#------------------------------------------------------------------------------
#$Date: 2018-11-01 02:10:04 +0200 (Thu, 01 Nov 2018) $
#$Revision: 211734 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/79/7047928.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_7047928
loop_
_publ_author_name
'Misawa-Suzuki, T.'
'Matsuya, K.'
'Watanabe, T.'
'Nagao, H.'
_publ_section_title
;
 Triply bridged dinuclear ruthenium complexes bearing
 alkylbis(2-pyridylmethyl)amine in the mixed-valence state of
 Ru(ii)--Ru(iii)
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/C8DT03507E
_journal_year                    2018
_chemical_formula_moiety         'C30 H37 Cl3 F12 N6 O P2 Ru2'
_chemical_formula_sum            'C30 H37 Cl3 F12 N6 O P2 Ru2'
_chemical_formula_weight         1096.09
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2018-08-28 deposited with the CCDC.
2018-10-23 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 118.459(12)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   12.479(11)
_cell_length_b                   26.90(2)
_cell_length_c                   13.186(12)
_cell_measurement_reflns_used    8838
_cell_measurement_temperature    93
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.87
_cell_volume                     3891(6)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.3'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2018)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0322
_diffrn_reflns_av_unetI/netI     0.0313
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            36618
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.518
_diffrn_reflns_theta_min         2.872
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.158
_exptl_absorpt_correction_T_max  0.966
_exptl_absorpt_correction_T_min  0.864
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.871
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             2176.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.030
_refine_diff_density_max         2.31
_refine_diff_density_min         -1.37
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     629
_refine_ls_number_reflns         8813
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0581
_refine_ls_R_factor_gt           0.0529
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0589P)²+13.7618P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1242
_refine_ls_wR_factor_ref         0.1291
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7996
_reflns_number_total             8813
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            c8dt03507e2.cif
_cod_data_source_block           m-Cl3_reanal
_cod_original_cell_volume        3892(6)
_cod_database_code               7047928
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 +X,-1/2-Y,-1/2+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
Ru1 Ru 0.48821(3) 0.38684(2) 0.36635(3) 0.02091(10) Uani 1 1 d . .
Ru2 Ru 0.31106(3) 0.34041(2) 0.41618(3) 0.02121(10) Uani 1 1 d . .
Cl1 Cl 0.50742(9) 0.30713(4) 0.45653(9) 0.0270(2) Uani 1 1 d . .
Cl2 Cl 0.40619(9) 0.41983(4) 0.48462(8) 0.0233(2) Uani 1 1 d . .
Cl3 Cl 0.28552(9) 0.36086(4) 0.22744(8) 0.0251(2) Uani 1 1 d . .
P1 P 0.24541(11) 0.44811(5) 0.81737(10) 0.0315(3) Uani 1 1 d . .
P2 P -0.15120(16) 0.30732(7) 0.93757(17) 0.0600(5) Uani 1 1 d . .
F1 F 0.1303(3) 0.41317(13) 0.7400(3) 0.0577(9) Uani 1 1 d . .
F2 F 0.3612(3) 0.48210(13) 0.8910(3) 0.0566(9) Uani 1 1 d . .
F3 F 0.3031(3) 0.40474(12) 0.9098(2) 0.0474(8) Uani 1 1 d . .
F4 F 0.1868(3) 0.49126(11) 0.7236(3) 0.0471(7) Uani 1 1 d . .
F5 F 0.3115(3) 0.42700(12) 0.7477(3) 0.0516(8) Uani 1 1 d . .
F6 F 0.1765(4) 0.46868(16) 0.8829(4) 0.0749(12) Uani 1 1 d . .
F7 F -0.0753(6) 0.2590(2) 0.9490(6) 0.129(2) Uani 1 1 d . .
F8 F -0.2281(4) 0.35581(15) 0.9265(4) 0.0747(12) Uani 1 1 d . .
F9 F -0.0290(5) 0.3362(4) 0.9857(8) 0.196(5) Uani 1 1 d . .
F10 F -0.2597(6) 0.27711(18) 0.9170(9) 0.180(4) Uani 1 1 d . .
