#------------------------------------------------------------------------------
#$Date: 2025-05-14 13:17:04 +0300 (Wed, 14 May 2025) $
#$Revision: 299663 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/02/1570273.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_1570273
loop_
_publ_author_name
'Orts-Arroyo, Marta'
'Monfort, Joel'
'Moliner, Nicolás'
'Martínez-Lillo, José'
_publ_section_title
;
 Enantiomeric Complexes Based on Ruthenium(III) and 2,2'-Biimidazole:
 X-ray Structure and Magnetic Properties.
;
_journal_issue                   20
_journal_name_full               'Molecules (Basel, Switzerland)'
_journal_page_first              7213
_journal_paper_doi               10.3390/molecules28207213
_journal_volume                  28
_journal_year                    2023
_chemical_formula_moiety         'C12 H12 Cl2 N8 Ru, Cl, 2(H2O)'
_chemical_formula_sum            'C12 H16 Cl3 N8 O2 Ru'
_chemical_formula_weight         511.71
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_cell_angle_alpha                90
_cell_angle_beta                 115.5550(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.4566(6)
_cell_length_b                   11.3171(4)
_cell_length_c                   13.7498(6)
_cell_measurement_reflns_used    1532
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      26.72
_cell_measurement_theta_min      3.48
_cell_volume                     1889.10(14)
_computing_cell_refinement       'Bruker APEX'
_computing_data_collection       'Bruker APEX'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    DIAMOND
_computing_publication_material  DIAMOND
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'D8 VENTURE PHOTON II'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0260
_diffrn_reflns_av_unetI/netI     0.0159
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            77971
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.593
_diffrn_reflns_theta_min         2.524
_exptl_absorpt_coefficient_mu    1.279
_exptl_absorpt_correction_T_max  0.89
_exptl_absorpt_correction_T_min  0.78
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'dark blue'
_exptl_crystal_density_diffrn    1.785
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             1004
_exptl_crystal_size_max          0.446
_exptl_crystal_size_mid          0.125
_exptl_crystal_size_min          0.092
_exptl_transmission_factor_max   0.81
_exptl_transmission_factor_min   0.64
_refine_diff_density_max         3.212
_refine_diff_density_min         -1.752
_refine_diff_density_rms         0.162
_refine_ls_abs_structure_details
;
 Refined as a perfect inversion twin.
;
_refine_ls_abs_structure_Flack   0.5
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         10570
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0420
_refine_ls_R_factor_gt           0.0413
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0897P)²+3.4960P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1269
_refine_ls_wR_factor_ref         0.1281
_reflns_Friedel_coverage         0.911
_reflns_Friedel_fraction_full    0.993
_reflns_Friedel_fraction_max     0.994
_reflns_number_gt                10368
_reflns_number_total             10570
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            2286942.cif
_cod_data_source_block           Compound_2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/current/MDPI/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

2025-05-14
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C24 H24 Cl6 N16 O4 Ru2'
_cod_original_formula_weight         1015.43
_cod_original_formula_moiety         '2(C12 H12 Cl2 N8 Ru), 2(Cl), 3(O), H2O'
_cod_original_formula_units_Z            2
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               1570273
_shelx_shelxl_version_number     2018/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 1.11198(3) 0.48449(3) 0.94448(3) 0.01683(11) Uani 1 1 d . . . . .
Ru2 Ru 0.61732(3) 1.04954(3) 1.45513(3) 0.01676(11) Uani 1 1 d . . . . .
O1W O 0.6156(4) 0.7138(5) 0.9220(4) 0.0364(11) Uani 1 1 d . . . . .
O2W O 0.5294(4) 0.8702(5) 1.0118(4) 0.0334(10) Uani 1 1 d . . . . .
O3W O 1.0724(6) 0.7203(7) 0.4861(5) 0.0529(16) Uani 1 1 d . . . . .
O4W O 0.6886(6) 0.5338(9) 0.2845(6) 0.065(2) Uani 1 1 d . . . . .
