#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/82/7008241.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_7008241
loop_
_publ_author_name
'Patra, Srikanta'
'Sarkar, Biprajit'
'Ghumaan, Sandeep'
'Patil, Mahendra P.'
'Mobin, Shaikh M.'
'Sunoj, Raghavan B.'
'Kaim, Wolfgang'
'Lahiri, Goutam Kumar'
_publ_section_title
;
 Isomeric ruthenium terpyridine complexes [Ru(trpy)(L)Cl]n+ containing
 the unsymmetrically bidentate acceptor
 L=3-amino-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine. Synthesis,
 structures, electrochemistry, spectroscopy and DFT calculations.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1188
_journal_page_last               1194
_journal_paper_doi               10.1039/b500152h
_journal_year                    2005
_chemical_formula_sum            'C22 H21 Cl2 N10 O4.5 Ru'
_chemical_formula_weight         669.46
_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                94.398(7)
_cell_angle_beta                 104.293(8)
_cell_angle_gamma                112.925(10)
_cell_formula_units_Z            2
_cell_length_a                   8.8430(12)
_cell_length_b                   10.6290(11)
_cell_length_c                   15.7520(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      11.9800
_cell_measurement_theta_min      5.4800
_cell_volume                     1296.4(3)
_computing_cell_refinement       'Argus (Nonius, MACH3 software)'
_computing_data_collection       'Argus (Nonius, MACH3 software)'
_computing_data_reduction        'Maxus (Nonius software)'
_computing_molecular_graphics    Ortep
_computing_publication_material  Shelx97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Nonius MACH3'
_diffrn_measurement_method       ω/q-scan
_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  0.0234
_diffrn_reflns_av_sigmaI/netI    0.0573
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            4895
_diffrn_reflns_theta_full        24.94
_diffrn_reflns_theta_max         24.94
_diffrn_reflns_theta_min         1.36
_diffrn_standards_decay_%        <3%
_diffrn_standards_interval_time  3600
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.865
_exptl_absorpt_correction_T_max  0.7815
_exptl_absorpt_correction_T_min  0.7236
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            Purple
_exptl_crystal_density_diffrn    1.715
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             674
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.869
_refine_diff_density_min         -0.760
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     445
_refine_ls_number_reflns         4568
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0786
_refine_ls_R_factor_gt           0.0443
_refine_ls_shift/su_max          1.178
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0702P)²+0.5324P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1066
_refine_ls_wR_factor_ref         0.1207
_reflns_number_gt                3467
_reflns_number_total             4568
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b500152h.txt
_cod_data_source_block           gk196a
_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 'Psi-scan' changed to
'psi-scan' 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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0702P)^2^+0.5324P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0702P)^2^+0.5324P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1296.4(2)
_cod_original_formula_sum        'C22 H21 Cl2 N10 O4.50 Ru'
_cod_database_code               7008241
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.86991(5) 0.89866(4) 0.71656(3) 0.03044(15) Uani 1 d . . .
Cl1 Cl 0.64520(17) 0.77421(15) 0.57660(9) 0.0434(3) Uani 1 d . . .
N1 N 0.8208(5) 0.7380(4) 0.7913(3) 0.0366(10) Uani 1 d . . .
N2 N 0.9359(6) 0.7830(5) 0.8755(3) 0.0387(10) Uani 1 d . . .
N3 N 1.0476(5) 0.9909(4) 0.8294(3) 0.0324(9) Uani 1 d . . .
N4 N 1.1612(6) 1.1227(5) 0.8454(3) 0.0394(10) Uani 1 d . . .
N5 N 1.1671(7) 0.9718(5) 0.9775(3) 0.0578(14) Uani 1 d . . .
N6 N 1.2821(7) 1.1040(5) 0.9956(3) 0.0570(14) Uani 1 d . . .
N7 N 1.3897(9) 1.3046(6) 0.9431(4) 0.0601(16) Uani 1 d . . .