F11 F -0.1672(6) 0.3144(3) 0.8161(4) 0.119(2) Uani 1 1 d . .
F12 F -0.1156(6) 0.3080(3) 1.0748(5) 0.155(3) Uani 1 1 d . .
O1 O -0.0089(19) 0.4383(6) -0.0112(14) 0.294(9) Uani 1 1 d . .
N1 N 0.4818(3) 0.45339(14) 0.2794(3) 0.0267(7) Uani 1 1 d . .
N2 N 0.5594(3) 0.36306(15) 0.2625(3) 0.0282(8) Uani 1 1 d . .
N3 N 0.6551(3) 0.41352(13) 0.4847(3) 0.0251(7) Uani 1 1 d . .
N4 N 0.3246(3) 0.31532(13) 0.5740(3) 0.0263(7) Uani 1 1 d . .
N5 N 0.1475(3) 0.36891(13) 0.3901(3) 0.0232(7) Uani 1 1 d . .
N6 N 0.2219(3) 0.27386(13) 0.3647(3) 0.0277(7) Uani 1 1 d . .
C1 C 0.3873(4) 0.49010(17) 0.2728(4) 0.0319(9) Uani 1 1 d . .
H1 H 0.415(4) 0.5015(18) 0.352(4) 0.024(12) Uiso 1 1 d . .
H2 H 0.311(4) 0.4718(17) 0.242(4) 0.020(11) Uiso 1 1 d . .
C2 C 0.3656(5) 0.5335(2) 0.1914(5) 0.0407(11) Uani 1 1 d . .
H3 H 0.443(5) 0.5526(19) 0.211(4) 0.033(13) Uiso 1 1 d . .
H4 H 0.306(6) 0.558(2) 0.195(5) 0.056(18) Uiso 1 1 d . .
H5 H 0.327(6) 0.522(2) 0.110(6) 0.052(17) Uiso 1 1 d . .
C3 C 0.4543(4) 0.43689(19) 0.1603(4) 0.0314(9) Uani 1 1 d . .
H6 H 0.470(5) 0.4645(19) 0.119(4) 0.034(13) Uiso 1 1 d . .
H7 H 0.369(5) 0.4297(19) 0.121(4) 0.034(14) Uiso 1 1 d . .
C4 C 0.6081(4) 0.47632(19) 0.3371(4) 0.0318(10) Uani 1 1 d . .
H8 H 0.651(5) 0.4660(19) 0.285(5) 0.036(14) Uiso 1 1 d . .
H9 H 0.605(5) 0.509(2) 0.344(5) 0.047(16) Uiso 1 1 d . .
C5 C 0.5333(4) 0.3932(2) 0.1712(4) 0.0338(10) Uani 1 1 d . .
C6 C 0.5790(5) 0.3832(3) 0.0962(5) 0.0505(15) Uani 1 1 d . .
H10 H 0.564(5) 0.404(2) 0.041(5) 0.042(16) Uiso 1 1 d . .
C7 C 0.6529(6) 0.3421(3) 0.1146(5) 0.0607(19) Uani 1 1 d . .
H11 H 0.689(8) 0.339(3) 0.065(7) 0.10(3) Uiso 1 1 d . .
C8 C 0.6786(5) 0.3117(3) 0.2074(5) 0.0535(16) Uani 1 1 d . .
H12 H 0.725(5) 0.283(2) 0.218(5) 0.047(16) Uiso 1 1 d . .
C9 C 0.6314(4) 0.3234(2) 0.2803(5) 0.0371(11) Uani 1 1 d . .
H13 H 0.640(4) 0.3045(18) 0.333(4) 0.022(13) Uiso 1 1 d . .
C10 C 0.6882(4) 0.45662(17) 0.4556(4) 0.0272(9) Uani 1 1 d . .
C11 C 0.7968(4) 0.4805(2) 0.5317(5) 0.0371(11) Uani 1 1 d . .
H14 H 0.812(5) 0.506(2) 0.509(4) 0.030(14) Uiso 1 1 d . .
C12 C 0.8699(4) 0.4605(2) 0.6377(5) 0.0407(12) Uani 1 1 d . .
H15 H 0.950(5) 0.477(2) 0.693(5) 0.038(14) Uiso 1 1 d . .
