#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/30/4313035.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_4313035
loop_
_publ_author_name
'Karl M. Kadish'
'Li-Lun Wang'
'Antoine Thuriere'
'Eric Van Caemelbecke'
'John L. Bear'
_publ_section_title
;
 Factors Affecting the Electrochemical and Spectroelectrochemical
 Properties of Diruthenium(III,II) Complexes Containing Four Identical
 Unsymmetrical Bridging Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              834
_journal_page_last               843
_journal_paper_doi               10.1021/ic020590x
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         'C44 H28 N8 F8 Cl Ru2, 2 C H2 Cl2'
_chemical_formula_sum            'C46 H32 Cl5 F8 N8 Ru2'
_chemical_formula_weight         1228.19
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.471(1)
_cell_angle_beta                 91.858(1)
_cell_angle_gamma                93.460(1)
_cell_formula_units_Z            2
_cell_length_a                   10.9425(5)
_cell_length_b                   12.7472(6)
_cell_length_c                   17.3791(8)
_cell_measurement_reflns_used    6522
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      23.52
_cell_measurement_theta_min      1.62
_cell_volume                     2384.53(19)
_computing_cell_refinement       'Bruker SAINT software (Bruker, 1999)'
_computing_data_collection       'Siemens SMART software (Siemens, 1996)'
_computing_data_reduction        'Bruker SAINT software (Bruker, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      223(2)
_diffrn_detector_area_resol_mean 1K
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Siemens SMART CCD'
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0250
_diffrn_reflns_av_sigmaI/netI    0.0249
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            11017
_diffrn_reflns_theta_full        23.52
_diffrn_reflns_theta_max         23.52
_diffrn_reflns_theta_min         1.62
_diffrn_standards_decay_%        0.0
_exptl_absorpt_coefficient_mu    0.989
_exptl_absorpt_correction_T_max  0.9051
_exptl_absorpt_correction_T_min  0.6237
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'Very dark green'
_exptl_crystal_density_diffrn    1.711
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1218
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.264
_refine_diff_density_min         -1.042
_refine_diff_density_rms         0.085
_refine_ls_extinction_coef       0.00042(19)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     592
_refine_ls_number_reflns         7006
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0526
_refine_ls_R_factor_gt           0.0362
_refine_ls_shift/su_max          0.111
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0561P)²+6.8782P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0995
_refine_ls_wR_factor_ref         0.1112
_reflns_number_gt                5151
_reflns_number_total             7006
_reflns_threshold_expression     >4sigma(I)
_cod_data_source_file            ic020590x_3.cif
_cod_data_source_block           k767
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Empirical'
changed to 'empirical' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'C46 H32 N8 F8 Cl5 Ru2'
_cod_database_code               4313035
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.75661(4) 0.90602(3) 0.68509(2) 0.02835(13) Uani 1 1 d . . .
Ru2 Ru 0.74612(3) 0.76346(3) 0.74935(2) 0.02588(13) Uani 1 1 d . . .
Cl1 Cl 0.76815(14) 1.05887(10) 0.61515(8) 0.0447(3) Uani 1 1 d . . .
F1 F 0.3974(3) 0.6787(3) 0.6468(2) 0.0658(10) Uani 1 1 d . . .
F2 F 0.4314(4) 0.5171(4) 0.9155(3) 0.0978(15) Uani 1 1 d . . .
F3 F 0.8739(4) 0.5842(3) 0.5360(2) 0.0730(11) Uani 1 1 d . . .
F4 F 0.6580(4) 0.3139(3) 0.7093(2) 0.0743(11) Uani 1 1 d . . .
F5 F 1.1037(3) 0.8648(3) 0.8391(2) 0.0568(9) Uani 1 1 d . . .
F6 F 1.0203(4) 0.4472(3) 0.8589(3) 0.0831(12) Uani 1 1 d . . .
F7 F 0.6185(3) 0.9775(3) 0.9420(2) 0.0658(10) Uani 1 1 d . . .
F8 F 0.7892(4) 0.6336(3) 1.0450(2) 0.0671(10) Uani 1 1 d . . .
N1 N 0.5889(4) 0.9500(3) 0.7321(2) 0.0316(9) Uani 1 1 d . . .
N2 N 0.5633(4) 0.7805(3) 0.7633(2) 0.0338(9) Uani 1 1 d . . .
N3 N 0.6555(4) 0.8110(3) 0.5912(2) 0.0370(10) Uani 1 1 d . . .
N4 N 0.7083(4) 0.6650(3) 0.6444(2) 0.0334(9) Uani 1 1 d . . .
N5 N 0.9228(4) 0.8525(3) 0.6407(2) 0.0336(9) Uani 1 1 d . . .
N6 N 0.9285(3) 0.7457(3) 0.7360(2) 0.0300(9) Uani 1 1 d . . .
N7 N 0.8556(4) 0.9924(3) 0.7827(2) 0.0329(9) Uani 1 1 d . . .
N8 N 0.7858(4) 0.8635(3) 0.8526(2) 0.0306(9) Uani 1 1 d . . .
