#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:18:24 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179240 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/60/4316055.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_4316055
loop_
_publ_author_name
'Tanaya Kundu'
'Biprajit Sarkar'
'Tapan Kumar Mondal'
'Jan Fiedler'
'Shaikh M. Mobin'
'Wolfgang Kaim'
'Goutam Kumar Lahiri'
_publ_section_title
;
 Carboxylate Tolerance of the Redox-Active Platform [Ru(μ-tppz)Ru]n,
 where tppz = 2,3,5,6-Tetrakis(2-pyridyl)pyrazine, in the
 Electron-Transfer Series [(L)ClRu(μ-tppz)RuCl(L)]n,n= 2+, +, 0, -, 2-,
 with 2-Picolinato, Quinaldato, and 8-Quinolinecarboxylato Ligands (L-)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6565
_journal_page_last               6574
_journal_paper_doi               10.1021/ic100500p
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C50 H28 Cl2 N8 O4 Ru2'
_chemical_formula_weight         1077.84
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 115.491(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.9051(8)
_cell_length_b                   14.1541(5)
_cell_length_c                   13.3293(6)
_cell_measurement_reflns_used    4078
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      32.6668
_cell_measurement_theta_min      3.3335
_cell_volume                     4071.0(3)
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.,'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_molecular_graphics    Ortep3
_computing_publication_material  Shelx97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 15.9948
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'OXFORD DIFFRACTION XCALIBUR-S'
_diffrn_measurement_method       ω/q-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0829
_diffrn_reflns_av_sigmaI/netI    0.1004
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            15258
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.34
_exptl_absorpt_coefficient_mu    0.935
_exptl_absorpt_correction_T_max  0.8207
_exptl_absorpt_correction_T_min  0.7798
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.759
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2152
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.792
_refine_diff_density_min         -0.745
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.951
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         3570
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.951
_refine_ls_R_factor_all          0.0929
_refine_ls_R_factor_gt           0.0481
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0289P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0709
_refine_ls_wR_factor_ref         0.0794
_reflns_number_gt                2490
_reflns_number_total             3570
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic100500p_si_002.cif
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_sg_symbol_H-M      'C 2/c'
_cod_database_code               4316055
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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 0.365973(17) 0.15090(3) 0.76022(4) 0.01508(12) Uani 1 1 d . . .
Cl1 Cl 0.33041(5) 0.09237(11) 0.57621(11) 0.0239(3) Uani 1 1 d . . .
N1 N 0.36544(16) 0.2858(3) 0.7047(3) 0.0162(10) Uani 1 1 d . . .
N2 N 0.44732(17) 0.1582(4) 0.7621(3) 0.0183(10) Uani 1 1 d . . .
N3 N 0.39887(16) 0.0191(3) 0.8220(3) 0.0150(10) Uani 1 1 d . . .
N4 N 0.27695(17) 0.1402(3) 0.7554(3) 0.0163(10) Uani 1 1 d . . .
O1 O 0.39341(15) 0.2052(3) 0.9177(3) 0.0251(9) Uani 1 1 d . . .
O2 O 0.38994(17) 0.3370(4) 1.0010(4) 0.0585(15) Uani 1 1 d . . .
C1 C 0.3172(2) 0.3457(5) 0.6578(4) 0.0208(12) Uani 1 1 d . . .
H1 H 0.2779 0.3260 0.6519 0.025 Uiso 1 1 calc R . .
C2 C 0.3216(2) 0.4337(4) 0.6178(4) 0.0212(13) Uani 1 1 d . . .
H2 H 0.2865 0.4740 0.5882 0.025 Uiso 1 1 calc R . .
C3 C 0.3779(2) 0.4630(4) 0.6213(4) 0.0220(14) Uani 1 1 d . . .
H3 H 0.3822 0.5237 0.5949 0.026 Uiso 1 1 calc R . .
C4 C 0.4271(2) 0.4015(4) 0.6641(4) 0.0198(13) Uani 1 1 d . . .
H4 H 0.4654 0.4186 0.6634 0.024 Uiso 1 1 calc R . .
C5 C 0.4220(2) 0.3156(4) 0.7078(4) 0.0144(12) Uani 1 1 d . . .
C6 C 0.4695(2) 0.2415(4) 0.7449(4) 0.0159(13) Uani 1 1 d . . .
C7 C 0.4761(2) 0.0734(4) 0.7674(4) 0.0184(13) Uani 1 1 d . . .
