#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/14/4311464.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_4311464
loop_
_publ_author_name
'Karl M. Kadish'
'Tuan D. Phan'
'Li-Lun Wang'
'Lingamallu Giribabu'
'Antoine Thuriere'
'Julien Wellhoff'
'Shurong Huang'
'Eric Van Caemelbecke'
'John L. Bear'
_publ_section_title
;
 Synthesis, Structural, Spectroscopic, and Electrochemical
 Characterization of High Oxidation State Diruthenium Complexes Containing
 Four Identical Unsymmetrical Bridging Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4825
_journal_page_last               4832
_journal_paper_doi               10.1021/ic0499594
_journal_volume                  43
_journal_year                    2004
_chemical_formula_moiety         'C60 H42 N8 F4 Ru2, C H2 Cl2'
_chemical_formula_sum            'C61 H44 Cl2 F4 N8 Ru2'
_chemical_formula_weight         1238.08
_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                110.649(1)
_cell_angle_beta                 97.758(1)
_cell_angle_gamma                103.353(1)
_cell_formula_units_Z            2
_cell_length_a                   12.0286(7)
_cell_length_b                   14.4427(9)
_cell_length_c                   17.7049(11)
_cell_measurement_reflns_used    4332
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      23.50
_cell_measurement_theta_min      1.93
_cell_volume                     2720.1(3)
_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 0.982
_diffrn_measured_fraction_theta_max 0.982
_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  0.031
_diffrn_reflns_av_sigmaI/netI    0.0177
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            12495
_diffrn_reflns_theta_full        23.50
_diffrn_reflns_theta_max         23.50
_diffrn_reflns_theta_min         1.93
_diffrn_standards_decay_%        0.0
_exptl_absorpt_coefficient_mu    0.715
_exptl_absorpt_correction_T_max  0.7891
_exptl_absorpt_correction_T_min  0.4740
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'Extremely dark blue'
_exptl_crystal_density_diffrn    1.512
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1248
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.047
_refine_diff_density_min         -1.267
_refine_diff_density_rms         0.110
_refine_ls_extinction_coef       0.0005(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     741
_refine_ls_number_reflns         7911
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.112
_refine_ls_R_factor_all          0.0548
_refine_ls_R_factor_gt           0.0457
_refine_ls_shift/su_max          0.382
_refine_ls_shift/su_mean         0.015
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0935P)²+4.0746P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1297
_refine_ls_wR_factor_ref         0.1489
_reflns_number_gt                6295
_reflns_number_total             7919
_reflns_threshold_expression     >4sigma(I)
_cod_data_source_file            ic0499594si20040106_022109.cif
_cod_data_source_block           k562
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Empirical' changed to
'empirical' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C61 H44 N8 Cl2 F4 Ru2'
_cod_database_code               4311464
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 0.94191(3) 0.73904(3) 0.26171(2) 0.03553(16) Uani 1 1 d . . .
Ru2 Ru 0.78966(3) 0.59285(3) 0.26367(2) 0.03119(16) Uani 1 1 d . . .
F1 F 1.0899(3) 0.4851(3) 0.3129(3) 0.0606(11) Uani 0.80 1 d P A 1
F1' F 0.7086(14) 0.3107(14) 0.1573(8) 0.072(5) Uiso 0.20 1 d PD A 2
F2 F 0.8508(3) 0.7820(3) 0.5228(2) 0.0750(11) Uani 1 1 d . . .
F3 F 0.5602(3) 0.7296(3) 0.1811(2) 0.0651(9) Uani 1 1 d . . .
F4 F 1.0021(4) 0.7952(4) 0.0697(3) 0.0985(15) Uani 1 1 d . . .
N1 N 0.9956(3) 0.6169(3) 0.1835(2) 0.0386(10) Uani 1 1 d . . .
N2 N 0.8854(3) 0.4967(3) 0.2264(2) 0.0370(9) Uani 1 1 d . . .
N3 N 1.0315(3) 0.7142(3) 0.3668(2) 0.0397(10) Uani 1 1 d . . .
N4 N 0.8544(3) 0.6216(3) 0.3818(2) 0.0390(9) Uani 1 1 d . . .
N5 N 0.8808(3) 0.8463(3) 0.3390(2) 0.0405(10) Uani 1 1 d . . .
N6 N 0.7075(3) 0.7107(3) 0.3035(2) 0.0330(9) Uani 1 1 d . . .
N7 N 0.7400(3) 0.5735(3) 0.1355(2) 0.0315(8) Uani 1 1 d . . .
N8 N 0.8483(3) 0.7430(3) 0.1627(2) 0.0371(9) Uani 1 1 d . . .
C1 C 1.0693(4) 0.6377(4) 0.1352(3) 0.0432(12) Uani 1 1 d . . .
H1 H 1.0915 0.7051 0.1363 0.052 Uiso 1 1 calc R . .
C2 C 1.1125(4) 0.5643(5) 0.0852(3) 0.0491(14) Uani 1 1 d . . .
H2 H 1.1629 0.5815 0.0528 0.059 Uiso 1 1 calc R . .
C3 C 1.0809(5) 0.4644(5) 0.0832(3) 0.0511(14) Uani 1 1 d . . .
H3 H 1.1094 0.4132 0.0494 0.061 Uiso 1 1 calc R . .
C4 C 1.0076(4) 0.4420(5) 0.1312(3) 0.0456(13) Uani 1 1 d . . .
H4 H 0.9865 0.3749 0.1309 0.055 Uiso 1 1 calc R . .
C5 C 0.9632(4) 0.5181(4) 0.1813(3) 0.0363(11) Uani 1 1 d . . .
C6 C 0.8859(4) 0.4121(4) 0.2493(3) 0.0404(12) Uani 1 1 d . A .
C7 C 0.9884(6) 0.4102(5) 0.2953(3) 0.0561(15) Uani 1 1 d . . .
H7 H 1.0579 0.4656 0.3099 0.067 Uiso 0.20 1 d P B 2
C8 C 0.9918(7) 0.3297(6) 0.3193(4) 0.0677(18) Uani 1 1 d . A .
H8 H 1.0624 0.3303 0.3498 0.081 Uiso 1 1 calc R . .
C9 C 0.8923(7) 0.2492(6) 0.2986(4) 0.0693(19) Uani 1 1 d . . .
H9 H 0.8951 0.1940 0.3146 0.083 Uiso 1 1 calc R A .
C10 C 0.7878(7) 0.2475(5) 0.2548(4) 0.0680(18) Uani 1 1 d . A .