C13 C 0.8343(4) 0.41629(19) 0.6686(4) 0.0361(11) Uani 1 1 d . .
H16 H 0.871(6) 0.401(3) 0.739(6) 0.06(2) Uiso 1 1 d . .
C14 C 0.7268(4) 0.39387(17) 0.5899(4) 0.0299(9) Uani 1 1 d . .
H17 H 0.697(5) 0.363(2) 0.607(4) 0.034(14) Uiso 1 1 d . .
C15 C 0.4315(5) 0.3358(2) 0.6799(4) 0.0341(10) Uani 1 1 d . .
H18 H 0.502(5) 0.332(2) 0.673(5) 0.042(15) Uiso 1 1 d . .
H19 H 0.416(5) 0.370(2) 0.680(4) 0.031(13) Uiso 1 1 d . .
C16 C 0.4485(5) 0.3147(2) 0.7937(4) 0.0423(12) Uani 1 1 d . .
H20 H 0.519863 0.330088 0.857729 0.051 Uiso 1 1 calc R U
H21 H 0.375854 0.321702 0.801782 0.051 Uiso 1 1 calc R U
H22 H 0.460729 0.278668 0.794954 0.051 Uiso 1 1 calc R U
C17 C 0.2047(4) 0.32711(19) 0.5736(4) 0.0324(10) Uani 1 1 d . .
H24 H 0.223(6) 0.342(2) 0.651(6) 0.058(19) Uiso 1 1 d . .
H23 H 0.167(7) 0.293(3) 0.573(6) 0.08(2) Uiso 1 1 d . .
C18 C 0.3361(4) 0.25984(17) 0.5691(4) 0.0323(10) Uani 1 1 d . .
H25 H 0.326(5) 0.2444(19) 0.634(4) 0.034(13) Uiso 1 1 d . .
H26 H 0.416(4) 0.2543(17) 0.584(4) 0.021(11) Uiso 1 1 d . .
C19 C 0.1192(4) 0.35884(16) 0.4752(4) 0.0275(9) Uani 1 1 d . .
C20 C 0.0115(5) 0.37636(19) 0.4694(5) 0.0377(11) Uani 1 1 d . .
H27 H -0.011(5) 0.369(2) 0.534(5) 0.044(15) Uiso 1 1 d . .
C21 C -0.0682(5) 0.4042(2) 0.3740(5) 0.0452(13) Uani 1 1 d . .
H28 H -0.143(6) 0.414(2) 0.370(6) 0.07(2) Uiso 1 1 d . .
C22 C -0.0377(5) 0.4138(2) 0.2879(5) 0.0460(13) Uani 1 1 d . .
H29 H -0.092(6) 0.434(2) 0.223(6) 0.056(18) Uiso 1 1 d . .
C23 C 0.0704(4) 0.3960(2) 0.2983(4) 0.0372(11) Uani 1 1 d . .
H30 H 0.092(4) 0.4012(17) 0.239(4) 0.024(12) Uiso 1 1 d . .
C24 C 0.2448(4) 0.24184(16) 0.4517(4) 0.0317(9) Uani 1 1 d . .
C25 C 0.1820(5) 0.19796(19) 0.4319(5) 0.0431(12) Uani 1 1 d . .
H31 H 0.201(6) 0.173(2) 0.496(5) 0.053(17) Uiso 1 1 d . .
C26 C 0.0922(5) 0.1870(2) 0.3211(5) 0.0457(13) Uani 1 1 d . .
H32 H 0.052(5) 0.155(2) 0.303(5) 0.049(17) Uiso 1 1 d . .
C27 C 0.0666(5) 0.2197(2) 0.2331(5) 0.0389(11) Uani 1 1 d . .
H33 H 0.006(6) 0.214(2) 0.159(6) 0.055(18) Uiso 1 1 d . .
C28 C 0.1336(4) 0.26348(18) 0.2573(4) 0.0330(10) Uani 1 1 d . .
H34 H 0.122(4) 0.2876(16) 0.200(4) 0.016(10) Uiso 1 1 d . .
