#------------------------------------------------------------------------------
#$Date: 2017-12-10 03:43:04 +0200 (Sun, 10 Dec 2017) $
#$Revision: 204124 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/11/90/7119055.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_7119055
loop_
_publ_author_name
'Demyan E. Prokopchuk'
'Alan J. Lough'
'Rafael E. Rodriguez-Lugo'
'Robert H. Morris'
'Hansjorg Grutzmacher'
_publ_section_title
;
 Insights into metal-ligand hydrogen transfer: a square-planar ruthenate
 complex supported by a tetradentate amino-amido-diolefin ligand
;
_journal_name_full               Chem.Commun.
_journal_page_first              6138
_journal_volume                  52
_journal_year                    2016
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C72 H64 Cl4 N2 P2 Ru2'
_chemical_formula_sum            'C72 H64 Cl4 N2 P2 Ru2'
_chemical_formula_weight         1363.13
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_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_date             2015-06-04
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3151 for OlexSys, GUI svn.r4998)
;
_audit_update_record
;
2016-01-01 deposited with the CCDC.
2016-04-01 downloaded from the CCDC.
;
_cell_angle_alpha                99.178(2)
_cell_angle_beta                 107.6360(10)
_cell_angle_gamma                97.263(2)
_cell_formula_units_Z            1
_cell_length_a                   10.3736(3)
_cell_length_b                   13.2432(4)
_cell_length_c                   13.7718(4)
_cell_measurement_temperature    100
_cell_volume                     1748.99(9)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100.0
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker Apex II CCD'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0396
_diffrn_reflns_av_unetI/netI     0.0775
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            34259
_diffrn_reflns_point_group_measured_fraction_full 0.915
_diffrn_reflns_point_group_measured_fraction_max 0.853
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         31.926
_diffrn_reflns_theta_min         1.585
_exptl_absorpt_coefficient_mu    0.670
_exptl_absorpt_correction_T_max  0.8623
_exptl_absorpt_correction_T_min  0.7891
_exptl_absorpt_correction_type   ulti-scan
_exptl_absorpt_process_details
'SADABS-2012/1 (Bruker,2012) was used for absorption correction.'
_exptl_crystal_colour            'clear pink'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    pink
_exptl_crystal_density_diffrn    1.294
_exptl_crystal_description       needle
_exptl_crystal_F_000             696
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.078
_refine_diff_density_min         -0.715
_refine_diff_density_rms         0.107
_refine_ls_abs_structure_details
;
 Flack x determined using 6743 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.001(14)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     712
_refine_ls_number_reflns         20628
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0570
_refine_ls_R_factor_gt           0.0456
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0519P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1028
_refine_ls_wR_factor_ref         0.1089
_reflns_Friedel_coverage         0.725
_reflns_Friedel_fraction_full    0.831
_reflns_Friedel_fraction_max     0.717
_reflns_number_gt                17802
_reflns_number_total             20628
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6cc00041j2.cif
_cod_data_source_block           Complex1
_cod_original_cell_volume        1748.98(9)
_cod_database_code               7119055
#BEGIN Tags that were not found in dictionaries:
_shelxl_version_number           2014/6
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
2. Others
 Sof(C55B)=Sof(C56B)=Sof(H56B)=Sof(C58B)=Sof(H58B)=Sof(C59B)=Sof(H59B)=
 Sof(C60B)=Sof(H60B)=1-FVAR(1)
 Sof(C55A)=Sof(C56A)=Sof(H56A)=Sof(C58A)=Sof(H58A)=Sof(C59A)=Sof(H59A)=
 Sof(C60A)=Sof(H60A)=FVAR(1)
 Sof(C64B)=Sof(H64B)=Sof(C63B)=Sof(H63B)=Sof(C62B)=Sof(H62B)=Sof(C61B)=
 Sof(C66B)=Sof(H66B)=1-FVAR(2)
 Sof(C61A)=Sof(C62A)=Sof(H62A)=Sof(C63A)=Sof(H63A)=Sof(C64A)=Sof(H64A)=
 Sof(C66A)=Sof(H66A)=FVAR(2)
 Sof(C65B)=Sof(H65B)=1-FVAR(3)
 Sof(C65A)=Sof(H65A)=FVAR(3)
 Sof(C71B)=Sof(H71B)=Sof(C72B)=Sof(H72B)=Sof(C67B)=Sof(C68B)=Sof(H68B)=
 Sof(C69B)=Sof(H69B)=Sof(C70B)=Sof(H70B)=1-FVAR(4)
 Sof(C67A)=Sof(C68A)=Sof(H68A)=Sof(C69A)=Sof(H69A)=Sof(C70A)=Sof(H70A)=
 Sof(C71A)=Sof(H71A)=Sof(C72A)=Sof(H72A)=FVAR(4)
 Sof(P2B)=1-FVAR(5)
 Sof(P2A)=FVAR(5)
 Sof(C57B)=Sof(H57B)=1-FVAR(6)
 Sof(C57A)=Sof(H57A)=FVAR(6)
3.a Ternary CH refined with riding coordinates:
 N1(H1), N2(H2), C1(H1A), C4(H4), C5(H5), C16(H16), C19(H19), C20(H20),
 C31(H31), C36(H36)
3.b Secondary CH2 refined with riding coordinates:
 C32(H32A,H32B), C33(H33A,H33B), C34(H34A,H34B), C35(H35A,H35B)
3.c Aromatic/amide H refined with riding coordinates:
 C8(H8), C9(H9), C10(H10), C11(H11), C12(H12), C13(H13), C14(H14), C15(H15),
 C23(H23), C24(H24), C25(H25), C26(H26), C27(H27), C28(H28), C29(H29), C30(H30),
  C38(H38), C39(H39), C40(H40), C41(H41), C42(H42), C44(H44), C45(H45),
 C46(H46), C47(H47), C48(H48), C50(H50), C51(H51), C52(H52), C53(H53), C54(H54),
  C56A(H56A), C57A(H57A), C58A(H58A), C59A(H59A), C60A(H60A), C62A(H62A),
 C63A(H63A), C64A(H64A), C65A(H65A), C66A(H66A), C68A(H68A), C69A(H69A),
 C70A(H70A), C71A(H71A), C72A(H72A), C56B(H56B), C57B(H57B), C58B(H58B),
 C59B(H59B), C60B(H60B), C65B(H65B), C64B(H64B), C63B(H63B), C62B(H62B),
 C66B(H66B), C71B(H71B), C72B(H72B), C68B(H68B), C69B(H69B), C70B(H70B)
3.d Fitted hexagon refined as free rotating group:
 C65B(C64B,C63B,C62B,C61B,C66B), C71B(C72B,C67B,C68B,C69B,C70B)
;
_olex2_submission_special_instructions 'No special instructions were received'
#END Tags that were not found in dictionaries
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 '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 0.22869(4) 0.47546(3) 0.54625(3) 0.01366(9) Uani 1 1 d . . . . .
Ru2 Ru -0.06268(4) 0.34161(3) 0.28956(2) 0.01087(9) Uani 1 1 d . . . . .
Cl1 Cl 0.40158(13) 0.46989(10) 0.46145(10) 0.0179(2) Uani 1 1 d . . . . .
Cl2 Cl 0.02492(13) 0.48064(10) 0.59836(10) 0.0178(2) Uani 1 1 d . . . . .
Cl3 Cl 0.07057(14) 0.51503(9) 0.38504(10) 0.0132(2) Uani 1 1 d . . . . .
Cl4 Cl 0.11508(14) 0.30271(10) 0.43259(10) 0.0146(3) Uani 1 1 d . . . . .
P1 P 0.35153(16) 0.40281(13) 0.67568(12) 0.0175(3) Uani 1 1 d . . . . .
N1 N -0.1959(5) 0.4090(4) 0.1781(4) 0.0160(10) Uani 1 1 d . . . . .
H1 H -0.2855 0.3588 0.1478 0.019 Uiso 1 1 calc R . . . .
N2 N -0.1977(4) 0.3864(3) 0.3719(3) 0.0134(8) Uani 1 1 d . . . . .
H2 H -0.1369 0.4220 0.4439 0.016 Uiso 1 1 calc R . . . .