C8 C 0.4536(2) -0.0024(4) 0.8138(4) 0.0193(13) Uani 1 1 d . . .
C9 C 0.4877(2) -0.0820(4) 0.8631(4) 0.0205(13) Uani 1 1 d . . .
H9 H 0.5253 -0.0946 0.8576 0.025 Uiso 1 1 calc R . .
C10 C 0.4671(2) -0.1433(5) 0.9201(4) 0.0255(13) Uani 1 1 d . . .
H10 H 0.4902 -0.1984 0.9538 0.031 Uiso 1 1 calc R . .
C11 C 0.4125(2) -0.1238(4) 0.9278(4) 0.0238(14) Uani 1 1 d . . .
H11 H 0.3971 -0.1657 0.9658 0.029 Uiso 1 1 calc R . .
C12 C 0.3804(2) -0.0416(4) 0.8789(4) 0.0222(14) Uani 1 1 d . . .
H12 H 0.3434 -0.0277 0.8862 0.027 Uiso 1 1 calc R . .
C13 C 0.3641(2) 0.2718(4) 0.9362(5) 0.0248(14) Uani 1 1 d . . .
C14 C 0.2926(2) 0.2737(4) 0.8807(4) 0.0196(13) Uani 1 1 d . . .
C15 C 0.2657(2) 0.3406(5) 0.9212(4) 0.0271(14) Uani 1 1 d . . .
H15 H 0.2915 0.3870 0.9712 0.032 Uiso 1 1 calc R . .
C16 C 0.2020(3) 0.3430(5) 0.8920(5) 0.0324(15) Uani 1 1 d . . .
H16 H 0.1850 0.3917 0.9192 0.039 Uiso 1 1 calc R . .
C17 C 0.1651(3) 0.2751(5) 0.8245(5) 0.0308(16) Uani 1 1 d . . .
H17 H 0.1221 0.2755 0.8065 0.037 Uiso 1 1 calc R . .
C18 C 0.1892(2) 0.2036(4) 0.7802(4) 0.0219(14) Uani 1 1 d . . .
C19 C 0.1517(2) 0.1335(4) 0.7106(4) 0.0277(16) Uani 1 1 d . . .
H19 H 0.1087 0.1325 0.6924 0.033 Uiso 1 1 calc R . .
C20 C 0.1761(2) 0.0671(5) 0.6688(4) 0.0301(16) Uani 1 1 d . . .
H20 H 0.1514 0.0169 0.6246 0.036 Uiso 1 1 calc R . .
C21 C 0.2390(2) 0.0741(4) 0.6923(4) 0.0230(14) Uani 1 1 d . . .
H21 H 0.2556 0.0282 0.6606 0.028 Uiso 1 1 calc R . .
C22 C 0.2541(2) 0.2046(4) 0.8058(4) 0.0166(12) Uani 1 1 d . . .
C333 C 0.5122(4) 0.5675(7) 1.0128(10) 0.108(4) Uani 1 1 d . . .
C222 C 0.4968(3) 0.6006(7) 0.8957(9) 0.080(3) Uani 1 1 d . . .
C111 C 0.4950(4) 0.6367(9) 0.7990(8) 0.106(4) 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
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'
O O 0.0106 0.0060 '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
N2 Ru1 N1 78.72(18) . . ?
N2 Ru1 N3 80.48(18) . . ?
N1 Ru1 N3 159.12(14) . . ?
N2 Ru1 O1 95.13(16) . . ?
N1 Ru1 O1 88.28(16) . . ?
N3 Ru1 O1 91.80(15) . . ?
N2 Ru1 N4 178.60(19) . . ?
N1 Ru1 N4 101.98(16) . . ?
N3 Ru1 N4 98.86(16) . . ?
O1 Ru1 N4 86.12(15) . . ?
N2 Ru1 Cl1 86.73(13) . . ?
N1 Ru1 Cl1 90.46(12) . . ?
N3 Ru1 Cl1 90.14(12) . . ?
O1 Ru1 Cl1 177.51(11) . . ?
N4 Ru1 Cl1 92.04(12) . . ?
C1 N1 C5 116.5(5) . . ?
C1 N1 Ru1 128.7(3) . . ?
C5 N1 Ru1 114.5(3) . . ?
C6 N2 C7 123.2(4) . . ?
C6 N2 Ru1 120.6(4) . . ?
C7 N2 Ru1 115.7(4) . . ?
C12 N3 C8 117.0(5) . . ?