C30 C 0.0910(7) 0.4899(3) 0.1448(6) 0.0689(19) Uani 1 1 d . .
C29 C 0.0244(6) 0.4799(3) 0.0391(5) 0.066(2) Uani 1 1 d . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ru Ru -1.2594 0.8363
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
C C 0.0033 0.0016
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(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_3
N3 Ru1 N2 90.66(15) .
N3 Ru1 N1 82.99(15) .
N2 Ru1 N1 79.54(16) .
N3 Ru1 Cl2 88.22(12) .
N2 Ru1 Cl2 176.46(11) .
N1 Ru1 Cl2 96.99(11) .
N3 Ru1 Cl1 96.32(11) .
N2 Ru1 Cl1 94.52(12) .
N1 Ru1 Cl1 174.00(10) .
Cl2 Ru1 Cl1 88.93(6) .
N3 Ru1 Cl3 176.03(10) .
N2 Ru1 Cl3 91.92(12) .
N1 Ru1 Cl3 94.51(11) .
Cl2 Ru1 Cl3 89.03(8) .
Cl1 Ru1 Cl3 86.48(5) .
N3 Ru1 Ru2 126.30(12) .
N2 Ru1 Ru2 129.79(11) .
N1 Ru1 Ru2 131.27(10) .
Cl2 Ru1 Ru2 53.21(5) .
Cl1 Ru1 Ru2 53.60(4) .
Cl3 Ru1 Ru2 53.53(7) .
N6 Ru2 N5 86.04(15) .
N6 Ru2 N4 79.82(15) .
N5 Ru2 N4 83.74(14) .
N6 Ru2 Cl2 175.32(10) .
N5 Ru2 Cl2 90.27(11) .
N4 Ru2 Cl2 96.93(11) .
N6 Ru2 Cl3 94.21(11) .
N5 Ru2 Cl3 96.31(10) .
N4 Ru2 Cl3 174.02(10) .
Cl2 Ru2 Cl3 89.06(5) .
N6 Ru2 Cl1 94.76(11) .
N5 Ru2 Cl1 177.33(10) .
N4 Ru2 Cl1 93.88(10) .
Cl2 Ru2 Cl1 88.80(6) .
Cl3 Ru2 Cl1 86.18(4) .
N6 Ru2 Ru1 131.33(10) .
N5 Ru2 Ru1 127.72(11) .
N4 Ru2 Ru1 130.80(10) .
Cl2 Ru2 Ru1 53.35(4) .
Cl3 Ru2 Ru1 53.43(3) .
Cl1 Ru2 Ru1 53.28(6) .
Ru1 Cl1 Ru2 73.12(4) .
Ru2 Cl2 Ru1 73.44(5) .
Ru1 Cl3 Ru2 73.04(5) .
F6 P1 F2 92.1(2) .
F6 P1 F3 90.2(2) .
F2 P1 F3 90.35(18) .
F6 P1 F4 90.1(2) .
F2 P1 F4 90.14(19) .
F3 P1 F4 179.4(2) .
F6 P1 F5 178.4(2) .
F2 P1 F5 89.3(2) .
F3 P1 F5 90.63(19) .
F4 P1 F5 89.11(18) .
F6 P1 F1 89.9(2) .
F2 P1 F1 178.0(2) .
F3 P1 F1 89.95(18) .
F4 P1 F1 89.56(18) .
F5 P1 F1 88.7(2) .
F10 P2 F11 103.0(5) .
F10 P2 F9 168.0(6) .
F11 P2 F9 88.8(5) .
F10 P2 F7 91.2(3) .
F11 P2 F7 88.6(3) .
F9 P2 F7 86.8(4) .
F10 P2 F8 88.5(3) .
F11 P2 F8 91.7(3) .
F9 P2 F8 93.4(4) .
F7 P2 F8 179.6(3) .
F10 P2 F12 87.2(5) .
F11 P2 F12 169.5(5) .
F9 P2 F12 81.2(5) .
F7 P2 F12 93.9(3) .
F8 P2 F12 85.8(3) .
C3 N1 C1 110.4(3) .
C3 N1 C4 108.0(3) .
C1 N1 C4 111.1(4) .
C3 N1 Ru1 104.3(3) .