C1 C -0.3035(5) 0.3040(4) 0.3854(4) 0.0161(9) Uani 1 1 d . . . . .
H1A H -0.3512 0.3391 0.4306 0.019 Uiso 1 1 calc R . . . .
C2 C -0.2328(5) 0.2245(4) 0.4393(4) 0.0171(10) Uani 1 1 d . . . . .
C3 C -0.1517(6) 0.1666(4) 0.3964(4) 0.0181(10) Uani 1 1 d . . . . .
C4 C -0.1323(5) 0.1779(3) 0.2959(4) 0.0156(9) Uani 1 1 d . . . . .
H4 H -0.0717 0.1309 0.2766 0.019 Uiso 1 1 calc R . . . .
C5 C -0.2282(5) 0.1981(4) 0.2074(4) 0.0145(9) Uani 1 1 d . . . . .
H5 H -0.2188 0.1628 0.1408 0.017 Uiso 1 1 calc R . . . .
C6 C -0.3698(5) 0.2102(4) 0.1968(4) 0.0161(9) Uani 1 1 d . . . . .
C7 C -0.4093(5) 0.2547(4) 0.2807(4) 0.0178(10) Uani 1 1 d . . . . .
C8 C -0.2445(6) 0.2116(4) 0.5352(4) 0.0202(10) Uani 1 1 d . . . . .
H8 H -0.2982 0.2513 0.5652 0.024 Uiso 1 1 calc R . . . .
C9 C -0.1786(6) 0.1417(4) 0.5867(5) 0.0267(12) Uani 1 1 d . . . . .
H9 H -0.1879 0.1328 0.6515 0.032 Uiso 1 1 calc R . . . .
C10 C -0.0984(7) 0.0842(5) 0.5434(5) 0.0277(12) Uani 1 1 d . . . . .
H10 H -0.0536 0.0355 0.5783 0.033 Uiso 1 1 calc R . . . .
C11 C -0.0844(6) 0.0981(4) 0.4504(4) 0.0202(10) Uani 1 1 d . . . . .
H11 H -0.0275 0.0601 0.4224 0.024 Uiso 1 1 calc R . . . .
C12 C -0.5483(6) 0.2598(5) 0.2636(5) 0.0277(13) Uani 1 1 d . . . . .
H12 H -0.5770 0.2875 0.3200 0.033 Uiso 1 1 calc R . . . .
C13 C -0.6457(6) 0.2239(6) 0.1630(6) 0.0435(19) Uani 1 1 d . . . . .
H13 H -0.7399 0.2271 0.1520 0.052 Uiso 1 1 calc R . . . .
C14 C -0.6048(6) 0.1843(6) 0.0807(5) 0.0409(17) Uani 1 1 d . . . . .
H14 H -0.6702 0.1622 0.0126 0.049 Uiso 1 1 calc R . . . .
C15 C -0.4682(6) 0.1767(4) 0.0974(5) 0.0264(12) Uani 1 1 d . . . . .
H15 H -0.4409 0.1483 0.0406 0.032 Uiso 1 1 calc R . . . .
C16 C -0.1503(5) 0.4293(4) 0.0874(4) 0.0152(9) Uani 1 1 d . . . . .
H16 H -0.2171 0.4671 0.0456 0.018 Uiso 1 1 calc R . . . .
C17 C -0.1591(5) 0.3253(4) 0.0192(4) 0.0169(10) Uani 1 1 d . . . . .
C18 C -0.0798(5) 0.2533(4) 0.0568(4) 0.0166(9) Uani 1 1 d . . . . .
C19 C 0.0171(5) 0.2719(4) 0.1650(4) 0.0157(9) Uani 1 1 d . . . . .
H19 H 0.0597 0.2102 0.1807 0.019 Uiso 1 1 calc R . . . .
C20 C 0.1038(5) 0.3656(4) 0.2184(4) 0.0158(10) Uani 1 1 d . . . . .
H20 H 0.1957 0.3571 0.2639 0.019 Uiso 1 1 calc R . . . .
C21 C 0.1079(5) 0.4641(4) 0.1797(4) 0.0156(9) Uani 1 1 d . . . . .
C22 C -0.0098(6) 0.4960(4) 0.1222(4) 0.0175(10) Uani 1 1 d . . . . .
C23 C -0.2508(6) 0.3007(5) -0.0827(4) 0.0233(11) Uani 1 1 d . . . . .
H23 H -0.3041 0.3501 -0.1080 0.028 Uiso 1 1 calc R . . . .
C24 C -0.2655(6) 0.2049(5) -0.1483(4) 0.0280(13) Uani 1 1 d . . . . .
H24 H -0.3297 0.1884 -0.2170 0.034 Uiso 1 1 calc R . . . .
C25 C -0.1852(7) 0.1344(4) -0.1116(5) 0.0273(13) Uani 1 1 d . . . . .
H25 H -0.1920 0.0696 -0.1558 0.033 Uiso 1 1 calc R . . . .
C26 C -0.0941(6) 0.1584(4) -0.0095(5) 0.0215(11) Uani 1 1 d . . . . .
H26 H -0.0406 0.1090 0.0153 0.026 Uiso 1 1 calc R . . . .
C27 C 0.0025(6) 0.5946(4) 0.0985(4) 0.0198(10) Uani 1 1 d . . . . .
H27 H -0.0776 0.6180 0.0618 0.024 Uiso 1 1 calc R . . . .
C28 C 0.1308(6) 0.6590(4) 0.1281(4) 0.0234(11) Uani 1 1 d . . . . .
H28 H 0.1380 0.7255 0.1104 0.028 Uiso 1 1 calc R . . . .
C29 C 0.2491(6) 0.6260(4) 0.1840(4) 0.0235(11) Uani 1 1 d . . . . .
H29 H 0.3372 0.6690 0.2037 0.028 Uiso 1 1 calc R . . . .
C30 C 0.2350(5) 0.5302(4) 0.2096(4) 0.0205(10) Uani 1 1 d . . . . .
H30 H 0.3147 0.5083 0.2490 0.025 Uiso 1 1 calc R . . . .
C31 C -0.2223(5) 0.5029(4) 0.2402(4) 0.0160(9) Uani 1 1 d . . . . .
H31 H -0.1333 0.5533 0.2740 0.019 Uiso 1 1 calc R . . . .
C32 C -0.3302(6) 0.5603(4) 0.1800(4) 0.0220(11) Uani 1 1 d . . . . .
H32A H -0.4221 0.5146 0.1526 0.026 Uiso 1 1 calc R . . . .
H32B H -0.3057 0.5799 0.1205 0.026 Uiso 1 1 calc R . . . .
C33 C -0.3325(6) 0.6586(4) 0.2561(5) 0.0251(12) Uani 1 1 d . . . . .
H33A H -0.2427 0.7064 0.2777 0.030 Uiso 1 1 calc R . . . .
H33B H -0.4045 0.6949 0.2199 0.030 Uiso 1 1 calc R . . . .
C34 C -0.3607(6) 0.6328(4) 0.3530(5) 0.0253(12) Uani 1 1 d . . . . .
H34A H -0.4577 0.5972 0.3328 0.030 Uiso 1 1 calc R . . . .
H34B H -0.3485 0.6985 0.4033 0.030 Uiso 1 1 calc R . . . .
C35 C -0.2652(6) 0.5627(4) 0.4069(4) 0.0194(10) Uani 1 1 d . . . . .
H35A H -0.1694 0.6018 0.4383 0.023 Uiso 1 1 calc R . . . .
H35B H -0.2955 0.5404 0.4631 0.023 Uiso 1 1 calc R . . . .
C36 C -0.2718(5) 0.4683(4) 0.3260(4) 0.0153(9) Uani 1 1 d . . . . .
H36 H -0.3711 0.4352 0.2925 0.018 Uiso 1 1 calc R . . . .
C37 C 0.3611(5) 0.2657(4) 0.6302(4) 0.0214(11) Uani 1 1 d . . . . .
C38 C 0.3866(5) 0.2362(4) 0.5362(4) 0.0223(11) Uani 1 1 d . . . . .
H38 H 0.3986 0.2867 0.4963 0.027 Uiso 1 1 calc R . . . .