C12 N3 Ru1 130.3(3) . . ?
C8 N3 Ru1 112.2(3) . . ?
C21 N4 C22 118.1(4) . . ?
C21 N4 Ru1 118.5(4) . . ?
C22 N4 Ru1 123.0(4) . . ?
C13 O1 Ru1 121.2(3) . . ?
N1 C1 C2 123.8(4) . . ?
N1 C1 H1 118.1 . . ?
C2 C1 H1 118.1 . . ?
C1 C2 C3 119.4(5) . . ?
C1 C2 H2 120.3 . . ?
C3 C2 H2 120.3 . . ?
C4 C3 C2 117.9(5) . . ?
C4 C3 H3 121.0 . . ?
C2 C3 H3 121.0 . . ?
C3 C4 C5 121.2(5) . . ?
C3 C4 H4 119.4 . . ?
C5 C4 H4 119.4 . . ?
C4 C5 N1 121.0(4) . . ?
C4 C5 C6 125.2(4) . . ?
N1 C5 C6 113.1(5) . . ?
N2 C6 C6 116.7(3) . 2_656 ?
N2 C6 C5 112.2(4) . . ?
C6 C6 C5 130.8(3) 2_656 . ?
N2 C7 C7 116.4(3) . 2_656 ?
N2 C7 C8 113.5(4) . . ?
C7 C7 C8 130.0(3) 2_656 . ?
C9 C8 N3 121.6(5) . . ?
C9 C8 C7 123.7(4) . . ?
N3 C8 C7 113.9(5) . . ?
C10 C9 C8 120.0(5) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C9 C10 C11 119.3(6) . . ?
C9 C10 H10 120.3 . . ?
C11 C10 H10 120.3 . . ?
C10 C11 C12 118.7(5) . . ?
C10 C11 H11 120.7 . . ?
C12 C11 H11 120.7 . . ?
N3 C12 C11 123.5(5) . . ?
N3 C12 H12 118.3 . . ?
C11 C12 H12 118.3 . . ?
O2 C13 O1 123.0(5) . . ?
O2 C13 C14 116.1(5) . . ?
O1 C13 C14 120.9(5) . . ?
C15 C14 C22 118.7(5) . . ?
C15 C14 C13 115.5(5) . . ?
C22 C14 C13 125.1(5) . . ?
C14 C15 C16 122.8(6) . . ?
C14 C15 H15 118.6 . . ?
C16 C15 H15 118.6 . . ?
C17 C16 C15 119.3(6) . . ?
C17 C16 H16 120.4 . . ?
C15 C16 H16 120.4 . . ?
C16 C17 C18 121.3(5) . . ?
C16 C17 H17 119.4 . . ?
C18 C17 H17 119.4 . . ?
C19 C18 C17 121.8(5) . . ?
C19 C18 C22 119.1(5) . . ?
C17 C18 C22 119.1(5) . . ?
C20 C19 C18 120.3(5) . . ?
C20 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
C19 C20 C21 118.2(5) . . ?
C19 C20 H20 120.9 . . ?
C21 C20 H20 120.9 . . ?
N4 C21 C20 124.7(5) . . ?
N4 C21 H21 117.7 . . ?
C20 C21 H21 117.7 . . ?
N4 C22 C14 121.7(4) . . ?
N4 C22 C18 119.5(5) . . ?
C14 C22 C18 118.8(5) . . ?
C222 C333 C333 101.4(10) . 5_667 ?
C111 C222 C333 168.5(8) . . ?
C222 C111 C111 155.8(8) . 2_656 ?
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 N2 1.937(4) . ?
Ru1 N1 2.046(4) . ?
Ru1 N3 2.054(4) . ?
Ru1 O1 2.060(4) . ?
Ru1 N4 2.107(4) . ?
Ru1 Cl1 2.3728(14) . ?
N1 C1 1.348(6) . ?
N1 C5 1.399(5) . ?
N2 C6 1.351(7) . ?
N2 C7 1.371(7) . ?
N3 C12 1.340(6) . ?
N3 C8 1.393(6) . ?
N4 C21 1.321(6) . ?
N4 C22 1.378(6) . ?
O1 C13 1.260(6) . ?
O2 C13 1.233(6) . ?
C1 C2 1.376(7) . ?
C1 H1 0.9500 . ?
C2 C3 1.389(6) . ?
C2 H2 0.9500 . ?
C3 C4 1.375(7) . ?
C3 H3 0.9500 . ?