Cl1 Cl 1.28850(12) 0.56729(16) 1.02919(11) 0.0271(3) Uani 1 1 d . . . . .
Cl2 Cl 1.15508(13) 0.30774(14) 1.04510(12) 0.0261(3) Uani 1 1 d . . . . .
Cl3 Cl 0.79790(12) 0.97206(17) 1.53360(10) 0.0281(3) Uani 1 1 d . . . . .
Cl4 Cl 0.67290(14) 1.23042(14) 1.54484(12) 0.0286(3) Uani 1 1 d . . . . .
Cl5 Cl 0.69874(15) 0.4851(2) 1.06407(16) 0.0423(4) Uani 1 1 d . . . . .
Cl6 Cl 0.87364(18) 0.4898(3) 0.5051(2) 0.0587(6) Uani 1 1 d . . . . .
N1 N 1.1435(4) 0.4150(5) 0.8218(4) 0.0181(8) Uani 1 1 d . . . . .
N2 N 1.1414(5) 0.4317(6) 0.6626(4) 0.0313(12) Uani 1 1 d . . . . .
H2B H 1.131189 0.461528 0.599843 0.038 Uiso 1 1 calc R U . . .
N3 N 1.0663(4) 0.6203(5) 0.8355(5) 0.0248(10) Uani 1 1 d . . . . .
N4 N 1.0444(5) 0.6910(5) 0.6775(5) 0.0364(14) Uani 1 1 d . . . . .
H4B H 1.044170 0.695305 0.613469 0.044 Uiso 1 1 calc R U . . .
N5 N 1.0662(4) 0.5484(6) 1.0592(4) 0.0237(9) Uani 1 1 d . . . . .
N6 N 0.9438(5) 0.5510(6) 1.1261(4) 0.0277(10) Uani 1 1 d . . . . .
H6B H 0.881842 0.539768 1.131806 0.033 Uiso 1 1 calc R U . . .
N7 N 0.9490(4) 0.4398(4) 0.8787(4) 0.0206(9) Uani 1 1 d . . . . .
N8 N 0.7930(4) 0.4288(6) 0.8939(5) 0.0292(11) Uani 1 1 d . . . . .
H8B H 0.744147 0.435692 0.920208 0.035 Uiso 1 1 calc R U . . .
N9 N 0.6363(4) 1.1093(4) 1.3214(4) 0.0177(8) Uani 1 1 d . . . . .
N10 N 0.6255(4) 1.0720(5) 1.1596(4) 0.0242(10) Uani 1 1 d . . . . .
H10B H 0.612569 1.035196 1.098962 0.029 Uiso 1 1 calc R U . . .
N11 N 0.5636(4) 0.9058(4) 1.3549(4) 0.0204(9) Uani 1 1 d . . . . .
N12 N 0.5212(4) 0.8241(5) 1.1976(4) 0.0269(11) Uani 1 1 d . . . . .
H12B H 0.512996 0.813142 1.131169 0.032 Uiso 1 1 calc R U . . .
N13 N 0.5833(4) 0.9847(5) 1.5784(4) 0.0228(9) Uani 1 1 d . . . . .
N14 N 0.4677(5) 0.9683(5) 1.6520(5) 0.0293(12) Uani 1 1 d . . . . .
H14B H 0.406799 0.970083 1.660878 0.035 Uiso 1 1 calc R U . . .
N15 N 0.4533(4) 1.0917(4) 1.4002(4) 0.0206(9) Uani 1 1 d . . . . .
N16 N 0.3007(5) 1.0870(5) 1.4202(5) 0.0325(12) Uani 1 1 d . . . . .
H16B H 0.254067 1.074752 1.448382 0.039 Uiso 1 1 calc R U . . .
C1 C 1.1842(5) 0.3119(6) 0.7999(5) 0.0225(11) Uani 1 1 d . . . . .