C39 C 0.3946(6) 0.1334(5) 0.5010(5) 0.0296(13) Uani 1 1 d . . . . .
H39 H 0.4127 0.1149 0.4375 0.036 Uiso 1 1 calc R . . . .
C40 C 0.3767(8) 0.0584(5) 0.5562(6) 0.0446(19) Uani 1 1 d . . . . .
H40 H 0.3801 -0.0119 0.5306 0.054 Uiso 1 1 calc R . . . .
C41 C 0.3536(9) 0.0868(6) 0.6502(7) 0.054(2) Uani 1 1 d . . . . .
H41 H 0.3413 0.0354 0.6891 0.065 Uiso 1 1 calc R . . . .
C42 C 0.3482(8) 0.1907(5) 0.6885(6) 0.0370(15) Uani 1 1 d . . . . .
H42 H 0.3358 0.2096 0.7541 0.044 Uiso 1 1 calc R . . . .
C43 C 0.2845(5) 0.3857(4) 0.7830(4) 0.0197(10) Uani 1 1 d . . . . .
C44 C 0.1461(6) 0.3406(4) 0.7538(5) 0.0242(12) Uani 1 1 d . . . . .
H44 H 0.0918 0.3216 0.6821 0.029 Uiso 1 1 calc R . . . .
C45 C 0.0869(6) 0.3232(5) 0.8292(5) 0.0308(14) Uani 1 1 d . . . . .
H45 H -0.0079 0.2930 0.8089 0.037 Uiso 1 1 calc R . . . .
C46 C 0.1663(7) 0.3498(5) 0.9344(5) 0.0379(16) Uani 1 1 d . . . . .
H46 H 0.1261 0.3371 0.9858 0.045 Uiso 1 1 calc R . . . .
C47 C 0.3019(8) 0.3943(6) 0.9632(5) 0.0421(18) Uani 1 1 d . . . . .
H47 H 0.3552 0.4150 1.0350 0.051 Uiso 1 1 calc R . . . .
C48 C 0.3628(7) 0.4094(5) 0.8883(5) 0.0327(15) Uani 1 1 d . . . . .
H48 H 0.4586 0.4361 0.9092 0.039 Uiso 1 1 calc R . . . .
C49 C 0.5355(5) 0.4611(5) 0.7398(4) 0.0223(11) Uani 1 1 d . . . . .
C50 C 0.5767(6) 0.5508(5) 0.8208(5) 0.0313(14) Uani 1 1 d . . . . .
H50 H 0.5104 0.5790 0.8462 0.038 Uiso 1 1 calc R . . . .
C51 C 0.7155(6) 0.5976(6) 0.8632(5) 0.0351(16) Uani 1 1 d . . . . .
H51 H 0.7443 0.6563 0.9194 0.042 Uiso 1 1 calc R . . . .
C52 C 0.8113(6) 0.5590(6) 0.8239(5) 0.0357(16) Uani 1 1 d . . . . .
H52 H 0.9055 0.5916 0.8532 0.043 Uiso 1 1 calc R . . . .
C53 C 0.7717(6) 0.4740(6) 0.7428(5) 0.0314(14) Uani 1 1 d . . . . .
H53 H 0.8378 0.4484 0.7154 0.038 Uiso 1 1 calc R . . . .
C54 C 0.6332(6) 0.4254(5) 0.7009(4) 0.0277(13) Uani 1 1 d . . . . .
H54 H 0.6058 0.3668 0.6447 0.033 Uiso 1 1 calc R . . . .
P2A P 0.326(2) 0.6422(10) 0.6260(11) 0.009(2) Uani 0.36(8) 1 d . . P A 1
C55A C 0.3304(8) 0.6874(5) 0.7653(6) 0.0177(15) Uiso 0.709(8) 1 d . . P A 1
C56A C 0.4206(9) 0.7781(7) 0.8287(7) 0.0303(19) Uiso 0.709(8) 1 d . . P A 1
H56A H 0.4736 0.8208 0.8000 0.036 Uiso 0.709(8) 1 calc R . P A 1
C57A C 0.4329(10) 0.8057(7) 0.9322(8) 0.033(2) Uiso 0.710(15) 1 d . . P A 1
H57A H 0.4948 0.8673 0.9742 0.040 Uiso 0.710(15) 1 calc R . P A 1
C58A C 0.3561(10) 0.7449(7) 0.9764(8) 0.035(2) Uiso 0.709(8) 1 d . . P A 1
H58A H 0.3666 0.7643 1.0482 0.042 Uiso 0.709(8) 1 calc R . P A 1
C59A C 0.2661(9) 0.6575(6) 0.9162(7) 0.0251(17) Uiso 0.709(8) 1 d . . P A 1
H59A H 0.2132 0.6160 0.9459 0.030 Uiso 0.709(8) 1 calc R . P A 1
C60A C 0.2510(9) 0.6281(7) 0.8086(7) 0.0168(17) Uiso 0.709(8) 1 d . . P A 1
H60A H 0.1866 0.5679 0.7664 0.020 Uiso 0.709(8) 1 calc R . P A 1
C61A C 0.1984(8) 0.7215(6) 0.5603(7) 0.0198(16) Uiso 0.704(12) 1 d . . P A 1
C62A C 0.0961(9) 0.7530(6) 0.5960(7) 0.0245(18) Uiso 0.704(12) 1 d . . P A 1
H62A H 0.0888 0.7384 0.6596 0.029 Uiso 0.704(12) 1 calc R . P A 1
C63A C 0.0033(11) 0.8064(8) 0.5380(8) 0.039(2) Uiso 0.704(12) 1 d . . P A 1
H63A H -0.0671 0.8287 0.5622 0.047 Uiso 0.704(12) 1 calc R . P A 1
C64A C 0.0149(12) 0.8276(9) 0.4407(9) 0.039(3) Uiso 0.704(12) 1 d . . P A 1
H64A H -0.0474 0.8639 0.4006 0.047 Uiso 0.704(12) 1 calc R . P A 1
C65A C 0.1153(10) 0.7950(7) 0.4082(8) 0.035(3) Uiso 0.72(2) 1 d . . P A 1
H65A H 0.1245 0.8093 0.3450 0.042 Uiso 0.72(2) 1 calc R . P A 1
C66A C 0.2046(10) 0.7414(7) 0.4651(7) 0.0276(19) Uiso 0.704(12) 1 d . . P A 1
H66A H 0.2725 0.7172 0.4390 0.033 Uiso 0.704(12) 1 calc R . P A 1
C67A C 0.4856(10) 0.7120(8) 0.6262(8) 0.0153(19) Uiso 0.579(19) 1 d . . P A 1
C68A C 0.4979(11) 0.8176(8) 0.6271(9) 0.024(2) Uiso 0.579(19) 1 d . . P A 1
H68A H 0.4204 0.8502 0.6224 0.029 Uiso 0.579(19) 1 calc R . P A 1
C69A C 0.6243(12) 0.8768(9) 0.6350(9) 0.030(3) Uiso 0.579(19) 1 d . . P A 1
H69A H 0.6335 0.9489 0.6342 0.036 Uiso 0.579(19) 1 calc R . P A 1
C70A C 0.7405(12) 0.8238(9) 0.6443(9) 0.030(3) Uiso 0.579(19) 1 d . . P A 1
H70A H 0.8288 0.8619 0.6537 0.035 Uiso 0.579(19) 1 calc R . P A 1
C71A C 0.7223(11) 0.7195(9) 0.6397(8) 0.023(2) Uiso 0.579(19) 1 d . . P A 1
H71A H 0.7980 0.6853 0.6422 0.027 Uiso 0.579(19) 1 calc R . P A 1
C72A C 0.5979(10) 0.6615(9) 0.6314(8) 0.0175(19) Uiso 0.579(19) 1 d . . P A 1
H72A H 0.5884 0.5888 0.6294 0.021 Uiso 0.579(19) 1 calc R . P A 1
P2B P 0.298(3) 0.6503(12) 0.6248(8) 0.026(2) Uani 0.64(8) 1 d . . P A 2