H10 H 0.7187 0.1931 0.2423 0.082 Uiso 1 1 calc R . .
C11 C 0.7869(5) 0.3297(5) 0.2290(4) 0.0566(15) Uani 1 1 d D . .
H11 H 0.7173 0.3278 0.1964 0.060 Uiso 0.80 1 d P C 1
C12 C 1.1513(4) 0.7487(4) 0.3908(3) 0.0465(13) Uani 1 1 d . . .
H12 H 1.1926 0.7806 0.3607 0.056 Uiso 1 1 calc R . .
C13 C 1.2148(5) 0.7392(5) 0.4570(3) 0.0541(15) Uani 1 1 d . . .
H13 H 1.2974 0.7637 0.4708 0.065 Uiso 1 1 calc R . .
C14 C 1.1569(5) 0.6938(5) 0.5027(3) 0.0599(17) Uani 1 1 d . . .
H14 H 1.1989 0.6880 0.5487 0.072 Uiso 1 1 calc R . .
C15 C 1.0362(5) 0.6572(5) 0.4797(3) 0.0551(15) Uani 1 1 d . . .
H15 H 0.9947 0.6262 0.5103 0.066 Uiso 1 1 calc R . .
C16 C 0.9740(4) 0.6661(4) 0.4096(3) 0.0402(12) Uani 1 1 d . . .
C17 C 0.7894(4) 0.6040(4) 0.4390(3) 0.0432(12) Uani 1 1 d . . .
C18 C 0.7868(5) 0.6848(5) 0.5089(3) 0.0519(14) Uani 1 1 d . . .
C19 C 0.7220(6) 0.6718(7) 0.5652(4) 0.0689(19) Uani 1 1 d . . .
H19 H 0.7220 0.7292 0.6116 0.083 Uiso 1 1 calc R . .
C20 C 0.6576(6) 0.5732(7) 0.5518(4) 0.079(2) Uani 1 1 d . . .
H20 H 0.6148 0.5626 0.5902 0.095 Uiso 1 1 calc R . .
C21 C 0.6557(6) 0.4904(6) 0.4827(5) 0.0731(19) Uani 1 1 d . . .
H21 H 0.6097 0.4233 0.4729 0.088 Uiso 1 1 calc R . .
C22 C 0.7219(5) 0.5055(5) 0.4265(4) 0.0568(15) Uani 1 1 d . . .
H22 H 0.7208 0.4480 0.3796 0.068 Uiso 1 1 calc R . .
C23 C 0.9425(5) 0.9481(4) 0.3808(3) 0.0538(14) Uani 1 1 d . . .
H23 H 1.0218 0.9693 0.3792 0.065 Uiso 1 1 calc R . .
C24 C 0.8958(6) 1.0217(5) 0.4251(4) 0.0704(19) Uani 1 1 d . . .
H24 H 0.9412 1.0916 0.4531 0.084 Uiso 1 1 calc R . .
C25 C 0.7780(6) 0.9890(5) 0.4274(4) 0.0695(19) Uani 1 1 d . . .
H25 H 0.7431 1.0374 0.4575 0.083 Uiso 1 1 calc R . .
C26 C 0.7138(5) 0.8880(4) 0.3864(4) 0.0523(14) Uani 1 1 d . . .
H26 H 0.6342 0.8672 0.3876 0.063 Uiso 1 1 calc R . .
C27 C 0.7649(4) 0.8132(4) 0.3417(3) 0.0377(11) Uani 1 1 d . . .
C28 C 0.5829(4) 0.6863(4) 0.2970(3) 0.0345(10) Uani 1 1 d . . .
C29 C 0.5107(4) 0.6950(4) 0.2341(3) 0.0377(11) Uani 1 1 d . . .
C30 C 0.3905(4) 0.6726(4) 0.2231(3) 0.0473(13) Uani 1 1 d . . .
H30 H 0.3447 0.6794 0.1791 0.057 Uiso 1 1 calc R . .
C31 C 0.3389(5) 0.6401(4) 0.2778(4) 0.0503(14) Uani 1 1 d . . .
H31 H 0.2571 0.6244 0.2718 0.060 Uiso 1 1 calc R . .
C32 C 0.4090(5) 0.6307(5) 0.3421(4) 0.0535(14) Uani 1 1 d . . .
H32 H 0.3742 0.6085 0.3797 0.064 Uiso 1 1 calc R . .
C33 C 0.5294(5) 0.6535(4) 0.3515(3) 0.0466(13) Uani 1 1 d . . .
H33 H 0.5755 0.6467 0.3954 0.056 Uiso 1 1 calc R . .
C34 C 0.6737(4) 0.4790(4) 0.0786(3) 0.0325(10) Uani 1 1 d . . .
H34 H 0.6605 0.4231 0.0951 0.039 Uiso 1 1 calc R . .
C35 C 0.6246(4) 0.4600(4) -0.0021(3) 0.0379(11) Uani 1 1 d . . .
H35 H 0.5814 0.3924 -0.0401 0.046 Uiso 1 1 calc R . .
C36 C 0.6401(4) 0.5433(4) -0.0265(3) 0.0405(12) Uani 1 1 d . . .
H36 H 0.6027 0.5334 -0.0801 0.049 Uiso 1 1 calc R . .
C37 C 0.7102(4) 0.6393(4) 0.0285(3) 0.0369(11) Uani 1 1 d . . .
H37 H 0.7213 0.6959 0.0127 0.044 Uiso 1 1 calc R . .
C38 C 0.7663(4) 0.6537(4) 0.1093(3) 0.0337(10) Uani 1 1 d . . .
C39 C 0.8617(5) 0.8339(4) 0.1449(3) 0.0458(12) Uani 1 1 d . . .
C40 C 0.9407(6) 0.8595(5) 0.1013(4) 0.0627(16) Uani 1 1 d . . .
C41 C 0.9588(8) 0.9501(6) 0.0883(6) 0.090(2) Uani 1 1 d . . .
H41 H 1.0169 0.9679 0.0611 0.108 Uiso 1 1 calc R . .
C42 C 0.8916(9) 1.0137(6) 0.1155(6) 0.101(3) Uani 1 1 d . . .
H42 H 0.9021 1.0750 0.1064 0.121 Uiso 1 1 calc R . .
C43 C 0.8091(8) 0.9873(5) 0.1561(6) 0.094(3) Uani 1 1 d . . .