N8 N 1.0475(5) 0.8729(5) 0.6591(3) 0.0384(10) Uani 1 d . . .
N9 N 0.9392(5) 1.0658(4) 0.6645(3) 0.0336(9) Uani 1 d . . .
N10 N 0.7167(5) 0.9874(4) 0.7527(3) 0.0336(9) Uani 1 d . . .
C1 C 0.5708(11) 0.5200(8) 0.7085(6) 0.0594(18) Uani 1 d . . .
C2 C 0.7134(7) 0.6083(6) 0.7886(4) 0.0426(13) Uani 1 d . . .
C3 C 0.7612(9) 0.5714(7) 0.8711(4) 0.0507(16) Uani 1 d . . .
C4 C 0.9017(8) 0.6802(6) 0.9257(4) 0.0471(14) Uani 1 d . . .
C5 C 1.0110(11) 0.6943(9) 1.0174(5) 0.0611(19) Uani 1 d . . .
C6 C 1.0570(7) 0.9191(5) 0.8971(3) 0.0360(12) Uani 1 d . . .
C7 C 1.2743(7) 1.1728(6) 0.9289(3) 0.0419(13) Uani 1 d . . .
C8 C 1.0958(8) 0.7683(7) 0.6567(4) 0.0458(14) Uani 1 d . . .
C9 C 1.2205(9) 0.7687(9) 0.6199(4) 0.0610(19) Uani 1 d . . .
C10 C 1.2983(9) 0.8783(9) 0.5825(4) 0.0613(19) Uani 1 d . . .
C11 C 1.2493(8) 0.9857(8) 0.5821(4) 0.0488(15) Uani 1 d . . .
C12 C 1.1235(7) 0.9820(6) 0.6209(3) 0.0390(12) Uani 1 d . . .
C13 C 1.0634(7) 1.0916(6) 0.6241(3) 0.0371(12) Uani 1 d . . .
C14 C 1.1200(8) 1.2135(7) 0.5921(4) 0.0505(15) Uani 1 d . . .
C15 C 1.0499(9) 1.3065(7) 0.6011(4) 0.0525(16) Uani 1 d . . .
C16 C 0.9247(9) 1.2782(6) 0.6428(4) 0.0477(14) Uani 1 d . . .
C17 C 0.8712(7) 1.1563(5) 0.6759(3) 0.0361(11) Uani 1 d . . .
C18 C 0.7465(7) 1.1118(6) 0.7268(3) 0.0380(12) Uani 1 d . . .
C19 C 0.6640(9) 1.1904(7) 0.7499(4) 0.0539(16) Uani 1 d . . .
C20 C 0.5535(9) 1.1430(7) 0.7992(4) 0.0553(17) Uani 1 d . . .
C21 C 0.5236(8) 1.0180(7) 0.8245(4) 0.0509(15) Uani 1 d . . .
C22 C 0.6080(7) 0.9428(6) 0.8000(4) 0.0404(13) Uani 1 d . . .
Cl2 Cl 1.2327(2) 0.59068(19) 0.83907(12) 0.0636(4) Uani 1 d . . .
O1 O 1.3056(13) 0.5403(9) 0.9014(8) 0.239(7) Uani 1 d . . .
O2 O 1.0564(7) 0.5153(7) 0.8087(4) 0.106(2) Uani 1 d . . .
O3 O 1.2944(13) 0.6018(10) 0.7660(7) 0.171(4) Uani 1 d . . .
O4 O 1.2723(9) 0.7308(7) 0.8742(5) 0.125(2) Uani 1 d . . .
O111 O 0.266(2) 0.5033(16) 0.4752(13) 0.064(4) Uani 0.50 d P . .
H14 H 1.197(8) 1.226(6) 0.567(4) 0.047(17) Uiso 1 d . . .
H8 H 1.058(6) 0.707(5) 0.685(3) 0.013(12) Uiso 1 d . . .