C1 N1 Ru1 114.5(3) .
C4 N1 Ru1 108.2(3) .
C9 N2 C5 119.2(4) .
C9 N2 Ru1 126.6(3) .
C5 N2 Ru1 114.0(3) .
C10 N3 C14 119.1(4) .
C10 N3 Ru1 115.1(3) .
C14 N3 Ru1 125.6(3) .
C15 N4 C18 110.1(4) .
C15 N4 C17 111.2(4) .
C18 N4 C17 108.6(3) .
C15 N4 Ru2 114.6(3) .
C18 N4 Ru2 103.8(3) .
C17 N4 Ru2 108.1(3) .
C23 N5 C19 119.8(4) .
C23 N5 Ru2 125.5(3) .
C19 N5 Ru2 114.7(3) .
C28 N6 C24 119.8(4) .
C28 N6 Ru2 125.0(3) .
C24 N6 Ru2 114.5(3) .
N1 C1 C2 114.5(4) .
N1 C1 H1 106(3) .
C2 C1 H1 112(3) .
N1 C1 H2 106(3) .
C2 C1 H2 106(3) .
H1 C1 H2 113(4) .
C1 C2 H3 112(3) .
C1 C2 H4 111(4) .
H3 C2 H4 107(5) .
C1 C2 H5 110(4) .
H3 C2 H5 111(5) .
H4 C2 H5 106(5) .
C5 C3 N1 108.6(4) .
C5 C3 H6 110(3) .
N1 C3 H6 110(3) .
C5 C3 H7 114(3) .
N1 C3 H7 105(3) .
H6 C3 H7 109(4) .
C10 C4 N1 113.4(4) .
C10 C4 H8 106(3) .
N1 C4 H8 107(3) .
C10 C4 H9 107(4) .
N1 C4 H9 111(4) .
H8 C4 H9 112(5) .
N2 C5 C6 120.8(5) .
N2 C5 C3 115.1(4) .
C6 C5 C3 124.2(5) .
C5 C6 C7 119.8(6) .
C5 C6 H10 118(4) .
C7 C6 H10 122(4) .
C8 C7 C6 118.9(5) .
C8 C7 H11 125(5) .
C6 C7 H11 116(5) .
C7 C8 C9 119.2(6) .
C7 C8 H12 119(4) .
C9 C8 H12 122(4) .
N2 C9 C8 122.1(6) .
N2 C9 H13 117(3) .
C8 C9 H13 121(3) .
N3 C10 C11 121.0(4) .
N3 C10 C4 117.4(4) .
C11 C10 C4 121.5(4) .
C12 C11 C10 120.0(5) .
C12 C11 H14 124(4) .
C10 C11 H14 116(4) .
C11 C12 C13 118.9(5) .
C11 C12 H15 122(3) .
C13 C12 H15 120(3) .
C14 C13 C12 118.9(5) .
C14 C13 H16 114(4) .
C12 C13 H16 127(4) .
N3 C14 C13 122.1(5) .
N3 C14 H17 116(3) .
C13 C14 H17 122(3) .
N4 C15 C16 115.1(4) .
N4 C15 H18 109(4) .
C16 C15 H18 111(4) .
N4 C15 H19 105(3) .
C16 C15 H19 107(3) .
H18 C15 H19 109(5) .
C15 C16 H20 109.5 .
C15 C16 H21 109.5 .
H20 C16 H21 109.5 .
C15 C16 H22 109.5 .
H20 C16 H22 109.5 .
H21 C16 H22 109.5 .
C19 C17 N4 114.5(4) .
C19 C17 H24 112(4) .
N4 C17 H24 109(4) .
C19 C17 H23 112(4) .
N4 C17 H23 105(4) .
H24 C17 H23 104(5) .
C24 C18 N4 108.9(4) .
C24 C18 H25 114(3) .
N4 C18 H25 109(3) .
C24 C18 H26 112(3) .
N4 C18 H26 105(3) .
H25 C18 H26 108(4) .
N5 C19 C20 120.8(4) .
N5 C19 C17 118.3(4) .
C20 C19 C17 120.8(4) .
C19 C20 C21 119.2(5) .