H43 H 0.7617 1.0303 0.1736 0.113 Uiso 1 1 calc R . .
C44 C 0.7936(6) 0.8987(4) 0.1721(4) 0.0661(17) Uani 1 1 d . . .
H44 H 0.7372 0.8826 0.2011 0.079 Uiso 1 1 calc R . .
C45 C 1.0959(5) 0.8418(4) 0.2758(3) 0.0499(13) Uani 1 1 d . D .
C46 C 1.1889(5) 0.9034(5) 0.2859(4) 0.0564(15) Uani 1 1 d . . .
C47 C 1.3074(4) 0.9715(5) 0.3126(5) 0.053(3) Uani 0.60 1 d PG D 1
C48 C 1.3885(6) 0.9461(4) 0.2654(4) 0.058(2) Uani 0.60 1 d PG D 1
H48 H 1.3667 0.8830 0.2188 0.070 Uiso 0.60 1 d PG D 1
C49 C 1.5018(5) 1.0145(6) 0.2877(5) 0.070(3) Uani 0.60 1 d PG D 1
H49 H 1.5563 0.9974 0.2559 0.085 Uiso 0.60 1 d PG D 1
C50 C 1.5340(5) 1.1084(6) 0.3570(5) 0.083(4) Uani 0.60 1 d PG D 1
H50 H 1.6103 1.1544 0.3720 0.099 Uiso 0.60 1 d PG D 1
C51 C 1.4529(6) 1.1338(5) 0.4041(4) 0.083(4) Uani 0.60 1 d PG D 1
H51 H 1.4747 1.1969 0.4508 0.099 Uiso 0.60 1 d PG D 1
C52 C 1.3397(5) 1.0654(5) 0.3819(4) 0.069(3) Uani 0.60 1 d PG D 1
H52 H 1.2851 1.0825 0.4136 0.082 Uiso 0.60 1 d PG D 1
C47' C 1.2936(10) 0.9837(7) 0.2905(7) 0.043(5) Uiso 0.40 1 d PG D 2
C48' C 1.2912(8) 1.0658(8) 0.2668(6) 0.051(3) Uiso 0.40 1 d PG D 2
H48' H 1.2190 1.0705 0.2429 0.061 Uiso 0.40 1 d PG D 2
C49' C 1.3958(10) 1.1412(7) 0.2786(7) 0.069(4) Uiso 0.40 1 d PG D 2
H49' H 1.3941 1.1965 0.2627 0.083 Uiso 0.40 1 d PG D 2
C50' C 1.5029(8) 1.1343(10) 0.3141(9) 0.094(6) Uiso 0.40 1 d PG D 2
H50' H 1.5734 1.1850 0.3221 0.113 Uiso 0.40 1 d PG D 2
C51' C 1.5054(9) 1.0522(12) 0.3378(10) 0.091(8) Uiso 0.40 1 d PG D 2
H51' H 1.5775 1.0475 0.3617 0.110 Uiso 0.40 1 d PG D 2
C52' C 1.4007(12) 0.9769(9) 0.3260(9) 0.092(6) Uiso 0.40 1 d PG D 2
H52' H 1.4024 0.9215 0.3419 0.110 Uiso 0.40 1 d PG D 2
C53 C 0.6302(4) 0.4945(4) 0.2399(3) 0.0331(10) Uani 1 1 d . E .
C54 C 0.5371(4) 0.4294(4) 0.2217(3) 0.0414(12) Uani 1 1 d . . .
C55 C 0.4292(8) 0.3471(5) 0.2154(6) 0.042(3) Uani 0.55 1 d PG E 1
C56 C 0.3193(10) 0.3584(7) 0.1917(7) 0.042(4) Uani 0.55 1 d PG E 1
H56 H 0.3142 0.4177 0.1826 0.051 Uiso 0.55 1 d PG E 1
C57 C 0.2170(7) 0.2815(9) 0.1815(6) 0.073(12) Uani 0.55 1 d PG E 1
H57 H 0.1430 0.2891 0.1656 0.087 Uiso 0.55 1 d PG E 1
C58 C 0.2246(6) 0.1934(7) 0.1950(5) 0.070(3) Uani 0.55 1 d PG E 1
H58 H 0.1557 0.1416 0.1881 0.084 Uiso 0.55 1 d PG E 1
C59 C 0.3346(7) 0.1821(5) 0.2187(5) 0.067(3) Uani 0.55 1 d PG E 1
H59 H 0.3397 0.1227 0.2277 0.081 Uiso 0.55 1 d PG E 1
C60 C 0.4369(5) 0.2590(6) 0.2288(5) 0.056(3) Uani 0.55 1 d PG E 1
H60 H 0.5109 0.2514 0.2448 0.068 Uiso 0.55 1 d PG E 1
C55' C 0.4286(8) 0.3484(6) 0.1828(6) 0.040(4) Uani 0.45 1 d PG E 2
C56' C 0.3311(10) 0.3608(7) 0.2155(6) 0.041(4) Uani 0.45 1 d PG E 2
H56' H 0.3377 0.4220 0.2609 0.050 Uiso 0.45 1 d PG E 2
C57' C 0.2240(8) 0.2821(9) 0.1809(8) 0.062(12) Uani 0.45 1 d PG E 2
H57' H 0.1583 0.2904 0.2029 0.074 Uiso 0.45 1 d PG E 2
C58' C 0.2143(7) 0.1911(7) 0.1136(7) 0.078(5) Uani 0.45 1 d PG E 2
H58' H 0.1421 0.1381 0.0902 0.094 Uiso 0.45 1 d PG E 2
C59' C 0.3118(8) 0.1787(6) 0.0808(5) 0.065(4) Uani 0.45 1 d PG E 2
H59' H 0.3052 0.1174 0.0355 0.078 Uiso 0.45 1 d PG E 2
C60' C 0.4189(7) 0.2573(7) 0.1155(5) 0.049(3) Uani 0.45 1 d PG E 2
H60' H 0.4846 0.2490 0.0934 0.059 Uiso 0.45 1 d PG E 2
C61 C 1.418(2) 0.866(3) 0.088(2) 0.100 Uiso 0.20 1 d PD F 1
Cl1 Cl 1.4849(19) 0.9598(17) 0.0535(13) 0.174(7) Uani 0.20 1 d PD F 1
Cl2 Cl 1.2743(18) 0.8047(15) 0.0271(11) 0.131(6) Uani 0.20 1 d PD F 1
C61' C 1.330(2) 0.790(3) 0.054(3) 0.100 Uiso 0.20 1 d PD G 2
Cl1' Cl 1.4755(16) 0.8640(17) 0.0733(12) 0.159(6) Uani 0.20 1 d PD G 2
Cl2' Cl 1.2492(18) 0.838(2) -0.0039(13) 0.173(9) Uani 0.20 1 d PD G 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
N8 Ru1 C45 100.0(2) . . ?
