 -0.0778 0.109 Uiso 1 1 calc R U . . .
H50B H -0.5887 0.0878 -0.0139 0.109 Uiso 1 1 calc R U . . .
H50C H -0.5816 0.0146 -0.0595 0.109 Uiso 1 1 calc R U . . .
C51 C -0.0618(8) 0.3209(5) 0.2554(3) 0.0344(18) Uani 1 1 d . . . . .
C52 C -0.2153(7) 0.1190(6) 0.3438(3) 0.0351(19) Uani 1 1 d . . . . .
C53 C -0.3466(9) 0.2938(6) 0.3457(4) 0.046(2) Uani 1 1 d . . . . .
H53 H -0.3823 0.3208 0.3746 0.055 Uiso 1 1 calc R U . . .
C54 C -0.3558(11) 0.3363(8) 0.2923(5) 0.063(3) Uani 1 1 d . . . . .
H54A H -0.3171 0.3134 0.2639 0.094 Uiso 1 1 calc R U . . .
H54B H -0.3136 0.3969 0.3025 0.094 Uiso 1 1 calc R U . . .
H54C H -0.4426 0.3263 0.2756 0.094 Uiso 1 1 calc R U . . .
C55 C -0.4291(8) 0.2017(7) 0.3289(5) 0.053(3) Uani 1 1 d . . . . .
H55A H -0.5156 0.1992 0.3209 0.080 Uiso 1 1 calc R U . . .
H55B H -0.4154 0.1697 0.3610 0.080 Uiso 1 1 calc R U . . .
H55C H -0.4088 0.1774 0.2943 0.080 Uiso 1 1 calc R U . . .
C56 C -0.2081(11) 0.2713(8) 0.4548(4) 0.060(3) Uani 1 1 d . . . . .
H56 H -0.2240 0.2092 0.4519 0.072 Uiso 1 1 calc R U . . .
C57 C -0.3148(14) 0.2868(11) 0.4771(5) 0.088(5) Uani 1 1 d . . . . .
H57A H -0.3249 0.2605 0.5124 0.131 Uiso 1 1 calc R U . . .
H57B H -0.3901 0.2624 0.4476 0.131 Uiso 1 1 calc R U . . .
H57C H -0.2989 0.3475 0.4859 0.131 Uiso 1 1 calc R U . . .
C58 C -0.0891(11) 0.3112(8) 0.5002(4) 0.064(3) Uani 1 1 d . . . . .
H58A H -0.0180 0.3121 0.4825 0.076 Uiso 1 1 calc R U . . .
H58B H -0.0902 0.2780 0.5326 0.076 Uiso 1 1 calc R U . . .
H58C H -0.0832 0.3688 0.5144 0.076 Uiso 1 1 calc R U . . .
C59 C -0.1088(10) 0.4141(6) 0.3865(5) 0.057(3) Uani 1 1 d . . . . .
H59 H -0.1156 0.4257 0.3454 0.069 Uiso 1 1 calc R U . . .
C60 C -0.1673(13) 0.4721(8) 0.4148(5) 0.069(3) Uani 1 1 d . . . . .
H60A H -0.1768 0.4579 0.4537 0.104 Uiso 1 1 calc R U . . .
H60B H -0.2482 0.4651 0.3913 0.104 Uiso 1 1 calc R U . . .
H60C H -0.1145 0.5306 0.4177 0.104 Uiso 1 1 calc R U . . .
C61 C 0.0317(10) 0.4391(7) 0.4100(5) 0.062(3) Uani 1 1 d . . . . .
H61A H 0.0703 0.4990 0.4078 0.092 Uiso 1 1 calc R U . . .
H61B H 0.0672 0.4055 0.3866 0.092 Uiso 1 1 calc R U . . .
H61C H 0.0463 0.4287 0.4504 0.092 Uiso 1 1 calc R U . . .
C62 C -0.0283(8) 0.0224(6) 0.2999(4) 0.042(2) Uani 1 1 d . . . . .
H62 H -0.0924 0.0113 0.3245 0.051 Uiso 1 1 calc R U . . .
C63 C 0.0961(9) 0.0369(7) 0.3426(4) 0.049(2) Uani 1 1 d . . . . .