H1A H 1.208198 0.244937 0.845937 0.027 Uiso 1 1 calc R U . . .
C2 C 1.1845(6) 0.3220(7) 0.7006(5) 0.0296(13) Uani 1 1 d . . . . .
H2A H 1.209398 0.264959 0.665344 0.036 Uiso 1 1 calc R U . . .
C3 C 1.1174(4) 0.4858(6) 0.7365(4) 0.0218(10) Uani 1 1 d . . . . .
C4 C 1.0247(6) 0.7338(6) 0.8255(7) 0.0358(16) Uani 1 1 d . . . . .
H4A H 1.008322 0.774112 0.877491 0.043 Uiso 1 1 calc R U . . .
C5 C 1.0111(6) 0.7780(6) 0.7277(7) 0.0393(17) Uani 1 1 d . . . . .
H5A H 0.983954 0.854075 0.699621 0.047 Uiso 1 1 calc R U . . .
C6 C 1.0770(5) 0.5991(6) 0.7452(5) 0.0258(13) Uani 1 1 d . . . . .
C7 C 1.1148(6) 0.5986(6) 1.1601(5) 0.0288(13) Uani 1 1 d . . . . .
H7A H 1.188383 0.626754 1.194510 0.035 Uiso 1 1 calc R U . . .
C8 C 1.0395(6) 0.6014(7) 1.2034(6) 0.0335(14) Uani 1 1 d . . . . .
H8A H 1.050667 0.631642 1.271826 0.040 Uiso 1 1 calc R U . . .
C9 C 0.9635(5) 0.5226(5) 1.0416(5) 0.0230(11) Uani 1 1 d . . . . .
C10 C 0.8696(5) 0.3886(6) 0.7857(5) 0.0263(12) Uani 1 1 d . . . . .
H10A H 0.880612 0.363790 0.725016 0.032 Uiso 1 1 calc R U . . .
C11 C 0.7745(5) 0.3802(6) 0.7957(6) 0.0307(13) Uani 1 1 d . . . . .
H11A H 0.707408 0.346883 0.744650 0.037 Uiso 1 1 calc R U . . .
C12 C 0.8977(5) 0.4637(5) 0.9419(5) 0.0222(11) Uani 1 1 d . . . . .
C13 C 0.6761(5) 1.2056(6) 1.2894(5) 0.0226(11) Uani 1 1 d . . . . .
H13A H 0.703429 1.275943 1.329913 0.027 Uiso 1 1 calc R U . . .
C14 C 0.6698(5) 1.1832(6) 1.1897(5) 0.0251(12) Uani 1 1 d . . . . .
H14A H 0.691987 1.234962 1.148291 0.030 Uiso 1 1 calc R U . . .
C15 C 0.6060(5) 1.0308(6) 1.2413(4) 0.0195(11) Uani 1 1 d . . . . .
C16 C 0.5184(5) 0.7968(5) 1.3545(6) 0.0273(12) Uani 1 1 d . . . . .
H16A H 0.507193 0.763460 1.412443 0.033 Uiso 1 1 calc R U . . .
C17 C 0.4928(6) 0.7456(6) 1.2589(6) 0.0311(13) Uani 1 1 d . . . . .
H17A H 0.460982 0.669571 1.237128 0.037 Uiso 1 1 calc R U . . .
C18 C 0.5639(5) 0.9203(5) 1.2593(5) 0.0209(10) Uani 1 1 d . . . . .
C19 C 0.6397(7) 0.9389(7) 1.6803(5) 0.0329(14) Uani 1 1 d . . . . .
H19A H 0.715409 0.917554 1.713235 0.039 Uiso 1 1 calc R U . . .
C20 C 0.5691(7) 0.9298(6) 1.7249(6) 0.0334(14) Uani 1 1 d . . . . .
H20A H 0.586404 0.901319 1.795358 0.040 Uiso 1 1 calc R U . . .