N8 Ru1 N5 91.50(16) . . ?
C45 Ru1 N5 94.26(19) . . ?
N8 Ru1 N1 89.83(15) . . ?
C45 Ru1 N1 90.39(19) . . ?
N5 Ru1 N1 174.87(17) . . ?
N8 Ru1 N3 172.66(15) . . ?
C45 Ru1 N3 86.5(2) . . ?
N5 Ru1 N3 91.38(15) . . ?
N1 Ru1 N3 86.73(14) . . ?
N8 Ru1 Ru2 94.43(11) . . ?
C45 Ru1 Ru2 163.78(17) . . ?
N5 Ru1 Ru2 92.73(12) . . ?
N1 Ru1 Ru2 82.23(11) . . ?
N3 Ru1 Ru2 78.69(11) . . ?
N4 Ru2 C53 102.09(18) . . ?
N4 Ru2 N2 90.79(16) . . ?
C53 Ru2 N2 102.14(17) . . ?
N4 Ru2 N6 89.36(15) . . ?
C53 Ru2 N6 85.34(16) . . ?
N2 Ru2 N6 172.30(15) . . ?
N4 Ru2 N7 172.91(15) . . ?
C53 Ru2 N7 85.00(16) . . ?
N2 Ru2 N7 87.33(15) . . ?
N6 Ru2 N7 91.59(14) . . ?
N4 Ru2 Ru1 94.55(12) . . ?
C53 Ru2 Ru1 158.17(13) . . ?
N2 Ru2 Ru1 91.55(12) . . ?
N6 Ru2 Ru1 80.77(11) . . ?
N7 Ru2 Ru1 78.68(10) . . ?
C1 N1 C5 118.2(4) . . ?
C1 N1 Ru1 118.9(4) . . ?
C5 N1 Ru1 122.9(3) . . ?
C5 N2 C6 116.9(4) . . ?
C5 N2 Ru2 118.1(3) . . ?
C6 N2 Ru2 124.8(3) . . ?
C16 N3 C12 117.3(4) . . ?
C16 N3 Ru1 123.5(3) . . ?
C12 N3 Ru1 119.2(4) . . ?
C16 N4 C17 118.2(4) . . ?
C16 N4 Ru2 115.2(3) . . ?
C17 N4 Ru2 126.6(3) . . ?
C23 N5 C27 119.2(4) . . ?
C23 N5 Ru1 124.3(4) . . ?
C27 N5 Ru1 116.2(3) . . ?
C27 N6 C28 113.6(4) . . ?
C27 N6 Ru2 124.8(3) . . ?
C28 N6 Ru2 121.5(3) . . ?
C34 N7 C38 117.9(4) . . ?
C34 N7 Ru2 118.3(3) . . ?
C38 N7 Ru2 123.7(3) . . ?
C38 N8 C39 118.8(4) . . ?
C38 N8 Ru1 117.1(3) . . ?
C39 N8 Ru1 124.2(3) . . ?
N1 C1 C2 122.8(5) . . ?
C1 C2 C3 119.3(5) . . ?
C4 C3 C2 118.9(5) . . ?
C3 C4 C5 120.9(5) . . ?
N2 C5 N1 117.9(4) . . ?
N2 C5 C4 122.2(5) . . ?
N1 C5 C4 119.9(5) . . ?
C11 C6 C7 116.9(5) . . ?
C11 C6 N2 122.5(4) . . ?
C7 C6 N2 120.6(5) . . ?
F1 C7 C8 117.8(6) . . ?
F1 C7 C6 120.0(5) . . ?
C8 C7 C6 122.1(6) . . ?
C9 C8 C7 119.8(6) . . ?
C8 C9 C10 120.9(6) . . ?
C9 C10 C11 118.4(7) . . ?
F1' C11 C6 113.4(9) . . ?
F1' C11 C10 119.2(9) . . ?
C6 C11 C10 121.9(5) . . ?
N3 C12 C13 123.3(5) . . ?
C12 C13 C14 119.7(5) . . ?
C15 C14 C13 118.5(5) . . ?
C14 C15 C16 120.1(6) . . ?
N3 C16 N4 118.5(4) . . ?
N3 C16 C15 121.0(5) . . ?
N4 C16 C15 120.4(5) . . ?
C18 C17 C22 116.4(5) . . ?
C18 C17 N4 121.5(5) . . ?
C22 C17 N4 122.1(5) . . ?
F2 C18 C17 118.0(5) . . ?
F2 C18 C19 118.4(6) . . ?
C17 C18 C19 123.6(6) . . ?
C20 C19 C18 118.7(6) . . ?
C19 C20 C21 120.1(6) . . ?
C20 C21 C22 120.2(7) . . ?
C21 C22 C17 121.0(6) . . ?
N5 C23 C24 123.7(5) . . ?
C23 C24 C25 117.5(5) . . ?
C26 C25 C24 120.5(5) . . ?
C25 C26 C27 120.8(5) . . ?
N6 C27 N5 118.0(4) . . ?
N6 C27 C26 123.6(5) . . ?
N5 C27 C26 118.3(4) . . ?
C29 C28 C33 116.9(4) . . ?
C29 C28 N6 119.9(4) . . ?
C33 C28 N6 123.2(4) . . ?
F3 C29 C30 117.8(4) . . ?
F3 C29 C28 118.5(4) . . ?
C30 C29 C28 123.7(5) . . ?
C29 C30 C31 118.6(5) . . ?
C30 C31 C32 119.3(5) . . ?
C31 C32 C33 120.8(5) . . ?
C28 C33 C32 120.8(5) . . ?
N7 C34 C35 123.7(4) . . ?
C34 C35 C36 118.6(4) . . ?
C37 C36 C35 119.3(4) . . ?
C36 C37 C38 120.0(5) . . ?
N8 C38 N7 117.3(4) . . ?
N8 C38 C37 122.9(4) . . ?
N7 C38 C37 119.8(4) . . ?
C40 C39 C44 118.0(6) . . ?
C40 C39 N8 121.9(5) . . ?
C44 C39 N8 120.1(5) . . ?