H63A H 0.0847 -0.0055 0.3693 0.074 Uiso 1 1 calc R U . . .
H63B H 0.1226 0.0932 0.3647 0.074 Uiso 1 1 calc R U . . .
H63C H 0.1588 0.0319 0.3206 0.074 Uiso 1 1 calc R U . . .
C64 C -0.0603(9) -0.0587(6) 0.2585(5) 0.051(2) Uani 1 1 d . . . . .
H64A H -0.0009 -0.0520 0.2327 0.077 Uiso 1 1 calc R U . . .
H64B H -0.1433 -0.0712 0.2354 0.077 Uiso 1 1 calc R U . . .
H64C H -0.0575 -0.1051 0.2808 0.077 Uiso 1 1 calc R U . . .
C65 C -0.1431(10) 0.0741(6) 0.1994(4) 0.049(2) Uani 1 1 d . . . . .
H65 H -0.1226 0.0238 0.1843 0.059 Uiso 1 1 calc R U . . .
C66 C -0.2754(9) 0.0421(6) 0.2076(4) 0.049(2) Uani 1 1 d . . . . .
H66A H -0.3058 0.0898 0.2137 0.074 Uiso 1 1 calc R U . . .
H66B H -0.2793 0.0117 0.2414 0.074 Uiso 1 1 calc R U . . .
H66C H -0.3264 0.0041 0.1730 0.074 Uiso 1 1 calc R U . . .
C67 C -0.1380(11) 0.1321(7) 0.1497(4) 0.059(3) Uani 1 1 d . . . . .
H67A H -0.1909 0.0991 0.1137 0.088 Uiso 1 1 calc R U . . .
H67B H -0.0531 0.1541 0.1438 0.088 Uiso 1 1 calc R U . . .
H67C H -0.1668 0.1790 0.1607 0.088 Uiso 1 1 calc R U . . .
C68 C 0.1132(10) 0.1708(7) 0.2454(5) 0.057(3) Uani 1 1 d . . . . .
H68 H 0.0968 0.2126 0.2200 0.068 Uiso 1 1 calc R U . . .
C69 C 0.1544(12) 0.1095(9) 0.2071(6) 0.074(4) Uani 1 1 d . . . . .
H69A H 0.2317 0.1402 0.1959 0.110 Uiso 1 1 calc R U . . .
H69B H 0.0908 0.0849 0.1722 0.110 Uiso 1 1 calc R U . . .
H69C H 0.1668 0.0645 0.2290 0.110 Uiso 1 1 calc R U . . .
C70 C 0.2156(9) 0.2220(8) 0.2959(6) 0.067(3) Uani 1 1 d . . . . .
H70A H 0.2504 0.1839 0.3169 0.100 Uiso 1 1 calc R U . . .
H70B H 0.1816 0.2527 0.3221 0.100 Uiso 1 1 calc R U . . .
H70C H 0.2802 0.2620 0.2809 0.100 Uiso 1 1 calc R U . . .
C71 C 0.102(2) 0.1086(12) -0.0362(8) 0.127(8) Uani 1 1 d . . . . .
H71A H 0.1165 0.1604 -0.0094 0.153 Uiso 1 1 calc R U . . .
H71B H 0.1364 0.0701 -0.0144 0.153 Uiso 1 1 calc R U . . .
C72 C -0.4577(13) 0.1867(8) 0.1454(5) 0.068(3) Uani 1 1 d . . . . .
H72A H -0.4100 0.1924 0.1851 0.082 Uiso 1 1 calc R U . . .
H72B H -0.3990 0.1988 0.1187 0.082 Uiso 1 1 calc R U . . .
C73 C 0.325(2) 0.0462(15) 0.4913(7) 0.145(10) Uani 1 1 d . . . . .
H73A H 0.3843 0.0688 0.5284 0.174 Uiso 1 1 calc R U . . .
H73B H 0.2517 0.0634 0.4940 0.174 Uiso 1 1 calc R U . . .
C74 C 0.339(6) 0.434(3) 0.439(4) 0.79(7) Uani 1 1 d . . . . .
H74A H 0.3301 0.4274 0.4791 0.953 Uiso 1 1 calc R U . . .