C1 C 0.5462(5) 1.0471(4) 0.7309(3) 0.0418(13) Uani 1 1 d . . .
H1 H 0.5995 1.1007 0.7168 0.050 Uiso 1 1 calc R . .
C2 C 0.4298(6) 1.0712(5) 0.7492(4) 0.0528(15) Uani 1 1 d . . .
H2 H 0.4037 1.1397 0.7473 0.063 Uiso 1 1 calc R . .
C3 C 0.3502(5) 0.9925(5) 0.7707(4) 0.0522(15) Uani 1 1 d . . .
H3 H 0.2688 1.0067 0.7821 0.063 Uiso 1 1 calc R . .
C4 C 0.3917(5) 0.8948(4) 0.7749(3) 0.0449(13) Uani 1 1 d . . .
H4 H 0.3390 0.8415 0.7900 0.054 Uiso 1 1 calc R . .
C5 C 0.5132(4) 0.8732(4) 0.7566(3) 0.0330(11) Uani 1 1 d . . .
C6 C 0.4868(4) 0.6904(4) 0.7728(3) 0.0384(12) Uani 1 1 d . . .
C7 C 0.4072(5) 0.6383(5) 0.7142(4) 0.0492(14) Uani 1 1 d . . .
C8 C 0.3369(5) 0.5459(5) 0.7198(5) 0.0633(19) Uani 1 1 d . . .
H8 H 0.2839 0.5121 0.6782 0.076 Uiso 1 1 calc R . .
C9 C 0.3475(6) 0.5046(5) 0.7891(5) 0.071(2) Uani 1 1 d . . .
H9 H 0.3014 0.4420 0.7950 0.085 Uiso 1 1 calc R . .
C10 C 0.4247(6) 0.5556(6) 0.8476(5) 0.0638(18) Uani 1 1 d . . .
C11 C 0.4936(5) 0.6477(5) 0.8422(4) 0.0515(15) Uani 1 1 d . . .
H11 H 0.5449 0.6818 0.8846 0.062 Uiso 1 1 calc R . .
C12 C 0.5887(6) 0.8529(5) 0.5374(3) 0.0526(15) Uani 1 1 d . . .
H12 H 0.5834 0.9272 0.5448 0.063 Uiso 1 1 calc R . .
C13 C 0.5295(7) 0.7932(6) 0.4739(4) 0.072(2) Uani 1 1 d . . .
H13 H 0.4828 0.8248 0.4387 0.086 Uiso 1 1 calc R . .
C14 C 0.5402(7) 0.6832(6) 0.4623(4) 0.074(2) Uani 1 1 d . . .
H14 H 0.5040 0.6400 0.4173 0.089 Uiso 1 1 calc R . .
C15 C 0.6029(6) 0.6382(5) 0.5160(3) 0.0540(16) Uani 1 1 d . . .
H15 H 0.6099 0.5641 0.5082 0.065 Uiso 1 1 calc R . .
C16 C 0.6574(5) 0.7032(4) 0.5837(3) 0.0382(12) Uani 1 1 d . . .
C17 C 0.7368(5) 0.5575(4) 0.6342(3) 0.0361(12) Uani 1 1 d . . .
C18 C 0.8201(6) 0.5172(4) 0.5800(4) 0.0504(15) Uani 1 1 d . . .
C19 C 0.8494(7) 0.4128(5) 0.5681(4) 0.071(2) Uani 1 1 d . . .
H19 H 0.9046 0.3886 0.5298 0.086 Uiso 1 1 calc R . .
C20 C 0.7969(7) 0.3433(5) 0.6131(4) 0.070(2) Uani 1 1 d . . .
H20 H 0.8166 0.2717 0.6069 0.084 Uiso 1 1 calc R . .
C21 C 0.7156(6) 0.3822(4) 0.6668(4) 0.0531(16) Uani 1 1 d . . .
C22 C 0.6844(5) 0.4870(4) 0.6789(3) 0.0423(13) Uani 1 1 d . . .
H22 H 0.6283 0.5103 0.7168 0.051 Uiso 1 1 calc R . .
C23 C 0.9736(6) 0.8868(4) 0.5786(3) 0.0456(14) Uani 1 1 d . . .
H23 H 0.9280 0.9290 0.5503 0.055 Uiso 1 1 calc R . .
C24 C 1.0890(6) 0.8630(5) 0.5550(4) 0.0581(17) Uani 1 1 d . . .
H24 H 1.1208 0.8881 0.5113 0.070 Uiso 1 1 calc R . .
C25 C 1.1574(6) 0.8019(5) 0.5960(4) 0.0562(16) Uani 1 1 d . . .
H25 H 1.2374 0.7869 0.5818 0.067 Uiso 1 1 calc R . .
C26 C 1.1074(5) 0.7632(5) 0.6576(3) 0.0443(13) Uani 1 1 d . . .
H26 H 1.1528 0.7207 0.6857 0.053 Uiso 1 1 calc R . .