F4 C40 C39 119.4(5) . . ?
F4 C40 C41 118.5(6) . . ?
C39 C40 C41 122.0(7) . . ?
C42 C41 C40 119.4(8) . . ?
C41 C42 C43 119.4(7) . . ?
C42 C43 C44 121.5(8) . . ?
C43 C44 C39 119.6(7) . . ?
C46 C45 Ru1 178.7(5) . . ?
C45 C46 C47 167.8(7) . . ?
C45 C46 C47' 172.1(8) . . ?
C47 C46 C47' 20.0(5) . . ?
C52 C47 C48 120.0 . . ?
C52 C47 C46 120.5(5) . . ?
C48 C47 C46 119.3(5) . . ?
C49 C48 C47 120.0 . . ?
C48 C49 C50 120.0 . . ?
C49 C50 C51 120.0 . . ?
C52 C51 C50 120.0 . . ?
C51 C52 C47 120.0 . . ?
C48' C47' C52' 120.0 . . ?
C48' C47' C46 124.9(8) . . ?
C52' C47' C46 115.0(8) . . ?
C49' C48' C47' 120.0 . . ?
C48' C49' C50' 120.0 . . ?
C51' C50' C49' 120.0 . . ?
C52' C51' C50' 120.0 . . ?
C51' C52' C47' 120.0 . . ?
C54 C53 Ru2 174.9(4) . . ?
C53 C54 C55' 168.1(7) . . ?
C53 C54 C55 168.5(6) . . ?
C55' C54 C55 22.7(5) . . ?
C60 C55 C56 120.0 . . ?
C60 C55 C54 121.7(6) . . ?
C56 C55 C54 118.2(6) . . ?
C57 C56 C55 120.0 . . ?
C56 C57 C58 120.0 . . ?
C57 C58 C59 120.0 . . ?
C60 C59 C58 120.0 . . ?
C59 C60 C55 120.0 . . ?
C56' C55' C60' 120.0 . . ?
C56' C55' C54 118.0(7) . . ?
C60' C55' C54 121.9(7) . . ?
C57' C56' C55' 120.0 . . ?
C56' C57' C58' 120.0 . . ?
C57' C58' C59' 120.0 . . ?
C60' C59' C58' 120.0 . . ?
C59' C60' C55' 120.0 . . ?
Cl1 C61 Cl2 107.6(16) . . ?
Cl2' C61' Cl1' 104.5(14) . . ?
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 N8 1.977(4) . ?
Ru1 C45 2.010(6) . ?
Ru1 N5 2.028(4) . ?
Ru1 N1 2.119(4) . ?
Ru1 N3 2.204(4) . ?
Ru1 Ru2 2.4689(6) . ?
Ru2 N4 1.987(4) . ?
Ru2 C53 1.994(5) . ?
Ru2 N2 1.997(4) . ?
Ru2 N6 2.119(4) . ?
Ru2 N7 2.167(4) . ?
F1 C7 1.344(8) . ?
F1' C11 1.374(9) . ?
F2 C18 1.353(7) . ?
F3 C29 1.353(6) . ?
F4 C40 1.335(7) . ?
N1 C1 1.367(6) . ?
N1 C5 1.375(7) . ?
N2 C5 1.361(6) . ?
N2 C6 1.417(7) . ?
N3 C16 1.351(7) . ?
N3 C12 1.364(6) . ?
N4 C16 1.373(6) . ?
N4 C17 1.416(7) . ?
N5 C23 1.358(7) . ?
N5 C27 1.378(6) . ?
N6 C27 1.349(6) . ?
N6 C28 1.437(6) . ?
N7 C34 1.351(6) . ?
N7 C38 1.379(6) . ?
N8 C38 1.353(6) . ?
N8 C39 1.434(7) . ?
C1 C2 1.377(7) . ?
C2 C3 1.391(8) . ?
C3 C4 1.368(8) . ?
C4 C5 1.412(7) . ?
C6 C11 1.375(8) . ?
C6 C7 1.395(8) . ?
C7 C8 1.379(9) . ?
C8 C9 1.363(10) . ?
C9 C10 1.375(10) . ?
C10 C11 1.416(9) . ?
C12 C13 1.377(8) . ?
C13 C14 1.373(9) . ?
C14 C15 1.374(8) . ?
C15 C16 1.422(7) . ?
C17 C18 1.380(8) . ?
C17 C22 1.389(8) . ?
C18 C19 1.381(9) . ?
C19 C20 1.373(11) . ?
C20 C21 1.370(10) . ?
C21 C22 1.399(9) . ?
C23 C24 1.366(8) . ?
C24 C25 1.397(9) . ?
C25 C26 1.354(8) . ?
C26 C27 1.417(7) . ?
C28 C29 1.378(7) . ?
C28 C33 1.386(7) . ?
C29 C30 1.377(7) . ?
C30 C31 1.376(8) . ?
C31 C32 1.388(8) . ?
C32 C33 1.381(8) . ?
C34 C35 1.373(7) . ?
C35 C36 1.397(7) . ?
C36 C37 1.367(7) . ?
C37 C38 1.418(7) . ?
C39 C40 1.370(8) . ?
C39 C44 1.387(8) . ?
C40 C41 1.380(9) . ?
C41 C42 1.365(12) . ?
C42 C43 1.362(13) . ?
C43 C44 1.382(10) . ?
C45 C46 1.204(8) . ?
C46 C47 1.437(7) . ?
C46 C47' 1.473(10) . ?
C47 C52 1.3962 . ?
C47 C48 1.3966 . ?
C48 C49 1.3954 . ?
C49 C50 1.3961 . ?
C50 C51 1.3965 . ?
C51 C52 1.3954 . ?
C47' C48' 1.3956 . ?
C47' C52' 1.3959 . ?
C48' C49' 1.3955 . ?
C49' C50' 1.3960 . ?
C50' C51' 1.3956 . ?
C51' C52' 1.3953 . ?
C53 C54 1.202(7) . ?
C54 C55' 1.424(9) . ?
C54 C55 1.504(8) . ?
C55 C60 1.3957 . ?
C55 C56 1.3959 . ?
C56 C57 1.3955 . ?
C57 C58 1.3957 . ?
C58 C59 1.3959 . ?
C59 C60 1.3954 . ?
C55' C56' 1.3963 . ?
C55' C60' 1.3966 . ?
C56' C57' 1.3955 . ?
C57' C58' 1.3962 . ?
C58' C59' 1.3964 . ?
C59' C60' 1.3954 . ?