H74B H 0.2574 0.4036 0.4142 0.953 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 0.0033 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'
Cl Cl 0.1484 0.1585 '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'
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
C11 Ru1 C10 90.4(4) . .
C11 Ru1 O2 170.4(3) . .
C10 Ru1 O2 99.1(3) . .
C11 Ru1 O3 112.4(3) . .
C10 Ru1 O3 157.1(3) . .
O2 Ru1 O3 58.12(19) . .
C11 Ru1 P1 89.3(3) . .
C10 Ru1 P1 91.1(2) . .
O2 Ru1 P1 88.86(16) . .
O3 Ru1 P1 89.79(15) . .
C11 Ru1 P2 91.4(3) . .
C10 Ru1 P2 89.4(2) . .
O2 Ru1 P2 90.29(16) . .
O3 Ru1 P2 89.43(15) . .
P1 Ru1 P2 179.07(8) . .
C11 Ru1 C30 141.4(3) . .
C10 Ru1 C30 128.1(3) . .
O2 Ru1 C30 29.1(2) . .
O3 Ru1 C30 29.1(2) . .
P1 Ru1 C30 88.12(18) . .
P2 Ru1 C30 90.96(18) . .
C52 Ru2 C1 88.1(3) . .
C52 Ru2 O5 174.4(3) . .
C1 Ru2 O5 97.4(3) . .
C52 Ru2 O6 116.2(3) . .
C1 Ru2 O6 155.7(3) . .
O5 Ru2 O6 58.35(19) . .
C52 Ru2 P4 88.7(3) . .
C1 Ru2 P4 93.8(3) . .
O5 Ru2 P4 89.93(17) . .
O6 Ru2 P4 88.93(16) . .
C52 Ru2 P3 89.9(3) . .
C1 Ru2 P3 90.6(3) . .
O5 Ru2 P3 90.98(18) . .
O6 Ru2 P3 87.69(16) . .
P4 Ru2 P3 175.38(8) . .
C33 N1 C37 122.3(7) . .
C33 N1 C44 118.5(7) . .
C37 N1 C44 118.5(6) . .
C30 O2 Ru1 92.6(5) . .
C30 O3 Ru1 88.4(4) . .
C51 O5 Ru2 93.8(5) . .
C51 O6 Ru2 88.6(5) . .
C40 O7 C43 118.5(8) . .
C47 O8 C50 116.7(9) . .
C18 P1 C12 102.4(4) . .
C18 P1 C15 109.7(4) . .
C12 P1 C15 103.0(5) . .
C18 P1 Ru1 113.7(3) . .
C12 P1 Ru1 114.0(3) . .
C15 P1 Ru1 113.1(3) . .
C21 P2 C27 102.5(5) . .
C21 P2 C24 109.6(4) . .
C27 P2 C24 102.9(4) . .
C21 P2 Ru1 110.2(3) . .
C27 P2 Ru1 115.9(4) . .
C24 P2 Ru1 114.8(3) . .
C53 P3 C59 100.4(5) . .
C53 P3 C56 103.6(5) . .
C59 P3 C56 109.3(5) . .
C53 P3 Ru2 112.9(3) . .
C59 P3 Ru2 115.1(4) . .
C56 P3 Ru2 114.1(4) . .
C65 P4 C68 104.0(5) . .
C65 P4 C62 101.3(4) . .
C68 P4 C62 109.6(5) . .
C65 P4 Ru2 112.5(4) . .
C68 P4 Ru2 115.0(4) . .
C62 P4 Ru2 113.3(3) . .
C2 C1 Ru2 134.4(6) . .
C1 C2 C3 125.8(8) . .
C4 C3 C8 116.5(8) . .
C4 C3 C2 119.2(8) . .
C8 C3 C2 124.3(8) . .
C5 C4 C3 121.4(9) . .
C4 C5 C6 122.3(8) . .
C5 C6 C7 117.2(8) . .
C5 C6 C9 119.3(8) . 2_666
C7 C6 C9 123.6(8) . 2_666
C6 C7 C8 121.4(9) . .
C7 C8 C3 121.0(9) . .