C4 C5 1.377(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.467(7) . ?
C6 C6 1.406(8) 2_656 ?
C7 C7 1.404(9) 2_656 ?
C7 C8 1.453(7) . ?
C8 C9 1.380(7) . ?
C9 C10 1.376(7) . ?
C9 H9 0.9500 . ?
C10 C11 1.381(7) . ?
C10 H10 0.9500 . ?
C11 C12 1.392(7) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.544(7) . ?
C14 C15 1.377(7) . ?
C14 C22 1.418(7) . ?
C15 C16 1.401(7) . ?
C15 H15 0.9500 . ?
C16 C17 1.351(8) . ?
C16 H16 0.9500 . ?
C17 C18 1.414(8) . ?
C17 H17 0.9500 . ?
C18 C19 1.390(8) . ?
C18 C22 1.436(6) . ?
C19 C20 1.347(8) . ?
C19 H19 0.9500 . ?
C20 C21 1.401(6) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C333 C222 1.514(13) . ?
C333 C333 1.99(2) 5_667 ?
C222 C111 1.370(12) . ?
C111 C111 1.426(19) 2_656 ?
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
N2 Ru1 N1 C1 167.8(4) . . . . ?
N3 Ru1 N1 C1 172.8(4) . . . . ?
O1 Ru1 N1 C1 -96.7(4) . . . . ?
N4 Ru1 N1 C1 -11.0(4) . . . . ?
Cl1 Ru1 N1 C1 81.2(4) . . . . ?
N2 Ru1 N1 C5 -6.2(3) . . . . ?
N3 Ru1 N1 C5 -1.2(7) . . . . ?
O1 Ru1 N1 C5 89.4(3) . . . . ?
N4 Ru1 N1 C5 175.0(3) . . . . ?
Cl1 Ru1 N1 C5 -92.8(3) . . . . ?
N1 Ru1 N2 C6 9.0(4) . . . . ?
N3 Ru1 N2 C6 -169.2(4) . . . . ?
O1 Ru1 N2 C6 -78.2(4) . . . . ?
N4 Ru1 N2 C6 129(8) . . . . ?
Cl1 Ru1 N2 C6 100.1(4) . . . . ?
N1 Ru1 N2 C7 -163.1(4) . . . . ?
N3 Ru1 N2 C7 18.8(4) . . . . ?
O1 Ru1 N2 C7 109.7(4) . . . . ?
N4 Ru1 N2 C7 -43(8) . . . . ?
Cl1 Ru1 N2 C7 -71.9(4) . . . . ?
N2 Ru1 N3 C12 160.1(5) . . . . ?
N1 Ru1 N3 C12 155.1(4) . . . . ?
O1 Ru1 N3 C12 65.2(4) . . . . ?
N4 Ru1 N3 C12 -21.1(5) . . . . ?
Cl1 Ru1 N3 C12 -113.2(4) . . . . ?
N2 Ru1 N3 C8 -10.9(3) . . . . ?
N1 Ru1 N3 C8 -15.9(6) . . . . ?
O1 Ru1 N3 C8 -105.8(3) . . . . ?
N4 Ru1 N3 C8 167.9(3) . . . . ?
Cl1 Ru1 N3 C8 75.8(3) . . . . ?
N2 Ru1 N4 C21 1(8) . . . . ?
N1 Ru1 N4 C21 120.4(4) . . . . ?
N3 Ru1 N4 C21 -61.0(4) . . . . ?
O1 Ru1 N4 C21 -152.2(4) . . . . ?
Cl1 Ru1 N4 C21 29.5(4) . . . . ?
N2 Ru1 N4 C22 -172(8) . . . . ?
N1 Ru1 N4 C22 -52.7(4) . . . . ?
N3 Ru1 N4 C22 125.9(4) . . . . ?
O1 Ru1 N4 C22 34.7(4) . . . . ?
Cl1 Ru1 N4 C22 -143.6(4) . . . . ?
N2 Ru1 O1 C13 130.3(4) . . . . ?
N1 Ru1 O1 C13 51.8(4) . . . . ?
N3 Ru1 O1 C13 -149.1(4) . . . . ?
N4 Ru1 O1 C13 -50.3(4) . . . . ?
Cl1 Ru1 O1 C13 -8(3) . . . . ?
C5 N1 C1 C2 -2.5(7) . . . . ?
Ru1 N1 C1 C2 -176.4(4) . . . . ?
N1 C1 C2 C3 2.5(8) . . . . ?