C61 Cl1 1.749(10) . ?
C61 Cl2 1.751(10) . ?
C61' Cl2' 1.734(10) . ?
C61' Cl1' 1.747(10) . ?
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
N8 Ru1 Ru2 N4 -160.39(16) . . . . ?
C45 Ru1 Ru2 N4 46.8(5) . . . . ?
N5 Ru1 Ru2 N4 -68.67(16) . . . . ?
N1 Ru1 Ru2 N4 110.39(15) . . . . ?
N3 Ru1 Ru2 N4 22.19(16) . . . . ?
N8 Ru1 Ru2 C53 -20.6(4) . . . . ?
C45 Ru1 Ru2 C53 -173.4(6) . . . . ?
N5 Ru1 Ru2 C53 71.1(4) . . . . ?
N1 Ru1 Ru2 C53 -109.8(4) . . . . ?
N3 Ru1 Ru2 C53 162.0(4) . . . . ?
N8 Ru1 Ru2 N2 108.69(16) . . . . ?
C45 Ru1 Ru2 N2 -44.1(5) . . . . ?
N5 Ru1 Ru2 N2 -159.59(16) . . . . ?
N1 Ru1 Ru2 N2 19.47(16) . . . . ?
N3 Ru1 Ru2 N2 -68.73(15) . . . . ?
N8 Ru1 Ru2 N6 -71.78(15) . . . . ?
C45 Ru1 Ru2 N6 135.4(5) . . . . ?
N5 Ru1 Ru2 N6 19.94(15) . . . . ?
N1 Ru1 Ru2 N6 -161.00(15) . . . . ?
N3 Ru1 Ru2 N6 110.80(14) . . . . ?
N8 Ru1 Ru2 N7 21.73(15) . . . . ?
C45 Ru1 Ru2 N7 -131.1(5) . . . . ?
N5 Ru1 Ru2 N7 113.45(15) . . . . ?
N1 Ru1 Ru2 N7 -67.49(14) . . . . ?
N3 Ru1 Ru2 N7 -155.69(14) . . . . ?
N8 Ru1 N1 C1 68.7(3) . . . . ?
C45 Ru1 N1 C1 -31.3(4) . . . . ?
N5 Ru1 N1 C1 173.7(15) . . . . ?
N3 Ru1 N1 C1 -117.8(3) . . . . ?
Ru2 Ru1 N1 C1 163.2(3) . . . . ?
N8 Ru1 N1 C5 -113.9(3) . . . . ?
C45 Ru1 N1 C5 146.1(4) . . . . ?
N5 Ru1 N1 C5 -8.9(18) . . . . ?
N3 Ru1 N1 C5 59.6(3) . . . . ?
Ru2 Ru1 N1 C5 -19.4(3) . . . . ?
N4 Ru2 N2 C5 -121.0(3) . . . . ?
C53 Ru2 N2 C5 136.4(3) . . . . ?
N6 Ru2 N2 C5 -30.0(13) . . . . ?
N7 Ru2 N2 C5 52.1(3) . . . . ?
Ru1 Ru2 N2 C5 -26.5(3) . . . . ?
N4 Ru2 N2 C6 53.2(4) . . . . ?
C53 Ru2 N2 C6 -49.3(4) . . . . ?
N6 Ru2 N2 C6 144.3(10) . . . . ?
N7 Ru2 N2 C6 -133.6(4) . . . . ?
Ru1 Ru2 N2 C6 147.8(4) . . . . ?
N8 Ru1 N3 C16 -42.6(13) . . . . ?
C45 Ru1 N3 C16 164.7(4) . . . . ?
N5 Ru1 N3 C16 70.5(4) . . . . ?
N1 Ru1 N3 C16 -104.7(4) . . . . ?
Ru2 Ru1 N3 C16 -22.0(3) . . . . ?
N8 Ru1 N3 C12 137.5(11) . . . . ?
C45 Ru1 N3 C12 -15.1(4) . . . . ?
N5 Ru1 N3 C12 -109.3(4) . . . . ?
N1 Ru1 N3 C12 75.4(4) . . . . ?
Ru2 Ru1 N3 C12 158.2(4) . . . . ?
C53 Ru2 N4 C16 164.0(3) . . . . ?
N2 Ru2 N4 C16 61.4(4) . . . . ?
N6 Ru2 N4 C16 -110.9(4) . . . . ?
N7 Ru2 N4 C16 -13.1(14) . . . . ?
Ru1 Ru2 N4 C16 -30.2(3) . . . . ?
C53 Ru2 N4 C17 -18.3(4) . . . . ?
N2 Ru2 N4 C17 -120.9(4) . . . . ?
N6 Ru2 N4 C17 66.8(4) . . . . ?
N7 Ru2 N4 C17 164.6(10) . . . . ?
Ru1 Ru2 N4 C17 147.5(4) . . . . ?
N8 Ru1 N5 C23 -101.9(4) . . . . ?
C45 Ru1 N5 C23 -1.7(5) . . . . ?
N1 Ru1 N5 C23 153.2(15) . . . . ?
N3 Ru1 N5 C23 84.9(4) . . . . ?
Ru2 Ru1 N5 C23 163.6(4) . . . . ?
N8 Ru1 N5 C27 71.8(4) . . . . ?
C45 Ru1 N5 C27 171.9(4) . . . . ?
N1 Ru1 N5 C27 -33.2(18) . . . . ?
N3 Ru1 N5 C27 -101.5(4) . . . . ?
Ru2 Ru1 N5 C27 -22.8(3) . . . . ?
N4 Ru2 N6 C27 69.8(4) . . . . ?
C53 Ru2 N6 C27 172.0(4) . . . . ?
N2 Ru2 N6 C27 -21.4(13) . . . . ?
N7 Ru2 N6 C27 -103.2(4) . . . . ?
Ru1 Ru2 N6 C27 -24.9(4) . . . . ?
N4 Ru2 N6 C28 -105.5(3) . . . . ?
C53 Ru2 N6 C28 -3.4(3) . . . . ?
N2 Ru2 N6 C28 163.3(10) . . . . ?
N7 Ru2 N6 C28 81.5(3) . . . . ?
Ru1 Ru2 N6 C28 159.8(3) . . . . ?
N4 Ru2 N7 C34 140.7(11) . . . . ?
C53 Ru2 N7 C34 -36.4(3) . . . . ?
N2 Ru2 N7 C34 66.0(3) . . . . ?