C27 C 0.9875(4) 0.7874(4) 0.6790(3) 0.0323(11) Uani 1 1 d . . .
C28 C 0.9972(4) 0.7000(4) 0.7906(3) 0.0336(11) Uani 1 1 d . . .
C29 C 1.0827(5) 0.7601(4) 0.8437(3) 0.0399(13) Uani 1 1 d . . .
C30 C 1.1454(5) 0.7196(6) 0.9005(3) 0.0548(16) Uani 1 1 d . . .
H30 H 1.2022 0.7636 0.9350 0.066 Uiso 1 1 calc R . .
C31 C 1.1238(6) 0.6128(6) 0.9063(4) 0.0612(18) Uani 1 1 d . . .
H31 H 1.1657 0.5826 0.9445 0.073 Uiso 1 1 calc R . .
C32 C 1.0403(6) 0.5534(5) 0.8552(4) 0.0540(16) Uani 1 1 d . . .
C33 C 0.9770(5) 0.5921(4) 0.7970(3) 0.0428(13) Uani 1 1 d . . .
H33 H 0.9214 0.5470 0.7624 0.051 Uiso 1 1 calc R . .
C34 C 0.9297(5) 1.0809(4) 0.7789(3) 0.0461(14) Uani 1 1 d . . .
H34 H 0.9414 1.1007 0.7298 0.055 Uiso 1 1 calc R . .
C35 C 0.9878(6) 1.1422(5) 0.8430(4) 0.0587(17) Uani 1 1 d . . .
H35 H 1.0398 1.2019 0.8379 0.070 Uiso 1 1 calc R . .
C36 C 0.9685(6) 1.1145(5) 0.9159(3) 0.0549(16) Uani 1 1 d . . .
H36 H 1.0041 1.1576 0.9611 0.066 Uiso 1 1 calc R . .
C37 C 0.8980(5) 1.0249(4) 0.9217(3) 0.0430(13) Uani 1 1 d . . .
H37 H 0.8847 1.0061 0.9710 0.052 Uiso 1 1 calc R . .
C38 C 0.8446(4) 0.9599(4) 0.8538(3) 0.0313(11) Uani 1 1 d . . .
C39 C 0.7468(5) 0.8340(4) 0.9234(3) 0.0334(11) Uani 1 1 d . . .
C40 C 0.6609(5) 0.8901(5) 0.9673(3) 0.0457(14) Uani 1 1 d . . .
C41 C 0.6174(6) 0.8618(5) 1.0350(4) 0.0596(17) Uani 1 1 d . . .
H41 H 0.5601 0.9027 1.0634 0.072 Uiso 1 1 calc R . .
C42 C 0.6584(6) 0.7732(5) 1.0607(4) 0.0598(17) Uani 1 1 d . . .
H42 H 0.6288 0.7515 1.1062 0.072 Uiso 1 1 calc R . .
C43 C 0.7436(5) 0.7176(4) 1.0182(3) 0.0445(13) Uani 1 1 d . . .
C44 C 0.7879(5) 0.7452(4) 0.9505(3) 0.0363(12) Uani 1 1 d . . .
H44 H 0.8458 0.7042 0.9228 0.044 Uiso 1 1 calc R . .
C45 C 0.7788(5) 0.3290(4) 0.8754(7) 0.080(3) Uiso 0.641(9) 1 d PG A 1
H45A H 0.8528 0.3347 0.9074 0.096 Uiso 0.641(9) 1 d PG A 1
H45B H 0.8004 0.3127 0.8218 0.096 Uiso 0.641(9) 1 d PG A 1
Cl2 Cl 0.7116(5) 0.4514(3) 0.8904(3) 0.0950(7) Uiso 0.641(9) 1 d PG A 1
Cl3 Cl 0.6819(5) 0.2246(3) 0.8973(3) 0.0950(7) Uiso 0.641(9) 1 d PG A 1
C45' C 0.6212(6) 0.3617(9) 0.8926(12) 0.080(3) Uiso 0.359(9) 1 d PG A 2
H45C H 0.5787 0.3486 0.8424 0.096 Uiso 0.359(9) 1 d PG A 2
H45D H 0.5655 0.3919 0.9304 0.096 Uiso 0.359(9) 1 d PG A 2
Cl2' Cl 0.7462(8) 0.4534(6) 0.8906(6) 0.0950(7) Uiso 0.359(9) 1 d PG A 2
Cl3' Cl 0.6649(8) 0.2405(6) 0.9161(5) 0.0950(7) Uiso 0.359(9) 1 d PG A 2
C46 C 0.1383(12) 0.2508(4) 0.6086(2) 0.122(5) Uiso 0.75 1 d PG B 2
H46A H 0.2091 0.2859 0.5904 0.147 Uiso 0.75 1 d PG B 2
H46B H 0.0735 0.2460 0.5693 0.147 Uiso 0.75 1 d PG B 2
Cl4 Cl 0.0937(3) 0.3277(2) 0.69476(18) 0.0992(6) Uiso 0.75 1 d PG B 2
Cl5 Cl 0.1723(3) 0.1222(2) 0.62115(18) 0.0992(6) Uiso 0.75 1 d PG B 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
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
_geom_angle_publ_flag
N7 Ru1 N1 91.74(15) . . ?