C55B C 0.237(2) 0.7154(14) 0.7339(15) 0.021(4) Uiso 0.291(8) 1 d . . P A 2
C56B C 0.2135(19) 0.8127(13) 0.7521(14) 0.019(4) Uiso 0.291(8) 1 d . . P A 2
H56B H 0.2239 0.8572 0.7062 0.022 Uiso 0.291(8) 1 calc R . P A 2
C57B C 0.172(2) 0.8516(18) 0.8419(19) 0.036(6) Uiso 0.290(15) 1 d . . P A 2
H57B H 0.1428 0.9167 0.8505 0.043 Uiso 0.290(15) 1 calc R . P A 2
C58B C 0.177(2) 0.7894(15) 0.9119(17) 0.028(4) Uiso 0.291(8) 1 d . . P A 2
H58B H 0.1612 0.8152 0.9748 0.033 Uiso 0.291(8) 1 calc R . P A 2
C59B C 0.2043(18) 0.6910(13) 0.8952(14) 0.016(3) Uiso 0.291(8) 1 d . . P A 2
H59B H 0.1979 0.6460 0.9415 0.019 Uiso 0.291(8) 1 calc R . P A 2
C60B C 0.243(2) 0.6585(19) 0.8060(19) 0.022(5) Uiso 0.291(8) 1 d . . P A 2
H60B H 0.2731 0.5940 0.7976 0.026 Uiso 0.291(8) 1 calc R . P A 2
C65B C 0.1698(14) 0.8089(11) 0.3733(10) 0.030(6) Uiso 0.28(2) 1 d . . P A 2
H65B H 0.2059 0.8287 0.3220 0.035 Uiso 0.28(2) 1 calc R . P A 2
C64B C 0.0435(13) 0.8315(11) 0.3758(10) 0.040(6) Uiso 0.296(12) 1 d G . P A 2
H64B H -0.0068 0.8667 0.3262 0.048 Uiso 0.296(12) 1 calc R . P A 2
C63B C -0.0094(11) 0.8026(11) 0.4509(11) 0.020(4) Uiso 0.296(12) 1 d G . P A 2
H63B H -0.0957 0.8180 0.4526 0.024 Uiso 0.296(12) 1 calc R . P A 2
C62B C 0.0642(12) 0.7511(10) 0.5234(10) 0.034(5) Uiso 0.296(12) 1 d G . P A 2
H62B H 0.0281 0.7313 0.5747 0.041 Uiso 0.296(12) 1 calc R . P A 2
C61B C 0.1905(11) 0.7285(9) 0.5209(9) 0.010(3) Uiso 0.296(12) 1 d G . P A 2
C66B C 0.2434(10) 0.7574(10) 0.4458(10) 0.017(4) Uiso 0.296(12) 1 d G . P A 2
H66B H 0.3297 0.7420 0.4441 0.020 Uiso 0.296(12) 1 calc R . P A 2
C71B C 0.7015(9) 0.7463(8) 0.6502(8) 0.016(3) Uiso 0.421(19) 1 d . . P A 2
H71B H 0.7771 0.7140 0.6468 0.019 Uiso 0.421(19) 1 calc R . P A 2
C72B C 0.5748(10) 0.6858(6) 0.6358(7) 0.014(3) Uiso 0.421(19) 1 d G . P A 2
H72B H 0.5639 0.6121 0.6225 0.017 Uiso 0.421(19) 1 calc R . P A 2
C67B C 0.4642(8) 0.7332(8) 0.6409(9) 0.015(3) Uiso 0.421(19) 1 d G . P A 2
C68B C 0.4802(9) 0.8411(8) 0.6603(11) 0.038(4) Uiso 0.421(19) 1 d G . P A 2
H68B H 0.4046 0.8735 0.6637 0.045 Uiso 0.421(19) 1 calc R . P A 2
C69B C 0.6068(10) 0.9016(7) 0.6747(12) 0.049(5) Uiso 0.421(19) 1 d G . P A 2
H69B H 0.6177 0.9754 0.6880 0.058 Uiso 0.421(19) 1 calc R . P A 2
C70B C 0.7174(8) 0.8542(7) 0.6697(9) 0.024(3) Uiso 0.421(19) 1 d G . P A 2
H70B H 0.8040 0.8956 0.6795 0.029 Uiso 0.421(19) 1 calc R . P A 2
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'
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
Cl1 Ru1 Cl2 169.00(5) . .
Cl1 Ru1 Cl3 88.34(4) . .
Cl1 Ru1 Cl4 86.37(4) . .
Cl2 Ru1 Cl3 80.91(4) . .
Cl2 Ru1 Cl4 88.64(4) . .
Cl4 Ru1 Cl3 75.40(4) . .
P1 Ru1 Cl1 91.77(5) . .
P1 Ru1 Cl2 98.22(5) . .
P1 Ru1 Cl3 167.55(5) . .
P1 Ru1 Cl4 92.18(5) . .
P1 Ru1 P2B 100.6(5) . .
P2A Ru1 Cl1 89.4(5) . .
P2A Ru1 Cl2 94.1(5) . .
P2A Ru1 Cl3 96.4(3) . .
P2A Ru1 Cl4 170.9(3) . .
P2A Ru1 P1 96.1(3) . .
P2B Ru1 Cl1 95.7(5) . .
P2B Ru1 Cl2 87.1(6) . .
P2B Ru1 Cl3 91.8(5) . .
P2B Ru1 Cl4 167.0(6) . .
Cl4 Ru2 Cl3 77.07(5) . .
N1 Ru2 Cl3 90.71(14) . .
N1 Ru2 Cl4 167.77(14) . .
N1 Ru2 N2 79.93(17) . .
N1 Ru2 C4 117.9(2) . .
N1 Ru2 C5 81.69(19) . .
N1 Ru2 C19 88.85(18) . .
N1 Ru2 C20 91.57(19) . .
N2 Ru2 Cl3 81.63(12) . .
N2 Ru2 Cl4 98.59(12) . .
N2 Ru2 C4 88.02(16) . .
N2 Ru2 C5 85.89(16) . .
N2 Ru2 C19 162.30(17) . .
N2 Ru2 C20 156.44(17) . .
C4 Ru2 Cl3 147.38(14) . .
C4 Ru2 Cl4 74.02(15) . .
C4 Ru2 C5 36.52(19) . .
C4 Ru2 C19 85.18(18) . .
C4 Ru2 C20 115.22(18) . .
C5 Ru2 Cl3 166.37(12) . .
C5 Ru2 Cl4 110.39(14) . .
C19 Ru2 Cl3 112.39(13) . .
C19 Ru2 Cl4 95.22(14) . .
C19 Ru2 C5 78.93(17) . .
C20 Ru2 Cl3 76.52(14) . .
C20 Ru2 Cl4 85.09(15) . .
C20 Ru2 C5 114.79(18) . .
C20 Ru2 C19 35.95(18) . .
Ru2 Cl3 Ru1 102.30(5) . .
Ru2 Cl4 Ru1 103.97(5) . .
C37 P1 Ru1 113.30(19) . .
C43 P1 Ru1 118.55(19) . .
C43 P1 C37 98.6(2) . .
C49 P1 Ru1 117.06(18) . .
C49 P1 C37 101.3(3) . .
C49 P1 C43 105.2(2) . .
Ru2 N1 H1 106.6 . .
C16 N1 Ru2 116.5(3) . .
C16 N1 H1 106.6 . .
C31 N1 Ru2 105.2(3) . .
C31 N1 H1 106.6 . .
C31 N1 C16 114.7(4) . .
Ru2 N2 H2 105.8 . .
C1 N2 Ru2 120.0(3) . .
C1 N2 H2 105.8 . .
C36 N2 Ru2 110.1(3) . .
C36 N2 H2 105.8 . .
C36 N2 C1 108.2(4) . .
N2 C1 H1A 108.3 . .
C2 C1 N2 110.3(4) . .
C2 C1 H1A 108.3 . .
C7 C1 N2 109.3(4) . .
C7 C1 H1A 108.3 . .
C7 C1 C2 112.3(4) . .
C3 C2 C1 121.1(4) . .
C8 C2 C1 119.5(4) . .
C8 C2 C3 119.3(5) . .
C2 C3 C4 122.2(5) . .
C11 C3 C2 119.2(4) . .
C11 C3 C4 118.6(4) . .