N6 Ru2 N7 C34 -121.6(3) . . . . ?
Ru1 Ru2 N7 C34 158.1(3) . . . . ?
N4 Ru2 N7 C38 -43.3(13) . . . . ?
C53 Ru2 N7 C38 139.6(4) . . . . ?
N2 Ru2 N7 C38 -118.0(3) . . . . ?
N6 Ru2 N7 C38 54.4(3) . . . . ?
Ru1 Ru2 N7 C38 -25.9(3) . . . . ?
C45 Ru1 N8 C38 146.8(3) . . . . ?
N5 Ru1 N8 C38 -118.7(3) . . . . ?
N1 Ru1 N8 C38 56.4(3) . . . . ?
N3 Ru1 N8 C38 -5.5(13) . . . . ?
Ru2 Ru1 N8 C38 -25.8(3) . . . . ?
C45 Ru1 N8 C39 -33.7(4) . . . . ?
N5 Ru1 N8 C39 60.9(4) . . . . ?
N1 Ru1 N8 C39 -124.1(4) . . . . ?
N3 Ru1 N8 C39 174.0(10) . . . . ?
Ru2 Ru1 N8 C39 153.7(4) . . . . ?
C5 N1 C1 C2 -0.3(6) . . . . ?
Ru1 N1 C1 C2 177.2(3) . . . . ?
N1 C1 C2 C3 -0.2(7) . . . . ?
C1 C2 C3 C4 -0.1(7) . . . . ?
C2 C3 C4 C5 0.8(7) . . . . ?
C6 N2 C5 N1 -157.0(4) . . . . ?
Ru2 N2 C5 N1 17.7(5) . . . . ?
C6 N2 C5 C4 25.1(6) . . . . ?
Ru2 N2 C5 C4 -160.1(3) . . . . ?
C1 N1 C5 N2 -176.9(4) . . . . ?
Ru1 N1 C5 N2 5.7(5) . . . . ?
C1 N1 C5 C4 1.0(6) . . . . ?
Ru1 N1 C5 C4 -176.4(3) . . . . ?
C3 C4 C5 N2 176.5(4) . . . . ?
C3 C4 C5 N1 -1.3(7) . . . . ?
C5 N2 C6 C11 -123.6(5) . . . . ?
Ru2 N2 C6 C11 62.1(6) . . . . ?
C5 N2 C6 C7 57.4(6) . . . . ?
Ru2 N2 C6 C7 -117.0(5) . . . . ?
C11 C6 C7 F1 176.0(5) . . . . ?
N2 C6 C7 F1 -4.9(8) . . . . ?
C11 C6 C7 C8 0.3(8) . . . . ?
N2 C6 C7 C8 179.4(5) . . . . ?
F1 C7 C8 C9 -176.4(5) . . . . ?
C6 C7 C8 C9 -0.5(9) . . . . ?
C7 C8 C9 C10 -0.7(10) . . . . ?
C8 C9 C10 C11 2.2(10) . . . . ?
C7 C6 C11 F1' -152.4(10) . . . . ?
N2 C6 C11 F1' 28.5(11) . . . . ?
C7 C6 C11 C10 1.3(8) . . . . ?
N2 C6 C11 C10 -177.8(5) . . . . ?
C9 C10 C11 F1' 149.7(11) . . . . ?
C9 C10 C11 C6 -2.5(9) . . . . ?
C16 N3 C12 C13 -1.7(7) . . . . ?
Ru1 N3 C12 C13 178.2(4) . . . . ?
N3 C12 C13 C14 -0.6(8) . . . . ?
C12 C13 C14 C15 1.2(9) . . . . ?
C13 C14 C15 C16 0.4(9) . . . . ?
C12 N3 C16 N4 -173.7(4) . . . . ?
Ru1 N3 C16 N4 6.4(6) . . . . ?
C12 N3 C16 C15 3.3(7) . . . . ?
Ru1 N3 C16 C15 -176.6(4) . . . . ?
C17 N4 C16 N3 -158.4(4) . . . . ?
Ru2 N4 C16 N3 19.5(6) . . . . ?
C17 N4 C16 C15 24.6(7) . . . . ?
Ru2 N4 C16 C15 -157.5(4) . . . . ?
C14 C15 C16 N3 -2.7(8) . . . . ?
C14 C15 C16 N4 174.2(5) . . . . ?
C16 N4 C17 C18 61.5(6) . . . . ?
Ru2 N4 C17 C18 -116.1(5) . . . . ?
C16 N4 C17 C22 -120.6(5) . . . . ?
Ru2 N4 C17 C22 61.7(6) . . . . ?
C22 C17 C18 F2 -179.6(5) . . . . ?
N4 C17 C18 F2 -1.6(7) . . . . ?
C22 C17 C18 C19 0.1(8) . . . . ?
N4 C17 C18 C19 178.1(5) . . . . ?
F2 C18 C19 C20 -179.5(5) . . . . ?
C17 C18 C19 C20 0.9(9) . . . . ?
C18 C19 C20 C21 -1.8(10) . . . . ?
C19 C20 C21 C22 1.8(10) . . . . ?
C20 C21 C22 C17 -0.8(9) . . . . ?
C18 C17 C22 C21 -0.1(8) . . . . ?
N4 C17 C22 C21 -178.1(5) . . . . ?
C27 N5 C23 C24 -1.1(9) . . . . ?
Ru1 N5 C23 C24 172.3(5) . . . . ?
N5 C23 C24 C25 0.4(10) . . . . ?
C23 C24 C25 C26 -0.4(11) . . . . ?
C24 C25 C26 C27 1.1(11) . . . . ?
C28 N6 C27 N5 -169.5(4) . . . . ?
Ru2 N6 C27 N5 14.8(6) . . . . ?
C28 N6 C27 C26 12.5(7) . . . . ?
Ru2 N6 C27 C26 -163.2(4) . . . . ?
C23 N5 C27 N6 -176.3(5) . . . . ?
Ru1 N5 C27 N6 9.7(6) . . . . ?
C23 N5 C27 C26 1.8(7) . . . . ?
Ru1 N5 C27 C26 -172.2(4) . . . . ?
C25 C26 C27 N6 176.2(6) . . . . ?
C25 C26 C27 N5 -1.8(9) . . . . ?
C27 N6 C28 C29 81.6(5) . . . . ?
Ru2 N6 C28 C29 -102.6(4) . . . . ?
C27 N6 C28 C33 -98.4(5) . . . . ?
Ru2 N6 C28 C33 77.4(5) . . . . ?