C21 C 0.4798(5) 1.0029(5) 1.5637(5) 0.0229(11) Uani 1 1 d . . . . .
C22 C 0.3722(5) 1.1415(6) 1.3112(5) 0.0278(12) Uani 1 1 d . . . . .
H22A H 0.380013 1.172728 1.250771 0.033 Uiso 1 1 calc R U . . .
C23 C 0.2780(6) 1.1382(7) 1.3250(7) 0.0364(15) Uani 1 1 d . . . . .
H23A H 0.208150 1.167171 1.275591 0.044 Uiso 1 1 calc R U . . .
C24 C 0.4079(5) 1.0577(6) 1.4644(5) 0.0236(10) 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'
Cl Cl 0.1484 0.1585 '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'
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 N3 86.3(2) . . ?
N7 Ru1 N5 78.9(2) . . ?
N3 Ru1 N5 101.7(2) . . ?
N7 Ru1 N1 95.95(19) . . ?
N3 Ru1 N1 77.9(2) . . ?
N5 Ru1 N1 174.8(2) . . ?
N7 Ru1 Cl1 169.64(15) . . ?
N3 Ru1 Cl1 89.05(15) . . ?
N5 Ru1 Cl1 93.02(15) . . ?
N1 Ru1 Cl1 92.13(13) . . ?
N7 Ru1 Cl2 89.71(15) . . ?
N3 Ru1 Cl2 170.63(16) . . ?
N5 Ru1 Cl2 85.85(18) . . ?
N1 Ru1 Cl2 94.08(15) . . ?
Cl1 Ru1 Cl2 96.18(6) . . ?
N11 Ru2 N15 85.8(2) . . ?
N11 Ru2 N13 97.5(2) . . ?
N15 Ru2 N13 78.5(2) . . ?
N11 Ru2 N9 78.8(2) . . ?
N15 Ru2 N9 97.0(2) . . ?
N13 Ru2 N9 174.5(2) . . ?
N11 Ru2 Cl4 171.00(14) . . ?
N15 Ru2 Cl4 92.23(15) . . ?
N13 Ru2 Cl4 90.68(17) . . ?
N9 Ru2 Cl4 92.78(14) . . ?
N11 Ru2 Cl3 90.44(14) . . ?
N15 Ru2 Cl3 169.60(15) . . ?
N13 Ru2 Cl3 92.40(15) . . ?
N9 Ru2 Cl3 91.73(14) . . ?
Cl4 Ru2 Cl3 92.98(6) . . ?
C3 N1 C1 107.2(5) . . ?
C3 N1 Ru1 114.8(4) . . ?
C1 N1 Ru1 138.0(4) . . ?
C3 N2 C2 109.0(5) . . ?
C3 N2 H2B 125.5 . . ?
C2 N2 H2B 125.5 . . ?
C6 N3 C4 106.1(6) . . ?
C6 N3 Ru1 115.3(4) . . ?
C4 N3 Ru1 138.6(6) . . ?
C6 N4 C5 106.6(6) . . ?
C6 N4 H4B 126.7 . . ?
C5 N4 H4B 126.7 . . ?
C9 N5 C7 106.1(5) . . ?
C9 N5 Ru1 114.5(4) . . ?
C7 N5 Ru1 138.6(4) . . ?
C9 N6 C8 107.3(5) . . ?
C9 N6 H6B 126.3 . . ?
C8 N6 H6B 126.3 . . ?
C12 N7 C10 105.8(5) . . ?
C12 N7 Ru1 114.6(4) . . ?
C10 N7 Ru1 139.6(4) . . ?
C12 N8 C11 108.0(5) . . ?
C12 N8 H8B 126.0 . . ?
C11 N8 H8B 126.0 . . ?
C15 N9 C13 106.7(5) . . ?
C15 N9 Ru2 113.8(4) . . ?
C13 N9 Ru2 139.4(4) . . ?
C15 N10 C14 106.4(5) . . ?