H1 H 0.514(7) 0.561(6) 0.686(4) 0.034(16) Uiso 1 d . . .
H16 H 0.879(7) 1.339(6) 0.652(4) 0.048(16) Uiso 1 d . . .
H15 H 1.077(8) 1.386(7) 0.581(4) 0.055(18) Uiso 1 d . . .
H5 H 0.957(8) 0.627(7) 1.037(4) 0.05(2) Uiso 1 d . . .
H22 H 0.593(6) 0.861(6) 0.815(3) 0.034(14) Uiso 1 d . . .
H19 H 0.692(7) 1.270(6) 0.738(4) 0.036(15) Uiso 1 d . . .
H3 H 0.710(8) 0.496(6) 0.882(4) 0.046(17) Uiso 1 d . . .
H5B H 1.039(12) 0.787(10) 1.062(6) 0.12(3) Uiso 1 d . . .
H7N H 1.461(9) 1.334(7) 0.982(5) 0.05(2) Uiso 1 d . . .
H21 H 0.454(8) 0.977(7) 0.864(4) 0.07(2) Uiso 1 d . . .
H5A H 1.129(11) 0.714(9) 1.019(5) 0.10(3) Uiso 1 d . . .
H1A H 0.618(11) 0.487(9) 0.663(6) 0.10(3) Uiso 1 d . . .
H9 H 1.253(7) 0.703(6) 0.622(4) 0.044(16) Uiso 1 d . . .
H20 H 0.507(8) 1.194(6) 0.818(4) 0.054(18) Uiso 1 d . . .
H10 H 1.377(9) 0.876(7) 0.558(4) 0.07(2) Uiso 1 d . . .
H7N` H 1.355(11) 1.368(9) 0.905(6) 0.10(3) Uiso 1 d . . .
H11 H 1.290(9) 1.048(7) 0.559(4) 0.06(2) Uiso 1 d . . .
H1B H 0.496(11) 0.461(9) 0.723(5) 0.09(3) Uiso 1 d . . .
H111 H 0.291(10) 0.537(7) 0.471(5) 0.000(18) Uiso 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'
O O 0.0106 0.0060 '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'
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
N3 Ru1 N9 93.11(17) . . ?
N3 Ru1 N10 90.72(16) . . ?
N9 Ru1 N10 79.95(17) . . ?
N3 Ru1 N8 91.03(16) . . ?
N9 Ru1 N8 79.30(18) . . ?
N10 Ru1 N8 159.24(17) . . ?
N3 Ru1 N1 78.38(17) . . ?
N9 Ru1 N1 171.36(16) . . ?
N10 Ru1 N1 98.48(16) . . ?
N8 Ru1 N1 102.13(17) . . ?
N3 Ru1 Cl1 177.76(13) . . ?
N9 Ru1 Cl1 89.04(12) . . ?
N10 Ru1 Cl1 90.24(12) . . ?
N8 Ru1 Cl1 88.79(12) . . ?
N1 Ru1 Cl1 99.48(12) . . ?
C2 N1 N2 105.8(4) . . ?
C2 N1 Ru1 143.2(4) . . ?
N2 N1 Ru1 110.9(3) . . ?
N1 N2 C6 117.3(4) . . ?
N1 N2 C4 111.4(5) . . ?
C6 N2 C4 131.3(5) . . ?
N4 N3 C6 117.4(4) . . ?
N4 N3 Ru1 123.4(3) . . ?
C6 N3 Ru1 119.2(4) . . ?
N3 N4 C7 116.0(4) . . ?
C6 N5 N6 119.0(5) . . ?
C7 N6 N5 115.8(5) . . ?
C7 N7 H7N 121(6) . . ?
C7 N7 H7N` 117(5) . . ?
H7N N7 H7N` 119(8) . . ?
C8 N8 C12 118.1(5) . . ?