C1 C2 C3 C4 0.6(8) . . . . ?
C2 C3 C4 C5 -3.5(8) . . . . ?
C3 C4 C5 N1 3.5(8) . . . . ?
C3 C4 C5 C6 173.5(5) . . . . ?
C1 N1 C5 C4 -0.5(7) . . . . ?
Ru1 N1 C5 C4 174.3(4) . . . . ?
C1 N1 C5 C6 -171.6(4) . . . . ?
Ru1 N1 C5 C6 3.1(5) . . . . ?
C7 N2 C6 C6 -12.7(9) . . . 2_656 ?
Ru1 N2 C6 C6 175.9(5) . . . 2_656 ?
C7 N2 C6 C5 161.8(5) . . . . ?
Ru1 N2 C6 C5 -9.7(6) . . . . ?
C4 C5 C6 N2 -167.1(5) . . . . ?
N1 C5 C6 N2 3.6(6) . . . . ?
C4 C5 C6 C6 6.4(10) . . . 2_656 ?
N1 C5 C6 C6 177.1(6) . . . 2_656 ?
C6 N2 C7 C7 -12.2(8) . . . 2_656 ?
Ru1 N2 C7 C7 159.7(5) . . . 2_656 ?
C6 N2 C7 C8 165.2(5) . . . . ?
Ru1 N2 C7 C8 -23.0(6) . . . . ?
C12 N3 C8 C9 -0.7(7) . . . . ?
Ru1 N3 C8 C9 171.6(4) . . . . ?
C12 N3 C8 C7 -170.4(4) . . . . ?
Ru1 N3 C8 C7 1.9(5) . . . . ?
N2 C7 C8 C9 -156.5(5) . . . . ?
C7 C7 C8 C9 20.4(10) 2_656 . . . ?
N2 C7 C8 N3 13.0(6) . . . . ?
C7 C7 C8 N3 -170.1(6) 2_656 . . . ?
N3 C8 C9 C10 1.2(8) . . . . ?
C7 C8 C9 C10 169.9(5) . . . . ?
C8 C9 C10 C11 -0.4(8) . . . . ?
C9 C10 C11 C12 -1.0(8) . . . . ?
C8 N3 C12 C11 -0.8(7) . . . . ?
Ru1 N3 C12 C11 -171.4(4) . . . . ?
C10 C11 C12 N3 1.7(8) . . . . ?
Ru1 O1 C13 O2 -140.7(5) . . . . ?
Ru1 O1 C13 C14 41.5(7) . . . . ?
O2 C13 C14 C15 -8.5(8) . . . . ?
O1 C13 C14 C15 169.4(5) . . . . ?
O2 C13 C14 C22 -178.5(5) . . . . ?
O1 C13 C14 C22 -0.6(8) . . . . ?
C22 C14 C15 C16 0.3(8) . . . . ?
C13 C14 C15 C16 -170.4(5) . . . . ?
C14 C15 C16 C17 2.6(9) . . . . ?
C15 C16 C17 C18 -2.0(9) . . . . ?
C16 C17 C18 C19 -179.9(5) . . . . ?
C16 C17 C18 C22 -1.3(8) . . . . ?
C17 C18 C19 C20 179.2(5) . . . . ?
C22 C18 C19 C20 0.6(8) . . . . ?
C18 C19 C20 C21 -3.6(8) . . . . ?
C22 N4 C21 C20 2.9(8) . . . . ?
Ru1 N4 C21 C20 -170.6(4) . . . . ?
C19 C20 C21 N4 1.9(9) . . . . ?
C21 N4 C22 C14 175.7(5) . . . . ?
Ru1 N4 C22 C14 -11.2(7) . . . . ?
C21 N4 C22 C18 -5.8(7) . . . . ?
Ru1 N4 C22 C18 167.4(4) . . . . ?
C15 C14 C22 N4 175.0(5) . . . . ?
C13 C14 C22 N4 -15.3(8) . . . . ?
C15 C14 C22 C18 -3.6(8) . . . . ?
C13 C14 C22 C18 166.2(5) . . . . ?
C19 C18 C22 N4 4.2(8) . . . . ?
C17 C18 C22 N4 -174.5(5) . . . . ?
C19 C18 C22 C14 -177.2(5) . . . . ?
C17 C18 C22 C14 4.2(8) . . . . ?
C333 C333 C222 C111 -126(5) 5_667 . . . ?
C333 C222 C111 C111 81(6) . . . 2_656 ?