Ru2 C4 H4 111.9 . .
C3 C4 Ru2 113.4(3) . .
C3 C4 H4 111.9 . .
C5 C4 Ru2 73.6(3) . .
C5 C4 C3 127.9(4) . .
C5 C4 H4 111.9 . .
Ru2 C5 H5 112.7 . .
C4 C5 Ru2 69.9(3) . .
C4 C5 H5 112.7 . .
C4 C5 C6 125.7(4) . .
C6 C5 Ru2 116.3(3) . .
C6 C5 H5 112.7 . .
C7 C6 C5 123.1(5) . .
C15 C6 C5 117.3(4) . .
C15 C6 C7 119.6(5) . .
C6 C7 C1 121.1(4) . .
C12 C7 C1 119.8(5) . .
C12 C7 C6 118.9(5) . .
C2 C8 H8 119.7 . .
C9 C8 C2 120.5(5) . .
C9 C8 H8 119.7 . .
C8 C9 H9 120.1 . .
C8 C9 C10 119.8(5) . .
C10 C9 H9 120.1 . .
C9 C10 H10 120.1 . .
C11 C10 C9 119.8(5) . .
C11 C10 H10 120.1 . .
C3 C11 H11 119.4 . .
C10 C11 C3 121.3(5) . .
C10 C11 H11 119.4 . .
C7 C12 H12 119.9 . .
C7 C12 C13 120.2(5) . .
C13 C12 H12 119.9 . .
C12 C13 H13 119.9 . .
C14 C13 C12 120.2(6) . .
C14 C13 H13 119.9 . .
C13 C14 H14 120.0 . .
C13 C14 C15 119.9(6) . .
C15 C14 H14 120.0 . .
C6 C15 H15 119.5 . .
C14 C15 C6 121.0(5) . .
C14 C15 H15 119.5 . .
N1 C16 H16 107.9 . .
C17 C16 N1 108.1(4) . .
C17 C16 H16 107.9 . .
C22 C16 N1 112.4(4) . .
C22 C16 H16 107.9 . .
C22 C16 C17 112.6(4) . .
C18 C17 C16 121.5(5) . .
C23 C17 C16 118.9(5) . .
C23 C17 C18 119.7(5) . .
C17 C18 C19 123.2(5) . .
C26 C18 C17 118.6(5) . .
C26 C18 C19 118.2(5) . .
Ru2 C19 H19 112.8 . .
C18 C19 Ru2 115.4(3) . .
C18 C19 H19 112.8 . .
C20 C19 Ru2 72.0(3) . .
C20 C19 C18 124.6(5) . .
C20 C19 H19 112.8 . .
Ru2 C20 H20 113.4 . .
C19 C20 Ru2 72.0(3) . .
C19 C20 H20 113.4 . .
C19 C20 C21 125.6(5) . .
C21 C20 Ru2 111.9(3) . .
C21 C20 H20 113.4 . .
C22 C21 C20 123.1(4) . .
C30 C21 C20 117.4(5) . .
C30 C21 C22 119.3(5) . .
C21 C22 C16 122.4(4) . .
C27 C22 C16 118.6(5) . .
C27 C22 C21 119.0(5) . .
C17 C23 H23 119.4 . .
C17 C23 C24 121.3(6) . .
C24 C23 H23 119.4 . .
C23 C24 H24 120.5 . .
C25 C24 C23 119.0(6) . .
C25 C24 H24 120.5 . .
C24 C25 H25 120.1 . .
C24 C25 C26 119.9(5) . .
C26 C25 H25 120.1 . .
C18 C26 C25 121.5(6) . .
C18 C26 H26 119.2 . .
C25 C26 H26 119.2 . .
C22 C27 H27 119.6 . .
C28 C27 C22 120.8(5) . .
C28 C27 H27 119.6 . .
C27 C28 H28 120.0 . .
C27 C28 C29 120.1(5) . .
C29 C28 H28 120.0 . .
C28 C29 H29 120.7 . .
C30 C29 C28 118.6(5) . .
C30 C29 H29 120.7 . .
C21 C30 H30 118.9 . .
C29 C30 C21 122.3(5) . .
C29 C30 H30 118.9 . .
N1 C31 H31 108.3 . .
N1 C31 C32 116.4(4) . .
N1 C31 C36 107.9(4) . .
C32 C31 H31 108.3 . .
C36 C31 H31 108.3 . .
C36 C31 C32 107.2(4) . .
C31 C32 H32A 110.1 . .
C31 C32 H32B 110.1 . .
C31 C32 C33 107.8(5) . .
H32A C32 H32B 108.5 . .
C33 C32 H32A 110.1 . .
C33 C32 H32B 110.1 . .
C32 C33 H33A 109.2 . .
C32 C33 H33B 109.2 . .
H33A C33 H33B 107.9 . .
C34 C33 C32 112.2(5) . .
C34 C33 H33A 109.2 . .
C34 C33 H33B 109.2 . .
C33 C34 H34A 109.0 . .
C33 C34 H34B 109.0 . .
C33 C34 C35 113.1(4) . .
H34A C34 H34B 107.8 . .
C35 C34 H34A 109.0 . .
C35 C34 H34B 109.0 . .
C34 C35 H35A 110.0 . .
C34 C35 H35B 110.0 . .
H35A C35 H35B 108.4 . .
C36 C35 C34 108.5(4) . .
C36 C35 H35A 110.0 . .
C36 C35 H35B 110.0 . .
N2 C36 C31 112.7(4) . .
N2 C36 H36 106.8 . .
C31 C36 H36 106.8 . .
C35 C36 N2 113.5(4) . .
C35 C36 C31 109.9(4) . .
C35 C36 H36 106.8 . .
C38 C37 P1 119.7(4) . .
C42 C37 P1 121.7(5) . .
C42 C37 C38 118.5(5) . .
C37 C38 H38 119.7 . .
C39 C38 C37 120.5(5) . .
C39 C38 H38 119.7 . .
C38 C39 H39 119.4 . .
C40 C39 C38 121.2(6) . .
C40 C39 H39 119.4 . .
C39 C40 H40 120.5 . .
C39 C40 C41 118.9(6) . .
C41 C40 H40 120.5 . .
C40 C41 H41 119.6 . .
C40 C41 C42 120.8(6) . .
C42 C41 H41 119.6 . .
C37 C42 C41 120.0(6) . .
C37 C42 H42 120.0 . .
C41 C42 H42 120.0 . .
C44 C43 P1 116.1(4) . .
C48 C43 P1 125.1(4) . .
C48 C43 C44 118.7(5) . .
C43 C44 H44 119.9 . .
C45 C44 C43 120.2(6) . .
C45 C44 H44 119.9 . .
C44 C45 H45 119.9 . .
C44 C45 C46 120.2(6) . .
C46 C45 H45 119.9 . .
C45 C46 H46 120.2 . .
C47 C46 C45 119.7(5) . .
C47 C46 H46 120.2 . .
C46 C47 H47 119.7 . .
C46 C47 C48 120.5(6) . .
C48 C47 H47 119.7 . .
C43 C48 H48 119.7 . .
C47 C48 C43 120.6(6) . .
C47 C48 H48 119.7 . .
C50 C49 P1 120.5(4) . .
C54 C49 P1 120.2(5) . .
C54 C49 C50 118.8(5) . .
C49 C50 H50 120.3 . .
C51 C50 C49 119.4(6) . .
C51 C50 H50 120.3 . .
C50 C51 H51 119.8 . .
C52 C51 C50 120.4(6) . .
C52 C51 H51 119.8 . .
C51 C52 H52 119.7 . .
C53 C52 C51 120.6(5) . .
C53 C52 H52 119.7 . .
C52 C53 H53 120.3 . .
C52 C53 C54 119.5(6) . .
C54 C53 H53 120.3 . .
C49 C54 C53 121.2(6) . .
C49 C54 H54 119.4 . .
C53 C54 H54 119.4 . .
C55A P2A Ru1 117.9(7) . .
C61A P2A Ru1 104.6(8) . .
C61A P2A C55A 98.5(9) . .
C67A P2A Ru1 126.7(11) . .
C67A P2A C55A 102.6(9) . .
C67A P2A C61A 101.9(7) . .