C8 N8 Ru1 129.2(4) . . ?
C12 N8 Ru1 112.7(3) . . ?
C17 N9 C13 121.9(4) . . ?
C17 N9 Ru1 118.9(3) . . ?
C13 N9 Ru1 119.0(4) . . ?
C22 N10 C18 119.1(5) . . ?
C22 N10 Ru1 128.9(4) . . ?
C18 N10 Ru1 111.9(3) . . ?
C2 C1 H1 112(4) . . ?
C2 C1 H1A 110(5) . . ?
H1 C1 H1A 110(6) . . ?
C2 C1 H1B 110(6) . . ?
H1 C1 H1B 97(7) . . ?
H1A C1 H1B 117(8) . . ?
N1 C2 C3 109.3(5) . . ?
N1 C2 C1 123.4(6) . . ?
C3 C2 C1 127.3(6) . . ?
C4 C3 C2 108.9(5) . . ?
C4 C3 H3 127(4) . . ?
C2 C3 H3 124(4) . . ?
C3 C4 N2 104.7(5) . . ?
C3 C4 C5 131.3(6) . . ?
N2 C4 C5 124.0(6) . . ?
C4 C5 H5 106(5) . . ?
C4 C5 H5B 114(5) . . ?
H5 C5 H5B 109(7) . . ?
C4 C5 H5A 112(5) . . ?
H5 C5 H5A 119(7) . . ?
H5B C5 H5A 97(7) . . ?
N5 C6 N3 124.8(5) . . ?
N5 C6 N2 121.0(5) . . ?
N3 C6 N2 114.2(4) . . ?
N6 C7 N7 118.1(5) . . ?
N6 C7 N4 126.9(5) . . ?
N7 C7 N4 115.0(5) . . ?
N8 C8 C9 122.7(7) . . ?
N8 C8 H8 118(3) . . ?
C9 C8 H8 119(3) . . ?
C10 C9 C8 119.5(7) . . ?
C10 C9 H9 119(4) . . ?
C8 C9 H9 121(4) . . ?
C9 C10 C11 119.3(6) . . ?
C9 C10 H10 118(5) . . ?
C11 C10 H10 122(5) . . ?
C10 C11 C12 119.5(7) . . ?
C10 C11 H11 121(5) . . ?
C12 C11 H11 120(5) . . ?
N8 C12 C11 120.9(6) . . ?
N8 C12 C13 115.6(4) . . ?
C11 C12 C13 123.4(6) . . ?
N9 C13 C14 119.2(5) . . ?
N9 C13 C12 113.3(5) . . ?
C14 C13 C12 127.5(5) . . ?
C15 C14 C13 120.1(6) . . ?
C15 C14 H14 123(4) . . ?
C13 C14 H14 117(4) . . ?
C16 C15 C14 119.6(6) . . ?
C16 C15 H15 115(4) . . ?
C14 C15 H15 125(4) . . ?
C15 C16 C17 119.6(6) . . ?
C15 C16 H16 122(4) . . ?
C17 C16 H16 118(4) . . ?
N9 C17 C16 119.6(5) . . ?
N9 C17 C18 112.9(4) . . ?
C16 C17 C18 127.5(5) . . ?
N10 C18 C19 120.1(5) . . ?
N10 C18 C17 116.2(4) . . ?
C19 C18 C17 123.6(5) . . ?
C20 C19 C18 119.8(6) . . ?
C20 C19 H19 121(4) . . ?
C18 C19 H19 118(4) . . ?
C21 C20 C19 119.7(6) . . ?
C21 C20 H20 119(4) . . ?
C19 C20 H20 121(4) . . ?
C20 C21 C22 118.7(6) . . ?
C20 C21 H21 127(4) . . ?
C22 C21 H21 114(4) . . ?
N10 C22 C21 122.5(6) . . ?
N10 C22 H22 115(3) . . ?