C10 C9 C6 127.8(8) . 2_666
C9 C10 Ru1 134.7(7) . .
O1 C11 Ru1 178.1(7) . .
C13 C12 C14 110.1(8) . .
C13 C12 P1 114.7(7) . .
C14 C12 P1 111.1(6) . .
C17 C15 C16 110.0(8) . .
C17 C15 P1 111.5(7) . .
C16 C15 P1 116.1(6) . .
C19 C18 C20 109.2(8) . .
C19 C18 P1 115.5(7) . .
C20 C18 P1 115.4(7) . .
C22 C21 C23 109.2(9) . .
C22 C21 P2 114.3(6) . .
C23 C21 P2 116.8(7) . .
C25 C24 C26 110.8(8) . .
C25 C24 P2 114.0(7) . .
C26 C24 P2 116.4(7) . .
C28 C27 C29 109.7(10) . .
C28 C27 P2 116.0(8) . .
C29 C27 P2 109.8(8) . .
O3 C30 O2 120.7(7) . .
O3 C30 C31 119.4(7) . .
O2 C30 C31 119.8(7) . .
O3 C30 Ru1 62.5(4) . .
O2 C30 Ru1 58.3(4) . .
C31 C30 Ru1 177.0(6) . .
C36 C31 C32 119.1(7) . .
C36 C31 C30 120.5(7) . .
C32 C31 C30 120.3(7) . .
C33 C32 C31 122.2(8) . .
C32 C33 N1 123.0(7) . .
C32 C33 C34 118.4(7) . .
N1 C33 C34 118.6(7) . .
C35 C34 C33 119.8(7) . .
C36 C35 C34 120.7(7) . .
C36 C35 C51 120.4(7) . .
C34 C35 C51 118.9(7) . .
C31 C36 C35 119.8(7) . .
C38 C37 C42 119.1(8) . .
C38 C37 N1 120.1(7) . .
C42 C37 N1 120.9(8) . .
C37 C38 C39 120.4(8) . .
C40 C39 C38 120.3(9) . .
C41 C40 O7 124.4(8) . .
C41 C40 C39 119.1(9) . .
O7 C40 C39 116.5(8) . .
C40 C41 C42 121.5(8) . .
C41 C42 C37 119.5(8) . .
C49 C44 C45 118.4(8) . .
C49 C44 N1 120.9(8) . .
C45 C44 N1 120.5(8) . .
C44 C45 C46 122.4(9) . .
C47 C46 C45 117.6(9) . .
O8 C47 C46 124.0(9) . .
O8 C47 C48 115.0(9) . .
C46 C47 C48 121.0(9) . .
C49 C48 C47 118.4(10) . .
C44 C49 C48 122.1(9) . .
O6 C51 O5 119.2(7) . .
O6 C51 C35 121.9(7) . .
O5 C51 C35 118.9(7) . .
O4 C52 Ru2 178.1(7) . .
C54 C53 C55 107.2(9) . .
C54 C53 P3 116.1(8) . .
C55 C53 P3 110.4(7) . .
C57 C56 C58 109.8(9) . .
C57 C56 P3 116.5(8) . .
C58 C56 P3 112.3(9) . .
C60 C59 C61 112.5(9) . .
C60 C59 P3 116.4(9) . .
C61 C59 P3 113.3(8) . .
C64 C62 C63 110.1(8) . .
C64 C62 P4 117.6(7) . .
C63 C62 P4 112.4(7) . .
C66 C65 C67 107.9(9) . .
C66 C65 P4 112.2(7) . .
C67 C65 P4 116.6(7) . .
C70 C68 C69 112.6(10) . .
C70 C68 P4 113.4(8) . .
C69 C68 P4 113.1(8) . .
Cl2 C71 Cl1 110.6(10) . .
Cl4 C72 Cl3 110.6(8) . .
Cl5 C73 Cl6 117.4(10) . .
Cl7 C74 Cl8 128(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C11 1.774(10) .
Ru1 C10 2.009(8) .
Ru1 O2 2.207(6) .
Ru1 O3 2.300(5) .
Ru1 P1 2.405(2) .
Ru1 P2 2.408(2) .
Ru1 C30 2.592(8) .