C15 N10 H10B 126.8 . . ?
C14 N10 H10B 126.8 . . ?
C18 N11 C16 107.4(5) . . ?
C18 N11 Ru2 114.6(4) . . ?
C16 N11 Ru2 137.8(5) . . ?
C18 N12 C17 106.8(6) . . ?
C18 N12 H12B 126.6 . . ?
C17 N12 H12B 126.6 . . ?
C21 N13 C19 107.1(5) . . ?
C21 N13 Ru2 114.0(4) . . ?
C19 N13 Ru2 138.4(5) . . ?
C21 N14 C20 106.4(6) . . ?
C21 N14 H14B 126.8 . . ?
C20 N14 H14B 126.8 . . ?
C24 N15 C22 107.3(5) . . ?
C24 N15 Ru2 114.6(4) . . ?
C22 N15 Ru2 137.9(5) . . ?
C23 N16 C24 107.3(6) . . ?
C23 N16 H16B 126.4 . . ?
C24 N16 H16B 126.4 . . ?
C2 C1 N1 108.6(6) . . ?
C2 C1 H1A 125.7 . . ?
N1 C1 H1A 125.7 . . ?
C1 C2 N2 105.7(5) . . ?
C1 C2 H2A 127.1 . . ?
N2 C2 H2A 127.1 . . ?
N1 C3 N2 109.5(6) . . ?
N1 C3 C6 115.7(5) . . ?
N2 C3 C6 134.8(6) . . ?
C5 C4 N3 108.2(7) . . ?
C5 C4 H4A 125.9 . . ?
N3 C4 H4A 125.9 . . ?
C4 C5 N4 107.2(6) . . ?
C4 C5 H5A 126.4 . . ?
N4 C5 H5A 126.4 . . ?
N3 C6 N4 112.0(6) . . ?
N3 C6 C3 116.2(5) . . ?
N4 C6 C3 131.8(7) . . ?
N5 C7 C8 109.1(6) . . ?
N5 C7 H7A 125.4 . . ?
C8 C7 H7A 125.4 . . ?
C7 C8 N6 105.7(6) . . ?
C7 C8 H8A 127.1 . . ?
N6 C8 H8A 127.1 . . ?
N5 C9 N6 111.7(6) . . ?
N5 C9 C12 116.1(5) . . ?
N6 C9 C12 132.1(6) . . ?
C11 C10 N7 108.8(6) . . ?
C11 C10 H10A 125.6 . . ?
N7 C10 H10A 125.6 . . ?
C10 C11 N8 107.1(5) . . ?
C10 C11 H11A 126.5 . . ?
N8 C11 H11A 126.5 . . ?
N8 C12 N7 110.3(6) . . ?
N8 C12 C9 134.1(6) . . ?
N7 C12 C9 115.6(5) . . ?
C14 C13 N9 108.2(6) . . ?
C14 C13 H13A 125.9 . . ?
N9 C13 H13A 125.9 . . ?
C13 C14 N10 107.6(5) . . ?
C13 C14 H14A 126.2 . . ?
N10 C14 H14A 126.2 . . ?
N9 C15 N10 111.0(6) . . ?
N9 C15 C18 116.1(5) . . ?
N10 C15 C18 132.8(5) . . ?
C17 C16 N11 108.5(6) . . ?
C17 C16 H16A 125.7 . . ?
N11 C16 H16A 125.7 . . ?
C16 C17 N12 107.3(6) . . ?
C16 C17 H17A 126.3 . . ?
N12 C17 H17A 126.3 . . ?
N11 C18 N12 109.9(6) . . ?
N11 C18 C15 116.6(5) . . ?
N12 C18 C15 133.5(6) . . ?
C20 C19 N13 107.8(7) . . ?
C20 C19 H19A 126.1 . . ?
N13 C19 H19A 126.1 . . ?
C19 C20 N14 108.7(6) . . ?
C19 C20 H20A 125.7 . . ?