C33 C28 C29 F3 178.1(4) . . . . ?
N6 C28 C29 F3 -1.9(7) . . . . ?
C33 C28 C29 C30 -0.4(7) . . . . ?
N6 C28 C29 C30 179.6(4) . . . . ?
F3 C29 C30 C31 -178.2(5) . . . . ?
C28 C29 C30 C31 0.3(8) . . . . ?
C29 C30 C31 C32 -0.1(8) . . . . ?
C30 C31 C32 C33 0.0(9) . . . . ?
C29 C28 C33 C32 0.2(7) . . . . ?
N6 C28 C33 C32 -179.7(5) . . . . ?
C31 C32 C33 C28 -0.1(8) . . . . ?
C38 N7 C34 C35 -4.6(6) . . . . ?
Ru2 N7 C34 C35 171.6(3) . . . . ?
N7 C34 C35 C36 -2.3(7) . . . . ?
C34 C35 C36 C37 4.6(7) . . . . ?
C35 C36 C37 C38 0.0(7) . . . . ?
C39 N8 C38 N7 -168.0(4) . . . . ?
Ru1 N8 C38 N7 11.5(5) . . . . ?
C39 N8 C38 C37 13.7(7) . . . . ?
Ru1 N8 C38 C37 -166.7(3) . . . . ?
C34 N7 C38 N8 -169.1(4) . . . . ?
Ru2 N7 C38 N8 14.9(5) . . . . ?
C34 N7 C38 C37 9.2(6) . . . . ?
Ru2 N7 C38 C37 -166.8(3) . . . . ?
C36 C37 C38 N8 171.2(4) . . . . ?
C36 C37 C38 N7 -7.0(7) . . . . ?
C38 N8 C39 C40 -92.3(6) . . . . ?
Ru1 N8 C39 C40 88.2(6) . . . . ?
C38 N8 C39 C44 87.7(6) . . . . ?
Ru1 N8 C39 C44 -91.9(6) . . . . ?
C44 C39 C40 F4 -175.7(6) . . . . ?
N8 C39 C40 F4 4.3(9) . . . . ?
C44 C39 C40 C41 4.0(10) . . . . ?
N8 C39 C40 C41 -176.0(6) . . . . ?
F4 C40 C41 C42 175.9(8) . . . . ?
C39 C40 C41 C42 -3.9(12) . . . . ?
C40 C41 C42 C43 1.0(14) . . . . ?
C41 C42 C43 C44 1.5(14) . . . . ?
C42 C43 C44 C39 -1.3(12) . . . . ?
C40 C39 C44 C43 -1.4(9) . . . . ?
N8 C39 C44 C43 178.6(6) . . . . ?
N8 Ru1 C45 C46 164(23) . . . . ?
N5 Ru1 C45 C46 72(23) . . . . ?
N1 Ru1 C45 C46 -106(23) . . . . ?
N3 Ru1 C45 C46 -20(23) . . . . ?
Ru2 Ru1 C45 C46 -44(23) . . . . ?
Ru1 C45 C46 C47 17(25) . . . . ?
Ru1 C45 C46 C47' -148(20) . . . . ?
C45 C46 C47 C52 -77(3) . . . . ?
C47' C46 C47 C52 97.0(17) . . . . ?
C45 C46 C47 C48 107(3) . . . . ?
C47' C46 C47 C48 -79.0(16) . . . . ?
C52 C47 C48 C49 0.0 . . . . ?
C46 C47 C48 C49 176.0(8) . . . . ?
C47 C48 C49 C50 0.0 . . . . ?
C48 C49 C50 C51 0.0 . . . . ?
C49 C50 C51 C52 0.0 . . . . ?
C50 C51 C52 C47 0.0 . . . . ?
C48 C47 C52 C51 0.0 . . . . ?
C46 C47 C52 C51 -176.0(8) . . . . ?
C45 C46 C47' C48' 17(6) . . . . ?
C47 C46 C47' C48' -154(2) . . . . ?
C45 C46 C47' C52' -167(5) . . . . ?
C47 C46 C47' C52' 22.2(14) . . . . ?
C52' C47' C48' C49' 0.0 . . . . ?
C46 C47' C48' C49' 176.0(10) . . . . ?
C47' C48' C49' C50' 0.0 . . . . ?
C48' C49' C50' C51' 0.0 . . . . ?
C49' C50' C51' C52' 0.0 . . . . ?
C50' C51' C52' C47' 0.0 . . . . ?
C48' C47' C52' C51' 0.0 . . . . ?
C46 C47' C52' C51' -176.4(9) . . . . ?
N4 Ru2 C53 C54 -110(5) . . . . ?
N2 Ru2 C53 C54 -17(5) . . . . ?
N6 Ru2 C53 C54 161(5) . . . . ?
N7 Ru2 C53 C54 69(5) . . . . ?
Ru1 Ru2 C53 C54 111(5) . . . . ?
Ru2 C53 C54 C55' -53(7) . . . . ?
Ru2 C53 C54 C55 99(5) . . . . ?
C53 C54 C55 C60 -50(3) . . . . ?
C55' C54 C55 C60 115.1(19) . . . . ?
C53 C54 C55 C56 132(3) . . . . ?
C55' C54 C55 C56 -62.0(16) . . . . ?
C60 C55 C56 C57 0.0 . . . . ?
C54 C55 C56 C57 177.2(7) . . . . ?
C55 C56 C57 C58 0.0 . . . . ?
C56 C57 C58 C59 0.0 . . . . ?
C57 C58 C59 C60 0.0 . . . . ?
C58 C59 C60 C55 0.0 . . . . ?
C56 C55 C60 C59 0.0 . . . . ?
C54 C55 C60 C59 -177.1(7) . . . . ?
C53 C54 C55' C56' -138(3) . . . . ?
C55 C54 C55' C56' 56.1(16) . . . . ?
C53 C54 C55' C60' 44(3) . . . . ?
C55 C54 C55' C60' -122(2) . . . . ?
C60' C55' C56' C57' 0.0 . . . . ?
C54 C55' C56' C57' -178.2(9) . . . . ?
C55' C56' C57' C58' 0.0 . . . . ?
C56' C57' C58' C59' 0.0 . . . . ?
C57' C58' C59' C60' 0.0 . . . . ?
C58' C59' C60' C55' 0.0 . . . . ?
C56' C55' C60' C59' 0.0 . . . . ?
C54 C55' C60' C59' 178.1(10) . . . . ?