C21 C22 H22 122(3) . . ?
O1 Cl2 O2 112.0(6) . . ?
O1 Cl2 O3 115.0(8) . . ?
O2 Cl2 O3 108.2(5) . . ?
O1 Cl2 O4 108.6(6) . . ?
O2 Cl2 O4 109.3(4) . . ?
O3 Cl2 O4 103.2(5) . . ?
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 N3 1.934(4) . ?
Ru1 N9 1.956(4) . ?
Ru1 N10 2.084(4) . ?
Ru1 N8 2.088(4) . ?
Ru1 N1 2.115(4) . ?
Ru1 Cl1 2.4291(14) . ?
N1 C2 1.325(7) . ?
N1 N2 1.372(6) . ?
N2 C6 1.376(7) . ?
N2 C4 1.380(7) . ?
N3 N4 1.326(6) . ?
N3 C6 1.363(6) . ?
N4 C7 1.357(7) . ?
N5 C6 1.312(7) . ?
N5 N6 1.332(7) . ?
N6 C7 1.328(7) . ?
N7 C7 1.335(8) . ?
N7 H7N 0.70(7) . ?
N7 H7N` 1.02(9) . ?
N8 C8 1.338(7) . ?
N8 C12 1.363(7) . ?
N9 C17 1.341(6) . ?
N9 C13 1.350(6) . ?
N10 C22 1.326(7) . ?
N10 C18 1.360(7) . ?
C1 C2 1.475(9) . ?
C1 H1 0.82(6) . ?
C1 H1A 1.02(9) . ?
C1 H1B 0.81(9) . ?
C2 C3 1.399(8) . ?
C3 C4 1.349(9) . ?
C3 H3 0.81(6) . ?
C4 C5 1.486(9) . ?
C5 H5 0.82(7) . ?
C5 H5B 1.07(10) . ?
C5 H5A 0.98(9) . ?
C8 C9 1.365(9) . ?
C8 H8 0.82(4) . ?
C9 C10 1.363(11) . ?
C9 H9 0.85(6) . ?
C10 C11 1.370(10) . ?
C10 H10 0.88(7) . ?
C11 C12 1.384(8) . ?
C11 H11 0.78(6) . ?
C12 C13 1.459(8) . ?
C13 C14 1.380(8) . ?
C14 C15 1.372(9) . ?
C14 H14 0.84(6) . ?
C15 C16 1.371(9) . ?
C15 H15 0.89(6) . ?
C16 C17 1.387(8) . ?
C16 H16 0.91(6) . ?
C17 C18 1.474(7) . ?
C18 C19 1.386(8) . ?
C19 C20 1.365(9) . ?
C19 H19 0.83(6) . ?
C20 C21 1.362(9) . ?
C20 H20 0.87(6) . ?
C21 C22 1.379(8) . ?
C21 H21 0.99(7) . ?
C22 H22 0.89(5) . ?
Cl2 O1 1.305(7) . ?
Cl2 O2 1.379(6) . ?
Cl2 O3 1.385(7) . ?
Cl2 O4 1.421(7) . ?
O111 H111 0.36(7) . ?
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
N3 Ru1 N1 C2 175.7(6) . . . . ?
N9 Ru1 N1 C2 165.6(10) . . . . ?
N10 Ru1 N1 C2 86.7(6) . . . . ?
N8 Ru1 N1 C2 -95.8(6) . . . . ?
Cl1 Ru1 N1 C2 -5.0(6) . . . . ?
N3 Ru1 N1 N2 -0.1(3) . . . . ?
N9 Ru1 N1 N2 -10.2(13) . . . . ?
N10 Ru1 N1 N2 -89.1(3) . . . . ?
N8 Ru1 N1 N2 88.5(3) . . . . ?
Cl1 Ru1 N1 N2 179.3(3) . . . . ?
C2 N1 N2 C6 -176.5(4) . . . . ?