C19 C20 H27 121(3) .
C21 C20 H27 119(3) .
C22 C21 C20 119.0(5) .
C22 C21 H28 124(4) .
C20 C21 H28 117(4) .
C23 C22 C21 119.6(5) .
C23 C22 H29 122(4) .
C21 C22 H29 119(4) .
N5 C23 C22 121.6(5) .
N5 C23 H30 117(3) .
C22 C23 H30 121(3) .
N6 C24 C25 121.1(5) .
N6 C24 C18 114.8(4) .
C25 C24 C18 124.0(5) .
C24 C25 C26 119.1(5) .
C24 C25 H31 122(4) .
C26 C25 H31 119(4) .
C27 C26 C25 120.2(5) .
C27 C26 H32 118(4) .
C25 C26 H32 121(4) .
C26 C27 C28 118.6(5) .
C26 C27 H33 122(4) .
C28 C27 H33 120(4) .
N6 C28 C27 121.2(5) .
N6 C28 H34 116(3) .
C27 C28 H34 123(3) .
O1 C29 C30 130.1(11) .
O1 C29 C29 111.9(11) 3_565
C30 C29 C29 118.0(11) 3_565
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 N3 2.047(4) .
Ru1 N2 2.057(4) .
Ru1 N1 2.107(4) .
Ru1 Cl2 2.4059(17) .
Ru1 Cl1 2.4079(19) .
Ru1 Cl3 2.414(2) .
Ru1 Ru2 2.8745(19) .
Ru2 N6 2.046(4) .
Ru2 N5 2.050(4) .
Ru2 N4 2.116(4) .
Ru2 Cl2 2.4015(19) .
Ru2 Cl3 2.417(2) .
Ru2 Cl1 2.418(2) .
P1 F6 1.581(4) .
P1 F2 1.590(3) .
P1 F3 1.590(3) .
P1 F4 1.597(3) .
P1 F5 1.603(3) .
P1 F1 1.610(3) .
P2 F10 1.489(5) .
P2 F11 1.529(5) .
P2 F9 1.552(7) .
P2 F7 1.573(5) .
P2 F8 1.584(4) .
P2 F12 1.645(6) .
O1 C29 1.266(17) .
N1 C3 1.506(6) .
N1 C1 1.508(6) .
N1 C4 1.517(6) .
N2 C9 1.341(6) .
N2 C5 1.357(6) .
N3 C10 1.347(6) .
N3 C14 1.350(6) .
N4 C15 1.503(6) .
N4 C18 1.504(6) .
N4 C17 1.527(6) .
N5 C23 1.346(6) .
N5 C19 1.354(5) .
N6 C28 1.345(6) .
N6 C24 1.352(6) .
C1 C2 1.520(7) .
C1 H1 0.98(5) .
C1 H2 0.97(5) .
C2 H3 1.02(5) .
C2 H4 1.02(7) .
C2 H5 0.99(6) .
C3 C5 1.496(7) .
C3 H6 0.99(5) .
C3 H7 0.96(5) .
C4 C10 1.495(6) .
C4 H8 1.08(5) .
C4 H9 0.90(6) .
C5 C6 1.384(7) .
C6 C7 1.386(9) .
C6 H10 0.86(6) .
C7 C8 1.376(10) .
C7 H11 0.95(9) .
C8 C9 1.382(7) .
C8 H12 0.93(6) .
C9 H13 0.82(5) .
C10 C11 1.400(6) .
C11 C12 1.364(8) .
C11 H14 0.81(5) .
C12 C13 1.398(8) .
C12 H15 1.01(5) .
C13 C14 1.383(6) .
C13 H16 0.91(7) .
C14 H17 0.99(5) .
C15 C16 1.522(7) .
C15 H18 0.93(6) .
C15 H19 0.93(5) .
C16 H20 0.9800 .
C16 H21 0.9800 .
C16 H22 0.9800 .
C17 C19 1.494(6) .
C17 H24 1.02(7) .
C17 H23 1.02(8) .
C18 C24 1.499(7) .
C18 H25 1.01(5) .
C18 H26 0.94(5) .
C19 C20 1.392(6) .