C56A C55A P2A 120.5(7) . .
C60A C55A P2A 120.9(8) . .
C60A C55A C56A 118.6(7) . .
C55A C56A H56A 119.8 . .
C57A C56A C55A 120.5(8) . .
C57A C56A H56A 119.8 . .
C56A C57A H57A 119.5 . .
C56A C57A C58A 121.0(9) . .
C58A C57A H57A 119.5 . .
C57A C58A H58A 120.2 . .
C59A C58A C57A 119.7(9) . .
C59A C58A H58A 120.2 . .
C58A C59A H59A 119.9 . .
C58A C59A C60A 120.1(8) . .
C60A C59A H59A 119.9 . .
C55A C60A C59A 120.1(8) . .
C55A C60A H60A 119.9 . .
C59A C60A H60A 119.9 . .
C62A C61A P2A 124.7(9) . .
C62A C61A C66A 119.0(8) . .
C66A C61A P2A 116.1(8) . .
C61A C62A H62A 120.2 . .
C61A C62A C63A 119.6(8) . .
C63A C62A H62A 120.2 . .
C62A C63A H63A 120.2 . .
C62A C63A C64A 119.7(9) . .
C64A C63A H63A 120.2 . .
C63A C64A H64A 120.5 . .
C65A C64A C63A 118.9(10) . .
C65A C64A H64A 120.5 . .
C64A C65A H65A 119.5 . .
C64A C65A C66A 120.9(10) . .
C66A C65A H65A 119.5 . .
C61A C66A H66A 119.1 . .
C65A C66A C61A 121.8(9) . .
C65A C66A H66A 119.1 . .
C68A C67A P2A 118.6(9) . .
C68A C67A C72A 121.0(8) . .
C72A C67A P2A 120.3(8) . .
C67A C68A H68A 119.8 . .
C67A C68A C69A 120.4(10) . .
C69A C68A H68A 119.8 . .
C68A C69A H69A 121.2 . .
C68A C69A C70A 117.7(10) . .
C70A C69A H69A 121.2 . .
C69A C70A H70A 120.1 . .
C71A C70A C69A 119.7(10) . .
C71A C70A H70A 120.1 . .
C70A C71A H71A 118.8 . .
C70A C71A C72A 122.4(10) . .
C72A C71A H71A 118.8 . .
C67A C72A H72A 120.7 . .
C71A C72A C67A 118.7(9) . .
C71A C72A H72A 120.7 . .
C55B P2B Ru1 123.4(8) . .
C55B P2B C61B 92.5(14) . .
C61B P2B Ru1 106.1(7) . .
C67B P2B Ru1 126.1(14) . .
C67B P2B C55B 105.3(8) . .
C67B P2B C61B 92.1(7) . .
C56B C55B P2B 128.0(15) . .
C60B C55B P2B 111.8(16) . .
C60B C55B C56B 119.3(19) . .
C55B C56B H56B 119.5 . .
C55B C56B C57B 121.1(18) . .
C57B C56B H56B 119.5 . .
C56B C57B H57B 121.8 . .
C58B C57B C56B 116(2) . .
C58B C57B H57B 121.8 . .
C57B C58B H58B 118.7 . .
C57B C58B C59B 123(2) . .
C59B C58B H58B 118.7 . .
C58B C59B H59B 121.3 . .
C58B C59B C60B 117.5(18) . .
C60B C59B H59B 121.3 . .
C55B C60B C59B 122(2) . .
C55B C60B H60B 118.9 . .
C59B C60B H60B 118.9 . .
C64B C65B H65B 120.0 . .
C64B C65B C66B 120.0 . .
C66B C65B H65B 120.0 . .
C65B C64B H64B 120.0 . .
C63B C64B C65B 120.0 . .
C63B C64B H64B 120.0 . .
C64B C63B H63B 120.0 . .
C64B C63B C62B 120.0 . .
C62B C63B H63B 120.0 . .
C63B C62B H62B 120.0 . .
C63B C62B C61B 120.0 . .
C61B C62B H62B 120.0 . .
C62B C61B P2B 120.5(9) . .
C62B C61B C66B 120.0 . .
C66B C61B P2B 119.5(9) . .
C65B C66B H66B 120.0 . .
C61B C66B C65B 120.0 . .
C61B C66B H66B 120.0 . .
C72B C71B H71B 120.0 . .
C72B C71B C70B 120.0 . .
C70B C71B H71B 120.0 . .
C71B C72B H72B 120.0 . .
C71B C72B C67B 120.0 . .
C67B C72B H72B 120.0 . .
C72B C67B P2B 118.9(10) . .
C68B C67B P2B 121.1(10) . .
C68B C67B C72B 120.0 . .
C67B C68B H68B 120.0 . .
C67B C68B C69B 120.0 . .
C69B C68B H68B 120.0 . .
C68B C69B H69B 120.0 . .
C70B C69B C68B 120.0 . .
C70B C69B H69B 120.0 . .
C71B C70B H70B 120.0 . .
C69B C70B C71B 120.0 . .
C69B C70B H70B 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 Cl1 2.4210(12) .
Ru1 Cl2 2.4347(12) .
Ru1 Cl3 2.5052(14) .
Ru1 Cl4 2.4761(14) .
Ru1 P1 2.2819(16) .
Ru1 P2A 2.257(15) .
Ru1 P2B 2.315(13) .
Ru2 Cl3 2.4590(13) .
Ru2 Cl4 2.4309(14) .
Ru2 N1 2.128(5) .
Ru2 N2 2.135(4) .
Ru2 C4 2.221(4) .
Ru2 C5 2.269(5) .
Ru2 C19 2.243(5) .
Ru2 C20 2.243(4) .
P1 C37 1.849(6) .
P1 C43 1.847(5) .
P1 C49 1.845(6) .
N1 H1 1.0000 .
N1 C16 1.513(6) .
N1 C31 1.496(6) .
N2 H2 1.0000 .
N2 C1 1.522(6) .
N2 C36 1.517(6) .
C1 H1A 1.0000 .
C1 C2 1.521(7) .
C1 C7 1.506(7) .
C2 C3 1.402(7) .
C2 C8 1.397(7) .
C3 C4 1.485(7) .
C3 C11 1.387(7) .
C4 H4 1.0000 .
C4 C5 1.408(8) .
C5 H5 1.0000 .
C5 C6 1.464(7) .
C6 C7 1.408(7) .
C6 C15 1.399(8) .
C7 C12 1.402(7) .
C8 H8 0.9500 .
C8 C9 1.379(8) .
C9 H9 0.9500 .
C9 C10 1.394(8) .
C10 H10 0.9500 .
C10 C11 1.370(7) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C12 C13 1.409(9) .
C13 H13 0.9500 .
C13 C14 1.378(9) .
C14 H14 0.9500 .
C14 C15 1.384(8) .
C15 H15 0.9500 .
C16 H16 1.0000 .
C16 C17 1.513(7) .
C16 C22 1.500(7) .
C17 C18 1.398(7) .
C17 C23 1.396(8) .
C18 C19 1.484(7) .
C18 C26 1.392(7) .
C19 H19 1.0000 .
C19 C20 1.384(7) .
C20 H20 1.0000 .
C20 C21 1.487(7) .
C21 C22 1.396(7) .
C21 C30 1.392(7) .
C22 C27 1.395(7) .
C23 H23 0.9500 .
C23 C24 1.397(8) .
C24 H24 0.9500 .
C24 C25 1.383(9) .
C25 H25 0.9500 .
C25 C26 1.395(9) .
C26 H26 0.9500 .
C27 H27 0.9500 .
C27 C28 1.392(7) .
C28 H28 0.9500 .
C28 C29 1.400(8) .
C29 H29 0.9500 .
C29 C30 1.371(7) .
C30 H30 0.9500 .
C31 H31 1.0000 .
C31 C32 1.540(7) .
C31 C36 1.533(7) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C32 C33 1.543(7) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C33 C34 1.529(8) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C34 C35 1.551(8) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C35 C36 1.516(7) .
C36 H36 1.0000 .
C37 C38 1.404(7) .
C37 C42 1.391(8) .
C38 H38 0.9500 .
C38 C39 1.391(8) .