Ru2 C52 1.795(9) .
Ru2 C1 2.024(8) .
Ru2 O5 2.186(6) .
Ru2 O6 2.305(6) .
Ru2 P4 2.400(3) .
Ru2 P3 2.411(3) .
N1 C33 1.400(10) .
N1 C37 1.421(11) .
N1 C44 1.446(11) .
O1 C11 1.198(11) .
O2 C30 1.261(9) .
O3 C30 1.260(9) .
O4 C52 1.172(10) .
O5 C51 1.275(10) .
O6 C51 1.266(10) .
O7 C40 1.379(11) .
O7 C43 1.393(13) .
O8 C47 1.376(12) .
O8 C50 1.428(14) .
P1 C18 1.850(9) .
P1 C12 1.871(9) .
P1 C15 1.877(9) .
P2 C21 1.851(10) .
P2 C27 1.867(11) .
P2 C24 1.878(9) .
P3 C53 1.853(10) .
P3 C59 1.856(10) .
P3 C56 1.864(11) .
P4 C65 1.828(10) .
P4 C68 1.862(11) .
P4 C62 1.866(10) .
Cl1 C71 1.86(2) .
Cl2 C71 1.68(2) .
Cl3 C72 1.761(14) .
Cl4 C72 1.735(12) .
Cl5 C73 1.66(2) .
Cl6 C73 1.72(2) .
Cl7 C74 1.62(3) .
Cl8 C74 1.61(4) .
C1 C2 1.331(12) .
C2 C3 1.492(11) .
C3 C4 1.396(13) .
C3 C8 1.400(13) .
C4 C5 1.377(12) .
C5 C6 1.381(12) .
C6 C7 1.378(13) .
C6 C9 1.483(11) 2_666
C7 C8 1.401(13) .
C9 C10 1.343(11) .
C9 C6 1.483(11) 2_666
C12 C13 1.521(12) .
C12 C14 1.548(14) .
C15 C17 1.520(13) .
C15 C16 1.546(14) .
C18 C19 1.545(14) .
C18 C20 1.545(14) .
C21 C22 1.534(15) .
C21 C23 1.541(14) .
C24 C25 1.474(14) .
C24 C26 1.542(14) .
C27 C28 1.494(15) .
C27 C29 1.540(17) .
C30 C31 1.483(11) .
C31 C36 1.390(12) .
C31 C32 1.396(11) .
C32 C33 1.381(11) .
C33 C34 1.411(12) .
C34 C35 1.398(11) .
C35 C36 1.391(11) .
C35 C51 1.493(11) .
C37 C38 1.384(12) .
C37 C42 1.409(11) .
C38 C39 1.403(13) .
C39 C40 1.390(12) .
C40 C41 1.376(13) .
C41 C42 1.390(12) .
C44 C49 1.365(13) .
C44 C45 1.371(12) .
C45 C46 1.397(13) .
C46 C47 1.388(15) .
C47 C48 1.396(14) .
C48 C49 1.384(13) .
C53 C54 1.499(15) .
C53 C55 1.536(14) .
C56 C57 1.506(17) .
C56 C58 1.536(15) .
C59 C60 1.519(16) .
C59 C61 1.550(15) .
C62 C64 1.524(14) .
C62 C63 1.563(12) .
C65 C66 1.517(15) .
C65 C67 1.579(14) .
C68 C70 1.530(17) .
C68 C69 1.550(17) .
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
Ru2 C1 C2 C3 -173.1(7) . . . .
C1 C2 C3 C4 169.7(10) . . . .
C1 C2 C3 C8 -10.5(16) . . . .
C8 C3 C4 C5 3.6(15) . . . .
C2 C3 C4 C5 -176.5(9) . . . .
C3 C4 C5 C6 0.1(16) . . . .
C4 C5 C6 C7 -3.7(16) . . . .
C4 C5 C6 C9 176.1(9) . . . 2_666
C5 C6 C7 C8 3.6(17) . . . .
C9 C6 C7 C8 -176.2(10) 2_666 . . .
C6 C7 C8 C3 0.2(19) . . . .
C4 C3 C8 C7 -3.8(16) . . . .