N7 Ru1 N3 176.25(15) . . ?
N1 Ru1 N3 87.80(16) . . ?
N7 Ru1 N5 88.82(16) . . ?
N1 Ru1 N5 176.28(15) . . ?
N3 Ru1 N5 91.40(16) . . ?
N7 Ru1 Ru2 88.00(11) . . ?
N1 Ru1 Ru2 88.61(11) . . ?
N3 Ru1 Ru2 88.27(11) . . ?
N5 Ru1 Ru2 87.74(11) . . ?
N7 Ru1 Cl1 92.25(11) . . ?
N1 Ru1 Cl1 91.61(11) . . ?
N3 Ru1 Cl1 91.48(12) . . ?
N5 Ru1 Cl1 92.04(11) . . ?
Ru2 Ru1 Cl1 179.66(4) . . ?
N6 Ru2 N8 89.75(16) . . ?
N6 Ru2 N2 179.59(16) . . ?
N8 Ru2 N2 90.16(16) . . ?
N6 Ru2 N4 89.65(16) . . ?
N8 Ru2 N4 178.79(16) . . ?
N2 Ru2 N4 90.45(16) . . ?
N6 Ru2 Ru1 90.48(11) . . ?
N8 Ru2 Ru1 89.81(11) . . ?
N2 Ru2 Ru1 89.92(11) . . ?
N4 Ru2 Ru1 89.14(11) . . ?
C1 N1 C5 118.4(4) . . ?
C1 N1 Ru1 122.7(3) . . ?
C5 N1 Ru1 118.5(3) . . ?
C5 N2 C6 119.8(4) . . ?
C5 N2 Ru2 121.1(3) . . ?
C6 N2 Ru2 118.8(3) . . ?
C12 N3 C16 118.6(5) . . ?
C12 N3 Ru1 122.8(4) . . ?
C16 N3 Ru1 118.5(3) . . ?
C16 N4 C17 119.1(4) . . ?
C16 N4 Ru2 120.2(3) . . ?
C17 N4 Ru2 120.6(3) . . ?
C23 N5 C27 117.8(4) . . ?
C23 N5 Ru1 122.6(4) . . ?
C27 N5 Ru1 119.4(3) . . ?
C27 N6 C28 119.2(4) . . ?
C27 N6 Ru2 120.2(3) . . ?
C28 N6 Ru2 120.2(3) . . ?
C34 N7 C38 118.2(4) . . ?
C34 N7 Ru1 122.6(4) . . ?
C38 N7 Ru1 119.1(3) . . ?
C38 N8 C39 119.4(4) . . ?
C38 N8 Ru2 120.6(3) . . ?
C39 N8 Ru2 120.0(3) . . ?
N1 C1 C2 123.3(5) . . ?
C1 C2 C3 118.9(5) . . ?
C4 C3 C2 119.2(5) . . ?
C3 C4 C5 120.3(5) . . ?
N2 C5 N1 116.3(4) . . ?
N2 C5 C4 123.9(5) . . ?
N1 C5 C4 119.7(5) . . ?
C7 C6 C11 117.2(5) . . ?
C7 C6 N2 122.0(5) . . ?
C11 C6 N2 120.7(5) . . ?
F1 C7 C6 118.5(5) . . ?
F1 C7 C8 118.0(6) . . ?
C6 C7 C8 123.4(6) . . ?
C7 C8 C9 117.8(7) . . ?
C10 C9 C8 119.4(6) . . ?
F2 C10 C9 119.0(6) . . ?
F2 C10 C11 118.2(7) . . ?
C9 C10 C11 122.7(7) . . ?
C10 C11 C6 119.4(6) . . ?
C13 C12 N3 123.5(6) . . ?
C12 C13 C14 117.9(6) . . ?
C15 C14 C13 120.2(6) . . ?
C14 C15 C16 119.8(6) . . ?
N4 C16 N3 116.5(4) . . ?
N4 C16 C15 124.0(5) . . ?
N3 C16 C15 119.5(5) . . ?
C22 C17 C18 116.8(5) . . ?
C22 C17 N4 121.5(5) . . ?
C18 C17 N4 121.6(5) . . ?
F3 C18 C19 118.4(5) . . ?
F3 C18 C17 118.3(5) . . ?
C19 C18 C17 123.3(6) . . ?
C18 C19 C20 119.4(6) . . ?
C21 C20 C19 117.8(6) . . ?
C20 C21 F4 118.9(5) . . ?
C20 C21 C22 123.4(6) . . ?
F4 C21 C22 117.7(6) . . ?
C21 C22 C17 119.3(5) . . ?
N5 C23 C24 123.1(5) . . ?
C25 C24 C23 119.3(5) . . ?
C26 C25 C24 119.2(6) . . ?