C20 C21 1.392(7) .
C20 H27 1.04(6) .
C21 C22 1.383(7) .
C21 H28 0.95(7) .
C22 C23 1.376(7) .
C22 H29 0.96(6) .
C23 H30 0.96(5) .
C24 C25 1.371(7) .
C25 C26 1.384(8) .
C25 H31 1.02(6) .
C26 C27 1.367(8) .
C26 H32 0.97(6) .
C27 C28 1.391(7) .
C27 H33 0.92(6) .
C28 H34 0.96(4) .
C30 C29 1.266(10) .
C29 C29 1.414(15) 3_565
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
C3 N1 C1 C2 -51.5(5)
C4 N1 C1 C2 68.3(5)
Ru1 N1 C1 C2 -168.9(3)
C1 N1 C3 C5 -168.3(4)
C4 N1 C3 C5 70.0(5)
Ru1 N1 C3 C5 -44.9(4)
C3 N1 C4 C10 -130.8(4)
C1 N1 C4 C10 108.0(4)
Ru1 N1 C4 C10 -18.4(5)
C9 N2 C5 C6 0.7(7)
Ru1 N2 C5 C6 177.4(4)
C9 N2 C5 C3 -178.9(4)
Ru1 N2 C5 C3 -2.2(5)
N1 C3 C5 N2 32.6(5)
N1 C3 C5 C6 -146.9(5)
N2 C5 C6 C7 -0.4(8)
C3 C5 C6 C7 179.2(5)
C5 C6 C7 C8 0.4(10)
C6 C7 C8 C9 -0.8(10)
C5 N2 C9 C8 -1.1(7)
Ru1 N2 C9 C8 -177.3(4)
C7 C8 C9 N2 1.1(9)
C14 N3 C10 C11 1.5(6)
Ru1 N3 C10 C11 176.2(3)
C14 N3 C10 C4 178.3(4)
Ru1 N3 C10 C4 -7.0(5)
N1 C4 C10 N3 17.6(6)
N1 C4 C10 C11 -165.7(4)
N3 C10 C11 C12 -0.9(7)
C4 C10 C11 C12 -177.6(5)
C10 C11 C12 C13 -0.2(8)
C11 C12 C13 C14 0.9(7)
C10 N3 C14 C13 -0.8(6)
Ru1 N3 C14 C13 -174.9(3)
C12 C13 C14 N3 -0.4(7)
C18 N4 C15 C16 -58.4(5)
C17 N4 C15 C16 62.0(5)
Ru2 N4 C15 C16 -175.0(3)
C15 N4 C17 C19 118.0(4)
C18 N4 C17 C19 -120.7(4)
Ru2 N4 C17 C19 -8.6(5)
C15 N4 C18 C24 -167.7(4)
C17 N4 C18 C24 70.4(4)
Ru2 N4 C18 C24 -44.6(4)
C23 N5 C19 C20 -0.3(7)
Ru2 N5 C19 C20 179.3(4)
C23 N5 C19 C17 177.8(4)
Ru2 N5 C19 C17 -2.6(5)
N4 C17 C19 N5 7.8(6)
N4 C17 C19 C20 -174.0(4)
N5 C19 C20 C21 0.6(8)
C17 C19 C20 C21 -177.5(5)
C19 C20 C21 C22 -0.3(9)
C20 C21 C22 C23 -0.3(10)
C19 N5 C23 C22 -0.3(8)
Ru2 N5 C23 C22 -179.8(4)
C21 C22 C23 N5 0.6(9)
C28 N6 C24 C25 2.1(6)
Ru2 N6 C24 C25 173.1(4)
C28 N6 C24 C18 -174.1(4)
Ru2 N6 C24 C18 -3.1(5)
N4 C18 C24 N6 33.3(5)
N4 C18 C24 C25 -142.7(5)
N6 C24 C25 C26 -1.3(7)
C18 C24 C25 C26 174.5(5)
C24 C25 C26 C27 -0.2(8)
C25 C26 C27 C28 0.9(8)
C24 N6 C28 C27 -1.4(6)
Ru2 N6 C28 C27 -171.4(3)
C26 C27 C28 N6 -0.1(7)