C39 H39 0.9500 .
C39 C40 1.371(9) .
C40 H40 0.9500 .
C40 C41 1.389(11) .
C41 H41 0.9500 .
C41 C42 1.408(10) .
C42 H42 0.9500 .
C43 C44 1.392(7) .
C43 C48 1.392(8) .
C44 H44 0.9500 .
C44 C45 1.391(7) .
C45 H45 0.9500 .
C45 C46 1.394(10) .
C46 H46 0.9500 .
C46 C47 1.364(10) .
C47 H47 0.9500 .
C47 C48 1.389(8) .
C48 H48 0.9500 .
C49 C50 1.413(9) .
C49 C54 1.381(8) .
C50 H50 0.9500 .
C50 C51 1.396(8) .
C51 H51 0.9500 .
C51 C52 1.381(9) .
C52 H52 0.9500 .
C52 C53 1.374(10) .
C53 H53 0.9500 .
C53 C54 1.399(8) .
C54 H54 0.9500 .
P2A C55A 1.901(18) .
P2A C61A 1.897(17) .
P2A C67A 1.79(2) .
C55A C56A 1.403(11) .
C55A C60A 1.390(11) .
C56A H56A 0.9500 .
C56A C57A 1.375(12) .
C57A H57A 0.9500 .
C57A C58A 1.394(12) .
C58A H58A 0.9500 .
C58A C59A 1.360(12) .
C59A H59A 0.9500 .
C59A C60A 1.425(12) .
C60A H60A 0.9500 .
C61A C62A 1.380(11) .
C61A C66A 1.396(12) .
C62A H62A 0.9500 .
C62A C63A 1.397(13) .
C63A H63A 0.9500 .
C63A C64A 1.447(15) .
C64A H64A 0.9500 .
C64A C65A 1.343(14) .
C65A H65A 0.9500 .
C65A C66A 1.371(13) .
C66A H66A 0.9500 .
C67A C68A 1.387(13) .
C67A C72A 1.404(14) .
C68A H68A 0.9500 .
C68A C69A 1.404(14) .
C69A H69A 0.9500 .
C69A C70A 1.452(16) .
C70A H70A 0.9500 .
C70A C71A 1.359(14) .
C71A H71A 0.9500 .
C71A C72A 1.378(12) .
C72A H72A 0.9500 .
P2B C55B 1.92(3) .
P2B C61B 2.04(3) .
P2B C67B 1.855(17) .
C55B C56B 1.34(2) .
C55B C60B 1.33(3) .
C56B H56B 0.9500 .
C56B C57B 1.47(3) .
C57B H57B 0.9500 .
C57B C58B 1.36(3) .
C58B H58B 0.9500 .
C58B C59B 1.37(3) .
C59B H59B 0.9500 .
C59B C60B 1.42(3) .
C60B H60B 0.9500 .
C65B H65B 0.9500 .
C65B C64B 1.3900 .
C65B C66B 1.3900 .
C64B H64B 0.9500 .
C64B C63B 1.3900 .
C63B H63B 0.9500 .
C63B C62B 1.3900 .
C62B H62B 0.9500 .
C62B C61B 1.3900 .
C61B C66B 1.3900 .
C66B H66B 0.9500 .
C71B H71B 0.9500 .
C71B C72B 1.3900 .
C71B C70B 1.3900 .
C72B H72B 0.9500 .
C72B C67B 1.3900 .
C67B C68B 1.3900 .
C68B H68B 0.9500 .
C68B C69B 1.3900 .
C69B H69B 0.9500 .
C69B C70B 1.3900 .
C70B H70B 0.9500 .
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
Ru1 P1 C37 C38 43.4(5) . . . .
Ru1 P1 C37 C42 -138.9(5) . . . .
Ru1 P1 C43 C44 47.9(5) . . . .
Ru1 P1 C43 C48 -135.5(5) . . . .
Ru1 P1 C49 C50 82.5(5) . . . .
Ru1 P1 C49 C54 -89.6(5) . . . .
Ru1 P2A C61A C62A 93.3(9) . . . .
Ru1 P2A C61A C66A -81.6(10) . . . .
Ru1 P2A C67A C68A 146.1(8) . . . .
Ru1 P2A C67A C72A -37.6(13) . . . .
Ru1 P2B C67B C72B -20.8(13) . . . .
Ru1 P2B C67B C68B 160.8(8) . . . .
Ru2 N1 C16 C17 69.1(5) . . . .
Ru2 N1 C16 C22 -55.7(5) . . . .
Ru2 N1 C31 C32 -173.1(3) . . . .
Ru2 N1 C31 C36 -52.5(4) . . . .
Ru2 N2 C1 C2 57.1(5) . . . .
Ru2 N2 C1 C7 -66.9(5) . . . .
Ru2 N2 C36 C31 -4.6(5) . . . .
Ru2 N2 C36 C35 -130.3(3) . . . .
Ru2 C4 C5 C6 -108.5(5) . . . .
Ru2 C5 C6 C7 -49.8(6) . . . .
Ru2 C5 C6 C15 129.3(4) . . . .
Ru2 C19 C20 C21 -104.5(5) . . . .
Ru2 C20 C21 C22 -44.9(6) . . . .
Ru2 C20 C21 C30 130.3(4) . . . .
P1 C37 C38 C39 179.8(4) . . . .
P1 C37 C42 C41 178.9(6) . . . .
P1 C43 C44 C45 179.0(5) . . . .
P1 C43 C48 C47 179.5(6) . . . .
P1 C49 C50 C51 -175.6(5) . . . .
P1 C49 C54 C53 174.6(5) . . . .
N1 C16 C17 C18 -62.2(6) . . . .
N1 C16 C17 C23 116.6(5) . . . .
N1 C16 C22 C21 63.3(6) . . . .
N1 C16 C22 C27 -114.8(5) . . . .
N1 C31 C32 C33 -175.4(4) . . . .
N1 C31 C36 N2 38.1(6) . . . .
N1 C31 C36 C35 165.7(4) . . . .
N2 C1 C2 C3 -58.5(6) . . . .
N2 C1 C2 C8 119.0(5) . . . .
N2 C1 C7 C6 54.6(6) . . . .
N2 C1 C7 C12 -120.5(5) . . . .
C1 N2 C36 C31 -137.6(4) . . . .
C1 N2 C36 C35 96.8(5) . . . .
C1 C2 C3 C4 -1.2(7) . . . .
C1 C2 C3 C11 177.3(5) . . . .
C1 C2 C8 C9 -178.5(5) . . . .
C1 C7 C12 C13 173.1(6) . . . .
C2 C1 C7 C6 -68.2(6) . . . .
C2 C1 C7 C12 116.8(5) . . . .
C2 C3 C4 Ru2 52.3(6) . . . .
C2 C3 C4 C5 -34.7(8) . . . .
C2 C3 C11 C10 1.6(8) . . . .
C2 C8 C9 C10 0.7(9) . . . .
C3 C2 C8 C9 -0.9(8) . . . .
C3 C4 C5 Ru2 107.2(5) . . . .
C3 C4 C5 C6 -1.3(8) . . . .
C4 C3 C11 C10 -179.9(5) . . . .
C4 C5 C6 C7 33.5(7) . . . .
C4 C5 C6 C15 -147.5(5) . . . .
C5 C6 C7 C1 7.0(7) . . . .
C5 C6 C7 C12 -177.9(5) . . . .
C5 C6 C15 C14 179.3(6) . . . .
C6 C7 C12 C13 -2.1(9) . . . .
C7 C1 C2 C3 63.7(6) . . . .
C7 C1 C2 C8 -118.8(5) . . . .
C7 C6 C15 C14 -1.5(9) . . . .
C7 C12 C13 C14 -0.4(11) . . . .
C8 C2 C3 C4 -178.7(5) . . . .
C8 C2 C3 C11 -0.2(7) . . . .
C8 C9 C10 C11 0.6(9) . . . .
C9 C10 C11 C3 -1.8(9) . . . .
C11 C3 C4 Ru2 -126.1(4) . . . .
C11 C3 C4 C5 146.9(5) . . . .
C12 C13 C14 C15 2.0(12) . . . .
C13 C14 C15 C6 -1.0(11) . . . .