C2 C3 C8 C7 176.4(10) . . . .
C6 C9 C10 Ru1 -171.6(7) 2_666 . . .
C18 P1 C12 C13 -49.9(8) . . . .
C15 P1 C12 C13 -163.9(7) . . . .
Ru1 P1 C12 C13 73.3(8) . . . .
C18 P1 C12 C14 -175.6(7) . . . .
C15 P1 C12 C14 70.4(8) . . . .
Ru1 P1 C12 C14 -52.4(8) . . . .
C18 P1 C15 C17 43.9(8) . . . .
C12 P1 C15 C17 152.3(7) . . . .
Ru1 P1 C15 C17 -84.2(7) . . . .
C18 P1 C15 C16 -83.1(8) . . . .
C12 P1 C15 C16 25.4(9) . . . .
Ru1 P1 C15 C16 148.9(7) . . . .
C12 P1 C18 C19 -53.8(8) . . . .
C15 P1 C18 C19 55.0(8) . . . .
Ru1 P1 C18 C19 -177.2(6) . . . .
C12 P1 C18 C20 177.1(7) . . . .
C15 P1 C18 C20 -74.1(8) . . . .
Ru1 P1 C18 C20 53.7(7) . . . .
C27 P2 C21 C22 175.5(7) . . . .
C24 P2 C21 C22 -75.7(8) . . . .
Ru1 P2 C21 C22 51.6(7) . . . .
C27 P2 C21 C23 -55.3(9) . . . .
C24 P2 C21 C23 53.6(9) . . . .
Ru1 P2 C21 C23 -179.1(7) . . . .
C21 P2 C24 C25 49.0(8) . . . .
C27 P2 C24 C25 157.5(8) . . . .
Ru1 P2 C24 C25 -75.6(8) . . . .
C21 P2 C24 C26 -81.8(9) . . . .
C27 P2 C24 C26 26.7(9) . . . .
Ru1 P2 C24 C26 153.6(7) . . . .
C21 P2 C27 C28 -49.0(10) . . . .
C24 P2 C27 C28 -162.8(9) . . . .
Ru1 P2 C27 C28 71.0(10) . . . .
C21 P2 C27 C29 -174.0(8) . . . .
C24 P2 C27 C29 72.2(8) . . . .
Ru1 P2 C27 C29 -54.0(8) . . . .
Ru1 O3 C30 O2 -4.0(8) . . . .
Ru1 O3 C30 C31 177.4(7) . . . .
Ru1 O2 C30 O3 4.1(8) . . . .
Ru1 O2 C30 C31 -177.3(7) . . . .
O3 C30 C31 C36 163.8(8) . . . .
O2 C30 C31 C36 -14.8(12) . . . .
O3 C30 C31 C32 -14.5(12) . . . .
O2 C30 C31 C32 166.9(8) . . . .
C36 C31 C32 C33 0.7(13) . . . .
C30 C31 C32 C33 179.1(8) . . . .
C31 C32 C33 N1 -178.9(8) . . . .
C31 C32 C33 C34 -1.1(13) . . . .
C37 N1 C33 C32 -27.9(13) . . . .
C44 N1 C33 C32 142.9(9) . . . .
C37 N1 C33 C34 154.3(8) . . . .
C44 N1 C33 C34 -34.8(11) . . . .
C32 C33 C34 C35 -0.7(13) . . . .
N1 C33 C34 C35 177.2(8) . . . .
C33 C34 C35 C36 2.9(13) . . . .
C33 C34 C35 C51 -175.6(8) . . . .
C32 C31 C36 C35 1.5(12) . . . .
C30 C31 C36 C35 -176.9(7) . . . .
C34 C35 C36 C31 -3.3(12) . . . .
C51 C35 C36 C31 175.2(8) . . . .
C33 N1 C37 C38 -33.7(12) . . . .
C44 N1 C37 C38 155.5(8) . . . .
C33 N1 C37 C42 147.6(8) . . . .
C44 N1 C37 C42 -23.3(12) . . . .
C42 C37 C38 C39 -1.9(13) . . . .
N1 C37 C38 C39 179.3(8) . . . .
C37 C38 C39 C40 0.3(13) . . . .