Ru1 N1 N2 C6 0.9(5) . . . . ?
C2 N1 N2 C4 0.8(5) . . . . ?
Ru1 N1 N2 C4 178.2(3) . . . . ?
N9 Ru1 N3 N4 -1.1(4) . . . . ?
N10 Ru1 N3 N4 -81.1(4) . . . . ?
N8 Ru1 N3 N4 78.2(4) . . . . ?
N1 Ru1 N3 N4 -179.6(4) . . . . ?
Cl1 Ru1 N3 N4 164(3) . . . . ?
N9 Ru1 N3 C6 177.8(4) . . . . ?
N10 Ru1 N3 C6 97.8(4) . . . . ?
N8 Ru1 N3 C6 -102.9(4) . . . . ?
N1 Ru1 N3 C6 -0.7(3) . . . . ?
Cl1 Ru1 N3 C6 -18(3) . . . . ?
C6 N3 N4 C7 -0.8(6) . . . . ?
Ru1 N3 N4 C7 178.1(3) . . . . ?
C6 N5 N6 C7 0.3(9) . . . . ?
N3 Ru1 N8 C8 88.7(5) . . . . ?
N9 Ru1 N8 C8 -178.3(5) . . . . ?
N10 Ru1 N8 C8 -176.5(5) . . . . ?
N1 Ru1 N8 C8 10.4(5) . . . . ?
Cl1 Ru1 N8 C8 -89.0(5) . . . . ?
N3 Ru1 N8 C12 -90.0(3) . . . . ?
N9 Ru1 N8 C12 3.0(3) . . . . ?
N10 Ru1 N8 C12 4.8(7) . . . . ?
N1 Ru1 N8 C12 -168.3(3) . . . . ?
Cl1 Ru1 N8 C12 92.3(3) . . . . ?
N3 Ru1 N9 C17 -88.1(4) . . . . ?
N10 Ru1 N9 C17 2.1(4) . . . . ?
N8 Ru1 N9 C17 -178.5(4) . . . . ?
N1 Ru1 N9 C17 -78.1(12) . . . . ?
Cl1 Ru1 N9 C17 92.5(4) . . . . ?
N3 Ru1 N9 C13 86.9(4) . . . . ?
N10 Ru1 N9 C13 177.1(4) . . . . ?
N8 Ru1 N9 C13 -3.5(4) . . . . ?
N1 Ru1 N9 C13 96.9(11) . . . . ?
Cl1 Ru1 N9 C13 -92.5(4) . . . . ?
N3 Ru1 N10 C22 -85.2(5) . . . . ?
N9 Ru1 N10 C22 -178.2(5) . . . . ?
N8 Ru1 N10 C22 180.0(4) . . . . ?
N1 Ru1 N10 C22 -6.8(5) . . . . ?
Cl1 Ru1 N10 C22 92.8(5) . . . . ?
N3 Ru1 N10 C18 90.5(4) . . . . ?
N9 Ru1 N10 C18 -2.6(3) . . . . ?
N8 Ru1 N10 C18 -4.3(7) . . . . ?
N1 Ru1 N10 C18 168.8(3) . . . . ?
Cl1 Ru1 N10 C18 -91.5(3) . . . . ?
N2 N1 C2 C3 -0.3(6) . . . . ?
Ru1 N1 C2 C3 -176.2(4) . . . . ?
N2 N1 C2 C1 -178.6(6) . . . . ?
Ru1 N1 C2 C1 5.4(10) . . . . ?
N1 C2 C3 C4 -0.3(7) . . . . ?
C1 C2 C3 C4 177.9(6) . . . . ?
C2 C3 C4 N2 0.8(6) . . . . ?
C2 C3 C4 C5 -175.5(7) . . . . ?
N1 N2 C4 C3 -1.0(6) . . . . ?
C6 N2 C4 C3 175.8(5) . . . . ?
N1 N2 C4 C5 175.7(6) . . . . ?