N14 C20 H20A 125.7 . . ?
N13 C21 N14 110.0(6) . . ?
N13 C21 C24 116.3(5) . . ?
N14 C21 C24 133.6(6) . . ?
C23 C22 N15 107.3(6) . . ?
C23 C22 H22A 126.4 . . ?
N15 C22 H22A 126.4 . . ?
N16 C23 C22 108.3(6) . . ?
N16 C23 H23A 125.9 . . ?
C22 C23 H23A 125.9 . . ?
N15 C24 N16 109.8(6) . . ?
N15 C24 C21 116.4(5) . . ?
N16 C24 C21 133.7(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 2.043(5) . ?
Ru1 N3 2.048(5) . ?
Ru1 N5 2.057(5) . ?
Ru1 N1 2.064(5) . ?
Ru1 Cl1 2.3430(14) . ?
Ru1 Cl2 2.3579(15) . ?
Ru2 N11 2.052(5) . ?
Ru2 N15 2.058(5) . ?
Ru2 N13 2.071(5) . ?
Ru2 N9 2.075(5) . ?
Ru2 Cl4 2.3400(16) . ?
Ru2 Cl3 2.3614(15) . ?
N1 C3 1.336(8) . ?
N1 C1 1.377(8) . ?
N2 C3 1.340(8) . ?
N2 C2 1.375(10) . ?
N2 H2B 0.8800 . ?
N3 C6 1.331(9) . ?
N3 C4 1.384(8) . ?
N4 C6 1.338(8) . ?
N4 C5 1.383(11) . ?
N4 H4B 0.8800 . ?
N5 C9 1.329(8) . ?
N5 C7 1.376(8) . ?
N6 C9 1.337(8) . ?
N6 C8 1.390(10) . ?
N6 H6B 0.8800 . ?
N7 C12 1.350(8) . ?
N7 C10 1.391(7) . ?
N8 C12 1.332(8) . ?
N8 C11 1.378(9) . ?
N8 H8B 0.8800 . ?
N9 C15 1.334(7) . ?
N9 C13 1.368(8) . ?
N10 C15 1.343(7) . ?
N10 C14 1.378(9) . ?
N10 H10B 0.8800 . ?
N11 C18 1.326(8) . ?
N11 C16 1.374(8) . ?
N12 C18 1.347(7) . ?
N12 C17 1.388(9) . ?
N12 H12B 0.8800 . ?
N13 C21 1.334(8) . ?
N13 C19 1.375(8) . ?
N14 C21 1.350(7) . ?
N14 C20 1.370(11) . ?
N14 H14B 0.8800 . ?
N15 C24 1.328(8) . ?
N15 C22 1.361(8) . ?
N16 C23 1.340(10) . ?
N16 C24 1.343(8) . ?
N16 H16B 0.8800 . ?
C1 C2 1.373(9) . ?
C1 H1A 0.9500 . ?
C2 H2A 0.9500 . ?
C3 C6 1.418(10) . ?
C4 C5 1.372(12) . ?
C4 H4A 0.9500 . ?
C5 H5A 0.9500 . ?
C7 C8 1.379(10) . ?
C7 H7A 0.9500 . ?
C8 H8A 0.9500 . ?
C9 C12 1.436(8) . ?
C10 C11 1.349(9) . ?
C10 H10A 0.9500 . ?
C11 H11A 0.9500 . ?
C13 C14 1.361(9) . ?
C13 H13A 0.9500 . ?
C14 H14A 0.9500 . ?
C15 C18 1.437(9) . ?
C16 C17 1.339(10) . ?
C16 H16A 0.9500 . ?
C17 H17A 0.9500 . ?
C19 C20 1.339(10) . ?
C19 H19A 0.9500 . ?
C20 H20A 0.9500 . ?
C21 C24 1.430(9) . ?
C22 C23 1.360(10) . ?
C22 H22A 0.9500 . ?
C23 H23A 0.9500 . ?