C43 O7 C40 C41 -1.3(14) . . . .
C43 O7 C40 C39 178.7(9) . . . .
C38 C39 C40 C41 2.1(13) . . . .
C38 C39 C40 O7 -177.9(8) . . . .
O7 C40 C41 C42 177.1(8) . . . .
C39 C40 C41 C42 -2.9(13) . . . .
C40 C41 C42 C37 1.3(13) . . . .
C38 C37 C42 C41 1.1(12) . . . .
N1 C37 C42 C41 179.9(8) . . . .
C33 N1 C44 C49 -51.9(12) . . . .
C37 N1 C44 C49 119.3(9) . . . .
C33 N1 C44 C45 123.2(9) . . . .
C37 N1 C44 C45 -65.6(11) . . . .
C49 C44 C45 C46 -2.7(14) . . . .
N1 C44 C45 C46 -177.8(8) . . . .
C44 C45 C46 C47 2.7(14) . . . .
C50 O8 C47 C46 5.6(14) . . . .
C50 O8 C47 C48 -174.8(9) . . . .
C45 C46 C47 O8 177.4(9) . . . .
C45 C46 C47 C48 -2.2(14) . . . .
O8 C47 C48 C49 -177.8(9) . . . .
C46 C47 C48 C49 1.9(14) . . . .
C45 C44 C49 C48 2.3(14) . . . .
N1 C44 C49 C48 177.4(9) . . . .
C47 C48 C49 C44 -1.9(15) . . . .
Ru2 O6 C51 O5 0.6(8) . . . .
Ru2 O6 C51 C35 -179.6(7) . . . .
Ru2 O5 C51 O6 -0.6(8) . . . .
Ru2 O5 C51 C35 179.6(7) . . . .
C36 C35 C51 O6 172.9(8) . . . .
C34 C35 C51 O6 -8.6(12) . . . .
C36 C35 C51 O5 -7.2(12) . . . .
C34 C35 C51 O5 171.3(8) . . . .
C59 P3 C53 C54 50.3(9) . . . .
C56 P3 C53 C54 163.3(8) . . . .
Ru2 P3 C53 C54 -72.7(8) . . . .
C59 P3 C53 C55 172.5(8) . . . .
C56 P3 C53 C55 -74.5(8) . . . .
Ru2 P3 C53 C55 49.5(8) . . . .
C53 P3 C56 C57 -24.4(12) . . . .
C59 P3 C56 C57 81.9(12) . . . .
Ru2 P3 C56 C57 -147.6(10) . . . .
C53 P3 C56 C58 -152.3(8) . . . .
C59 P3 C56 C58 -46.0(9) . . . .
Ru2 P3 C56 C58 84.5(8) . . . .
C53 P3 C59 C60 52.6(9) . . . .
C56 P3 C59 C60 -56.0(10) . . . .
Ru2 P3 C59 C60 174.1(7) . . . .
C53 P3 C59 C61 -174.7(8) . . . .
C56 P3 C59 C61 76.8(10) . . . .
Ru2 P3 C59 C61 -53.2(9) . . . .
C65 P4 C62 C64 24.1(8) . . . .
C68 P4 C62 C64 -85.3(8) . . . .
Ru2 P4 C62 C64 144.8(6) . . . .
C65 P4 C62 C63 153.5(7) . . . .
C68 P4 C62 C63 44.1(8) . . . .
Ru2 P4 C62 C63 -85.8(7) . . . .
C68 P4 C65 C66 -169.9(7) . . . .
C62 P4 C65 C66 76.4(8) . . . .
Ru2 P4 C65 C66 -44.9(8) . . . .
C68 P4 C65 C67 -44.8(9) . . . .
C62 P4 C65 C67 -158.5(8) . . . .
Ru2 P4 C65 C67 80.3(8) . . . .
C65 P4 C68 C70 173.6(8) . . . .
C62 P4 C68 C70 -78.9(9) . . . .
Ru2 P4 C68 C70 50.1(9) . . . .
C65 P4 C68 C69 -56.6(9) . . . .
C62 P4 C68 C69 51.0(9) . . . .
Ru2 P4 C68 C69 179.9(7) . . . .