C25 C26 C27 119.9(5) . . ?
N5 C27 N6 116.2(4) . . ?
N5 C27 C26 120.5(4) . . ?
N6 C27 C26 123.3(5) . . ?
C29 C28 C33 116.5(5) . . ?
C29 C28 N6 122.2(5) . . ?
C33 C28 N6 121.2(5) . . ?
F5 C29 C30 118.5(5) . . ?
F5 C29 C28 117.8(5) . . ?
C30 C29 C28 123.7(5) . . ?
C29 C30 C31 119.1(6) . . ?
C32 C31 C30 117.9(6) . . ?
C31 C32 F6 118.6(6) . . ?
C31 C32 C33 124.1(6) . . ?
F6 C32 C33 117.3(6) . . ?
C32 C33 C28 118.8(6) . . ?
N7 C34 C35 123.2(5) . . ?
C34 C35 C36 118.5(5) . . ?
C37 C36 C35 119.9(5) . . ?
C36 C37 C38 120.1(5) . . ?
N8 C38 N7 115.9(4) . . ?
N8 C38 C37 124.5(5) . . ?
N7 C38 C37 119.6(4) . . ?
C40 C39 C44 116.6(5) . . ?
C40 C39 N8 121.3(5) . . ?
C44 C39 N8 122.0(4) . . ?
F7 C40 C41 118.9(5) . . ?
F7 C40 C39 118.0(5) . . ?
C41 C40 C39 123.1(5) . . ?
C40 C41 C42 119.4(5) . . ?
C43 C42 C41 118.1(5) . . ?
F8 C43 C42 118.6(5) . . ?
F8 C43 C44 118.4(5) . . ?
C42 C43 C44 123.0(5) . . ?
C43 C44 C39 119.7(5) . . ?
Cl3 C45 Cl2 112.6 . . ?
Cl2' C45' Cl3' 112.6 . . ?
Cl5 C46 Cl4 112.6 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 N7 2.094(4) . ?
Ru1 N1 2.103(4) . ?
Ru1 N3 2.103(4) . ?
Ru1 N5 2.106(4) . ?
Ru1 Ru2 2.2833(5) . ?
Ru1 Cl1 2.4596(13) . ?
Ru2 N6 2.038(4) . ?
Ru2 N8 2.040(4) . ?
Ru2 N2 2.044(4) . ?
Ru2 N4 2.052(4) . ?
F1 C7 1.357(7) . ?
F2 C10 1.352(8) . ?
F3 C18 1.359(7) . ?
F4 C21 1.370(7) . ?
F5 C29 1.357(6) . ?
F6 C32 1.370(7) . ?
F7 C40 1.365(6) . ?
F8 C43 1.352(6) . ?
N1 C1 1.352(6) . ?
N1 C5 1.374(6) . ?
N2 C5 1.352(6) . ?
N2 C6 1.415(6) . ?
N3 C12 1.365(7) . ?
N3 C16 1.361(7) . ?
N4 C16 1.350(6) . ?
N4 C17 1.408(6) . ?
N5 C23 1.353(6) . ?
N5 C27 1.363(6) . ?
N6 C27 1.361(6) . ?
N6 C28 1.412(6) . ?
N7 C34 1.360(6) . ?
N7 C38 1.374(6) . ?
N8 C38 1.348(6) . ?
N8 C39 1.416(6) . ?
C1 C2 1.363(8) . ?
C2 C3 1.395(8) . ?
C3 C4 1.364(8) . ?
C4 C5 1.410(7) . ?
C6 C7 1.374(8) . ?
C6 C11 1.404(8) . ?
C7 C8 1.387(8) . ?
C8 C9 1.395(10) . ?
C9 C10 1.354(10) . ?
C10 C11 1.374(8) . ?
C12 C13 1.354(8) . ?
C13 C14 1.397(9) . ?
C14 C15 1.362(9) . ?
C15 C16 1.414(7) . ?
C17 C22 1.391(7) . ?
C17 C18 1.391(8) . ?
C18 C19 1.372(8) . ?
C19 C20 1.386(9) . ?
C20 C21 1.365(9) . ?
C21 C22 1.382(8) . ?
C23 C24 1.377(8) . ?
C24 C25 1.375(9) . ?
C25 C26 1.367(8) . ?
C26 C27 1.414(7) . ?
C28 C29 1.393(7) . ?
C28 C33 1.403(7) . ?
C29 C30 1.369(8) . ?
C30 C31 1.389(9) . ?
C31 C32 1.356(9) . ?
C32 C33 1.380(8) . ?
C34 C35 1.365(8) . ?
C35 C36 1.390(8) . ?
C36 C37 1.359(8) . ?
C37 C38 1.412(7) . ?
C39 C40 1.388(7) . ?
C39 C44 1.390(7) . ?
C40 C41 1.377(8) . ?
C41 C42 1.375(9) . ?
C42 C43 1.366(8) . ?
C43 C44 1.376(7) . ?
C45 Cl3 1.7499 . ?
C45 Cl2 1.7500 . ?