C15 C6 C7 C1 -172.1(5) . . . .
C15 C6 C7 C12 3.0(8) . . . .
C16 N1 C31 C32 57.6(6) . . . .
C16 N1 C31 C36 178.2(4) . . . .
C16 C17 C18 C19 0.6(7) . . . .
C16 C17 C18 C26 179.2(4) . . . .
C16 C17 C23 C24 -178.5(5) . . . .
C16 C22 C27 C28 -179.3(5) . . . .
C17 C16 C22 C21 -59.1(6) . . . .
C17 C16 C22 C27 122.8(5) . . . .
C17 C18 C19 Ru2 43.6(6) . . . .
C17 C18 C19 C20 -41.4(7) . . . .
C17 C18 C26 C25 0.0(7) . . . .
C17 C23 C24 C25 -1.4(8) . . . .
C18 C17 C23 C24 0.3(8) . . . .
C18 C19 C20 Ru2 108.9(5) . . . .
C18 C19 C20 C21 4.3(8) . . . .
C19 C18 C26 C25 178.7(5) . . . .
C19 C20 C21 C22 38.2(7) . . . .
C19 C20 C21 C30 -146.6(5) . . . .
C20 C21 C22 C16 -4.7(7) . . . .
C20 C21 C22 C27 173.4(5) . . . .
C20 C21 C30 C29 -175.7(5) . . . .
C21 C22 C27 C28 2.5(7) . . . .
C22 C16 C17 C18 62.6(6) . . . .
C22 C16 C17 C23 -118.6(5) . . . .
C22 C21 C30 C29 -0.3(8) . . . .
C22 C27 C28 C29 -1.2(8) . . . .
C23 C17 C18 C19 -178.2(4) . . . .
C23 C17 C18 C26 0.4(7) . . . .
C23 C24 C25 C26 1.8(8) . . . .
C24 C25 C26 C18 -1.1(8) . . . .
C26 C18 C19 Ru2 -135.0(4) . . . .
C26 C18 C19 C20 140.0(5) . . . .
C27 C28 C29 C30 -0.9(8) . . . .
C28 C29 C30 C21 1.6(8) . . . .
C30 C21 C22 C16 -179.9(4) . . . .
C30 C21 C22 C27 -1.8(7) . . . .
C31 N1 C16 C17 -167.4(4) . . . .
C31 N1 C16 C22 67.7(6) . . . .
C31 C32 C33 C34 -56.1(6) . . . .
C32 C31 C36 N2 164.3(4) . . . .
C32 C31 C36 C35 -68.2(5) . . . .
C32 C33 C34 C35 51.0(7) . . . .
C33 C34 C35 C36 -52.0(6) . . . .
C34 C35 C36 N2 -172.2(4) . . . .
C34 C35 C36 C31 60.7(5) . . . .
C36 N2 C1 C2 -175.5(4) . . . .
C36 N2 C1 C7 60.6(5) . . . .
C36 C31 C32 C33 63.6(5) . . . .
C37 P1 C43 C44 -74.6(5) . . . .
C37 P1 C43 C48 101.9(6) . . . .
C37 P1 C49 C50 -153.8(5) . . . .
C37 P1 C49 C54 34.2(5) . . . .
C37 C38 C39 C40 0.5(9) . . . .
C38 C37 C42 C41 -3.3(10) . . . .
C38 C39 C40 C41 -1.6(12) . . . .
C39 C40 C41 C42 0.1(13) . . . .
C40 C41 C42 C37 2.3(13) . . . .
C42 C37 C38 C39 2.0(8) . . . .
C43 P1 C37 C38 169.6(4) . . . .
C43 P1 C37 C42 -12.6(6) . . . .
C43 P1 C49 C50 -51.5(5) . . . .
C43 P1 C49 C54 136.5(5) . . . .
C43 C44 C45 C46 -0.7(9) . . . .
C44 C43 C48 C47 -4.0(10) . . . .
C44 C45 C46 C47 0.8(11) . . . .
C45 C46 C47 C48 -2.5(12) . . . .
C46 C47 C48 C43 4.2(12) . . . .
C48 C43 C44 C45 2.3(9) . . . .
C49 P1 C37 C38 -82.9(5) . . . .
C49 P1 C37 C42 94.9(5) . . . .
C49 P1 C43 C44 -178.9(4) . . . .
C49 P1 C43 C48 -2.4(6) . . . .
C49 C50 C51 C52 2.4(9) . . . .
C50 C49 C54 C53 2.4(9) . . . .
C50 C51 C52 C53 -0.2(10) . . . .
C51 C52 C53 C54 -0.9(9) . . . .
C52 C53 C54 C49 -0.3(9) . . . .
C54 C49 C50 C51 -3.4(9) . . . .
P2A C55A C56A C57A -174.1(9) . . . .
P2A C55A C60A C59A 173.5(9) . . . .
P2A C61A C62A C63A -176.5(9) . . . .
P2A C61A C66A C65A 177.9(9) . . . .
P2A C67A C68A C69A 175.3(10) . . . .
P2A C67A C72A C71A -175.0(9) . . . .
C55A P2A C61A C62A -28.5(12) . . . .
C55A P2A C61A C66A 156.6(7) . . . .
C55A P2A C67A C68A -74.1(10) . . . .
C55A P2A C67A C72A 102.3(10) . . . .
C55A C56A C57A C58A -0.3(14) . . . .
C56A C55A C60A C59A -2.5(13) . . . .
C56A C57A C58A C59A -0.9(14) . . . .
C57A C58A C59A C60A 0.3(14) . . . .
C58A C59A C60A C55A 1.4(13) . . . .
C60A C55A C56A C57A 1.9(13) . . . .
C61A P2A C67A C68A 27.5(12) . . . .
C61A P2A C67A C72A -156.1(8) . . . .
C61A C62A C63A C64A 0.4(13) . . . .
C62A C61A C66A C65A 2.7(12) . . . .
C62A C63A C64A C65A 0.1(15) . . . .
C63A C64A C65A C66A 0.8(15) . . . .
C64A C65A C66A C61A -2.2(14) . . . .
C66A C61A C62A C63A -1.7(12) . . . .
C67A P2A C61A C62A -133.3(9) . . . .
C67A P2A C61A C66A 51.7(11) . . . .
C67A C68A C69A C70A -1.4(15) . . . .
C68A C67A C72A C71A 1.3(14) . . . .
C68A C69A C70A C71A 3.5(16) . . . .
C69A C70A C71A C72A -3.3(16) . . . .
C70A C71A C72A C67A 0.9(15) . . . .
C72A C67A C68A C69A -1.0(15) . . . .
P2B C55B C56B C57B -177.8(18) . . . .
P2B C55B C60B C59B 179.3(18) . . . .
P2B C61B C66B C65B 178.7(9) . . . .
P2B C67B C68B C69B 178.3(8) . . . .
C55B P2B C67B C72B 134.3(11) . . . .
C55B P2B C67B C68B -44.0(14) . . . .
C55B C56B C57B C58B 9(3) . . . .
C56B C55B C60B C59B 9(3) . . . .
C56B C57B C58B C59B -7(3) . . . .
C57B C58B C59B C60B 7(3) . . . .
C58B C59B C60B C55B -8(3) . . . .
C60B C55B C56B C57B -10(3) . . . .
C65B C64B C63B C62B 0.0 . . . .
C64B C65B C66B C61B 0.0 . . . .
C64B C63B C62B C61B 0.0 . . . .
C63B C62B C61B P2B -178.7(9) . . . .
C63B C62B C61B C66B 0.0 . . . .
C62B C61B C66B C65B 0.0 . . . .
C61B P2B C67B C72B -132.5(9) . . . .
C61B P2B C67B C68B 49.1(8) . . . .
C66B C65B C64B C63B 0.0 . . . .
C71B C72B C67B P2B -178.4(8) . . . .
C71B C72B C67B C68B 0.0 . . . .
C72B C71B C70B C69B 0.0 . . . .
C72B C67B C68B C69B 0.0 . . . .
C67B C68B C69B C70B 0.0 . . . .
C68B C69B C70B C71B 0.0 . . . .
C70B C71B C72B C67B 0.0 . . . .