C6 N2 C4 C5 -7.5(9) . . . . ?
N6 N5 C6 N3 -1.5(9) . . . . ?
N6 N5 C6 N2 -180.0(5) . . . . ?
N4 N3 C6 N5 1.8(7) . . . . ?
Ru1 N3 C6 N5 -177.2(4) . . . . ?
N4 N3 C6 N2 -179.6(4) . . . . ?
Ru1 N3 C6 N2 1.4(6) . . . . ?
N1 N2 C6 N5 177.2(5) . . . . ?
C4 N2 C6 N5 0.5(9) . . . . ?
N1 N2 C6 N3 -1.5(6) . . . . ?
C4 N2 C6 N3 -178.1(5) . . . . ?
N5 N6 C7 N7 -178.3(6) . . . . ?
N5 N6 C7 N4 0.5(9) . . . . ?
N3 N4 C7 N6 -0.2(8) . . . . ?
N3 N4 C7 N7 178.7(5) . . . . ?
C12 N8 C8 C9 1.8(8) . . . . ?
Ru1 N8 C8 C9 -176.8(5) . . . . ?
N8 C8 C9 C10 -1.1(10) . . . . ?
C8 C9 C10 C11 -0.3(10) . . . . ?
C9 C10 C11 C12 1.0(10) . . . . ?
C8 N8 C12 C11 -1.1(8) . . . . ?
Ru1 N8 C12 C11 177.8(4) . . . . ?
C8 N8 C12 C13 178.9(5) . . . . ?
Ru1 N8 C12 C13 -2.2(5) . . . . ?
C10 C11 C12 N8 -0.3(9) . . . . ?
C10 C11 C12 C13 179.7(5) . . . . ?
C17 N9 C13 C14 -1.3(7) . . . . ?
Ru1 N9 C13 C14 -176.1(4) . . . . ?
C17 N9 C13 C12 178.2(4) . . . . ?
Ru1 N9 C13 C12 3.3(6) . . . . ?
N8 C12 C13 N9 -0.5(6) . . . . ?
C11 C12 C13 N9 179.5(5) . . . . ?
N8 C12 C13 C14 178.9(5) . . . . ?
C11 C12 C13 C14 -1.1(9) . . . . ?
N9 C13 C14 C15 -0.3(9) . . . . ?
C12 C13 C14 C15 -179.6(5) . . . . ?
C13 C14 C15 C16 0.7(10) . . . . ?
C14 C15 C16 C17 0.4(9) . . . . ?
C13 N9 C17 C16 2.3(8) . . . . ?
Ru1 N9 C17 C16 177.2(4) . . . . ?
C13 N9 C17 C18 -176.1(4) . . . . ?
Ru1 N9 C17 C18 -1.2(6) . . . . ?
C15 C16 C17 N9 -1.9(8) . . . . ?
C15 C16 C17 C18 176.3(5) . . . . ?
C22 N10 C18 C19 0.1(8) . . . . ?
Ru1 N10 C18 C19 -176.0(4) . . . . ?
C22 N10 C18 C17 178.9(5) . . . . ?
Ru1 N10 C18 C17 2.7(6) . . . . ?
N9 C17 C18 N10 -1.1(7) . . . . ?
C16 C17 C18 N10 -179.4(5) . . . . ?
N9 C17 C18 C19 177.6(5) . . . . ?
C16 C17 C18 C19 -0.7(9) . . . . ?
N10 C18 C19 C20 0.4(9) . . . . ?
C17 C18 C19 C20 -178.3(6) . . . . ?
C18 C19 C20 C21 -0.8(10) . . . . ?
C19 C20 C21 C22 0.7(10) . . . . ?
C18 N10 C22 C21 -0.2(8) . . . . ?
Ru1 N10 C22 C21 175.2(4) . . . . ?
C20 C21 C22 N10 -0.2(10) . . . . ?