C45' Cl2' 1.7500 . ?
C45' Cl3' 1.7501 . ?
C46 Cl5 1.7499 . ?
C46 Cl4 1.7500 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N7 Ru1 Ru2 N6 -70.78(15) . . . . ?
N1 Ru1 Ru2 N6 -162.57(15) . . . . ?
N3 Ru1 Ru2 N6 109.59(16) . . . . ?
N5 Ru1 Ru2 N6 18.12(15) . . . . ?
Cl1 Ru1 Ru2 N6 68(7) . . . . ?
N7 Ru1 Ru2 N8 18.97(15) . . . . ?
N1 Ru1 Ru2 N8 -72.82(15) . . . . ?
N3 Ru1 Ru2 N8 -160.66(16) . . . . ?
N5 Ru1 Ru2 N8 107.87(16) . . . . ?
Cl1 Ru1 Ru2 N8 158(7) . . . . ?
N7 Ru1 Ru2 N2 109.13(16) . . . . ?
N1 Ru1 Ru2 N2 17.34(16) . . . . ?
N3 Ru1 Ru2 N2 -70.51(17) . . . . ?
N5 Ru1 Ru2 N2 -161.98(16) . . . . ?
Cl1 Ru1 Ru2 N2 -112(7) . . . . ?
N7 Ru1 Ru2 N4 -160.42(16) . . . . ?
N1 Ru1 Ru2 N4 107.79(15) . . . . ?
N3 Ru1 Ru2 N4 19.94(16) . . . . ?
N5 Ru1 Ru2 N4 -71.52(16) . . . . ?
Cl1 Ru1 Ru2 N4 -22(7) . . . . ?
N7 Ru1 N1 C1 77.8(4) . . . . ?
N3 Ru1 N1 C1 -106.0(4) . . . . ?
N5 Ru1 N1 C1 176(2) . . . . ?
Ru2 Ru1 N1 C1 165.7(4) . . . . ?
Cl1 Ru1 N1 C1 -14.5(4) . . . . ?
N7 Ru1 N1 C5 -110.0(4) . . . . ?
N3 Ru1 N1 C5 66.3(4) . . . . ?
N5 Ru1 N1 C5 -11(2) . . . . ?
Ru2 Ru1 N1 C5 -22.0(3) . . . . ?
Cl1 Ru1 N1 C5 157.7(3) . . . . ?
N6 Ru2 N2 C5 147(26) . . . . ?
N8 Ru2 N2 C5 70.6(4) . . . . ?
N4 Ru2 N2 C5 -108.4(4) . . . . ?
Ru1 Ru2 N2 C5 -19.2(4) . . . . ?
N6 Ru2 N2 C6 -39(26) . . . . ?
N8 Ru2 N2 C6 -115.4(4) . . . . ?
N4 Ru2 N2 C6 65.7(4) . . . . ?
Ru1 Ru2 N2 C6 154.8(4) . . . . ?
N7 Ru1 N3 C12 152(2) . . . . ?
N1 Ru1 N3 C12 68.6(5) . . . . ?
N5 Ru1 N3 C12 -115.1(5) . . . . ?
Ru2 Ru1 N3 C12 157.3(4) . . . . ?
Cl1 Ru1 N3 C12 -23.0(4) . . . . ?
N7 Ru1 N3 C16 -29(3) . . . . ?
N1 Ru1 N3 C16 -111.8(4) . . . . ?
N5 Ru1 N3 C16 64.6(4) . . . . ?
Ru2 Ru1 N3 C16 -23.1(4) . . . . ?
Cl1 Ru1 N3 C16 156.6(4) . . . . ?
N6 Ru2 N4 C16 -115.1(4) . . . . ?
N8 Ru2 N4 C16 -55(8) . . . . ?
N2 Ru2 N4 C16 65.3(4) . . . . ?
Ru1 Ru2 N4 C16 -24.6(4) . . . . ?
N6 Ru2 N4 C17 63.9(4) . . . . ?
N8 Ru2 N4 C17 124(8) . . . . ?
N2 Ru2 N4 C17 -115.7(4) . . . . ?
Ru1 Ru2 N4 C17 154.4(4) . . . . ?
N7 Ru1 N5 C23 -108.6(4) . . . . ?
N1 Ru1 N5 C23 153(2) . . . . ?
N3 Ru1 N5 C23 75.2(4) . . . . ?
Ru2 Ru1 N5 C23 163.4(4) . . . . ?
Cl1 Ru1 N5 C23 -16.4(4) . . . . ?
N7 Ru1 N5 C27 66.0(4) . . . . ?
N1 Ru1 N5 C27 -33(2) . . . . ?
N3 Ru1 N5 C27 -110.2(4) . . . . ?
Ru2 Ru1 N5 C27 -22.0(3) . . . . ?
Cl1 Ru1 N5 C27 158.2(3) . . . . ?
N8 Ru2 N6 C27 -111.0(4) . . . . ?
N2 Ru2 N6 C27 172(100) . . . . ?
N4 Ru2 N6 C27 67.9(4) . . . . ?
Ru1 Ru2 N6 C27 -21.2(3) . . . . ?
N8 Ru2 N6 C28 62.5(4) . . . . ?
N2 Ru2 N6 C28 -14(26) . . . . ?
N4 Ru2 N6 C28 -118.6(4) . . . . ?
Ru1 Ru2 N6 C28 152.3(3) . . . . ?
N1 Ru1 N7 C34 -112.9(4) . . . . ?
N3 Ru1 N7 C34 164(2) . . . . ?
N5 Ru1 N7 C34 70.8(4) . . . . ?
Ru2 Ru1 N7 C34 158.6(4) . . . . ?
Cl1 Ru1 N7 C34 -21.2(4) . . . . ?
N1 Ru1 N7 C38 66.2(4) . . . . ?
N3 Ru1 N7 C38 -17(3) . . . . ?
N5 Ru1 N7 C38 -110.1(4) . . . . ?
Ru2 Ru1 N7 C38 -22.4(3) . . . . ?
Cl1 Ru1 N7 C38 157.9(3) . . . . ?
N6 Ru2 N8 C38 67.5(4) . . . . ?
N2 Ru2 N8 C38 -112.9(4) . . . . ?
N4 Ru2 N8 C38 7(8) . . . . ?
Ru1 Ru2 N8 C38 -23.0(4) . . . . ?
N6 Ru2 N8 C39 -115.4(4) . . . . ?
N2 Ru2 N8 C39 64.2(4) . . . . ?
N4 Ru2 N8 C39 -176(49) . . . . ?
Ru1 Ru2 N8 C39 154.1(3) . . . . ?
C5 N1 C1 C2 -3.4(8) . . . . ?
Ru1 N1 C1 C2 168.9(4) . . . . ?
N1 C1 C2 C3 0.4(9) . . . . ?
C1 C2 C3 C4 1.7(9) . . . . ?
C2 C3 C4 C5 -0.9(9) . . . . ?
C6 N2 C5 N1 -167.3(4) . . . . ?
Ru2 N2 C5 N1 6.7(6) . . . . ?
C6 N2 C5 C4 14.1(7) . . . . ?
Ru2 N2 C5 C4 -171.9(4) . . . . ?
C1 N1 C5 N2 -174.4(4) . . . . ?
Ru1 N1 C5 N2 13.0(6) . . . . ?
C1 N1 C5 C4 4.2(7) . . . . ?
Ru1 N1 C5 C4 -168.4(4) . . . . ?
C3 C4 C5 N2 176.4(5) . . . . ?
C3 C4 C5 N1 -2.1(8) . . . . ?
C5 N2 C6 C7 68.3(7) . . . . ?
Ru2 N2 C6 C7 -105.8(5) . . . . ?
C5 N2 C6 C11 -114.6(6) . . . . ?
Ru2 N2 C6 C11 71.3(6) . . . . ?
C11 C6 C7 F1 179.1(5) . . . . ?
N2 C6 C7 F1 -3.8(8) . . . . ?
C11 C6 C7 C8 -1.5(9) . . . . ?
N2 C6 C7 C8 175.7(5) . . . . ?
F1 C7 C8 C9 179.9(5) . . . . ?
C6 C7 C8 C9 0.5(9) . . . . ?
C7 C8 C9 C10 0.1(10) . . . . ?
C8 C9 C10 F2 177.9(6) . . . . ?
C8 C9 C10 C11 0.4(11) . . . . ?
F2 C10 C11 C6 -178.9(5) . . . . ?
C9 C10 C11 C6 -1.5(10) . . . . ?
C7 C6 C11 C10 2.0(8) . . . . ?
N2 C6 C11 C10 -175.3(5) . . . . ?
C16 N3 C12 C13 -4.0(9) . . . . ?
Ru1 N3 C12 C13 175.6(6) . . . . ?
N3 C12 C13 C14 -1.5(12) . . . . ?
C12 C13 C14 C15 3.5(12) . . . . ?
C13 C14 C15 C16 -0.1(11) . . . . ?
C17 N4 C16 N3 -166.6(4) . . . . ?
Ru2 N4 C16 N3 12.3(6) . . . . ?
C17 N4 C16 C15 16.1(8) . . . . ?
Ru2 N4 C16 C15 -165.0(5) . . . . ?
C12 N3 C16 N4 -170.0(5) . . . . ?
Ru1 N3 C16 N4 10.4(6) . . . . ?
C12 N3 C16 C15 7.4(8) . . . . ?
Ru1 N3 C16 C15 -172.2(4) . . . . ?
C14 C15 C16 N4 171.7(6) . . . . ?
C14 C15 C16 N3 -5.5(9) . . . . ?
C16 N4 C17 C22 -119.8(6) . . . . ?
Ru2 N4 C17 C22 61.2(6) . . . . ?
C16 N4 C17 C18 61.3(7) . . . . ?
Ru2 N4 C17 C18 -117.7(5) . . . . ?
C22 C17 C18 F3 -179.4(5) . . . . ?
N4 C17 C18 F3 -0.5(8) . . . . ?
C22 C17 C18 C19 1.6(9) . . . . ?
N4 C17 C18 C19 -179.5(6) . . . . ?
F3 C18 C19 C20 179.2(6) . . . . ?
C17 C18 C19 C20 -1.8(11) . . . . ?
C18 C19 C20 C21 1.3(12) . . . . ?
C19 C20 C21 F4 176.9(6) . . . . ?
C19 C20 C21 C22 -0.7(11) . . . . ?
C20 C21 C22 C17 0.5(10) . . . . ?
F4 C21 C22 C17 -177.1(5) . . . . ?
C18 C17 C22 C21 -0.9(8) . . . . ?
N4 C17 C22 C21 -179.8(5) . . . . ?
C27 N5 C23 C24 -3.0(8) . . . . ?
Ru1 N5 C23 C24 171.7(5) . . . . ?
N5 C23 C24 C25 -0.3(10) . . . . ?
C23 C24 C25 C26 2.2(10) . . . . ?
C24 C25 C26 C27 -0.8(9) . . . . ?
C23 N5 C27 N6 -173.5(4) . . . . ?
Ru1 N5 C27 N6 11.6(6) . . . . ?
C23 N5 C27 C26 4.4(7) . . . . ?
Ru1 N5 C27 C26 -170.4(4) . . . . ?
C28 N6 C27 N5 -164.5(4) . . . . ?
Ru2 N6 C27 N5 9.0(6) . . . . ?
C28 N6 C27 C26 17.6(7) . . . . ?
Ru2 N6 C27 C26 -168.9(4) . . . . ?
C25 C26 C27 N5 -2.6(8) . . . . ?
C25 C26 C27 N6 175.2(5) . . . . ?
C27 N6 C28 C29 65.3(6) . . . . ?
Ru2 N6 C28 C29 -108.2(5) . . . . ?
C27 N6 C28 C33 -118.6(5) . . . . ?
Ru2 N6 C28 C33 67.9(5) . . . . ?
C33 C28 C29 F5 -179.7(4) . . . . ?
N6 C28 C29 F5 -3.5(7) . . . . ?
C33 C28 C29 C30 -0.4(8) . . . . ?
N6 C28 C29 C30 175.9(5) . . . . ?
F5 C29 C30 C31 179.3(5) . . . . ?
C28 C29 C30 C31 0.0(9) . . . . ?
C29 C30 C31 C32 -0.3(9) . . . . ?
C30 C31 C32 F6 178.3(5) . . . . ?
C30 C31 C32 C33 1.0(10) . . . . ?
C31 C32 C33 C28 -1.4(9) . . . . ?
F6 C32 C33 C28 -178.7(5) . . . . ?
C29 C28 C33 C32 1.0(8) . . . . ?
N6 C28 C33 C32 -175.3(5) . . . . ?
C38 N7 C34 C35 -3.9(8) . . . . ?
Ru1 N7 C34 C35 175.2(5) . . . . ?
N7 C34 C35 C36 -1.4(10) . . . . ?
C34 C35 C36 C37 3.3(10) . . . . ?
C35 C36 C37 C38 0.1(9) . . . . ?
C39 N8 C38 N7 -166.2(4) . . . . ?
Ru2 N8 C38 N7 10.9(6) . . . . ?
C39 N8 C38 C37 16.5(7) . . . . ?
Ru2 N8 C38 C37 -166.4(4) . . . . ?
C34 N7 C38 N8 -170.1(5) . . . . ?
Ru1 N7 C38 N8 10.8(6) . . . . ?
C34 N7 C38 C37 7.3(7) . . . . ?
Ru1 N7 C38 C37 -171.8(4) . . . . ?
C36 C37 C38 N8 171.7(5) . . . . ?
C36 C37 C38 N7 -5.5(8) . . . . ?
C38 N8 C39 C40 62.8(7) . . . . ?
Ru2 N8 C39 C40 -114.4(5) . . . . ?
C38 N8 C39 C44 -120.1(5) . . . . ?
Ru2 N8 C39 C44 62.7(6) . . . . ?
C44 C39 C40 F7 -179.8(5) . . . . ?
N8 C39 C40 F7 -2.6(8) . . . . ?
C44 C39 C40 C41 0.5(9) . . . . ?
N8 C39 C40 C41 177.7(6) . . . . ?
F7 C40 C41 C42 179.3(6) . . . . ?
C39 C40 C41 C42 -1.0(10) . . . . ?
C40 C41 C42 C43 1.3(10) . . . . ?
C41 C42 C43 F8 176.7(6) . . . . ?
C41 C42 C43 C44 -1.3(10) . . . . ?
F8 C43 C44 C39 -177.2(5) . . . . ?
C42 C43 C44 C39 0.8(9) . . . . ?
C40 C39 C44 C43 -0.4(8) . . . . ?
N8 C39 C44 C43 -177.6(5) . . . . ?
