#------------------------------------------------------------------------------
#$Date: 2020-10-06 13:40:21 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257896 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/93/7059311.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_7059311
loop_
_publ_author_name
'Vorobyev, Vasily'
'Mikhailov, Artem A.'
'Komarov, Vladislav Yu.'
'Makhinya, Alexander N.'
'Kostin, Gennadiy A.'
_publ_section_title
;
 Tuning the structure and photoinduced linkage isomerism of tetrapyridine
 nitrosyl ruthenium(ii) complexes by changing the trans-to-NO coordinated
 ligand
;
_journal_issue                   12
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              4762
_journal_page_last               4771
_journal_paper_doi               10.1039/C9NJ05862A
_journal_volume                  44
_journal_year                    2020
_chemical_formula_moiety         '(C20 H21 N5 O2 Ru 2+), 2(Cl O4 1-), (H2 O)'
_chemical_formula_sum            'C20 H23 Cl2 N5 O11 Ru'
_chemical_formula_weight         681.40
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2019-07-16
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_cell_angle_alpha                90
_cell_angle_beta                 121.5710(10)
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   26.4019(10)
_cell_length_b                   15.6825(6)
_cell_length_c                   22.9171(13)
_cell_measurement_reflns_used    9921
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.52
_cell_measurement_theta_min      2.80
_cell_volume                     8084.4(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0243
_diffrn_reflns_av_unetI/netI     0.0360
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            22640
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.700
_diffrn_reflns_theta_min         1.583
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.845
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6518
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2012/1 (Bruker,2012) was used for absorption correction. wR2(int) was 0.0434 before and 0.0360 after correction. The Ratio of minimum to maximum transmission is 0.8736. The λ/2 correction factor is 0.0015.'
_exptl_crystal_colour            'yellowish orange'
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.680
_exptl_crystal_description       plate
_exptl_crystal_F_000             4128
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.872
_refine_diff_density_min         -0.823
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     555
_refine_ls_number_reflns         10402
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0383
_refine_ls_R_factor_gt           0.0292
_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)+(0.0332P)²+8.4511P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0705
_refine_ls_wR_factor_ref         0.0756
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8810
_reflns_number_total             10402
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9nj05862a3.cif
_cod_data_source_block           am5162_150k
_cod_depositor_comments
;Adding full bibliography for 7059311.cif.

 Adding full bibliography for 7059311.cif.
;
_cod_database_code               7059311
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_max   0.891
_shelx_estimated_absorpt_t_min   0.798
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Others
 Sof(Cl4)=Sof(O41)=Sof(O42)=Sof(O43)=Sof(O44)=1-FVAR(1)
 Sof(Cl3)=Sof(O31)=Sof(O32)=Sof(O33)=Sof(O34)=FVAR(1)
 Fixed Sof: O2W(0.5)
3.a Aromatic/amide H refined with riding coordinates:
 C111(H111), C112(H112), C113(H113), C114(H114), C115(H115), C121(H121),
 C122(H122), C123(H123), C124(H124), C125(H125), C211(H211), C212(H212),
 C213(H213), C214(H214), C215(H215), C221(H221), C222(H222), C223(H223),
 C224(H224), C225(H225), C231(H231), C232(H232), C233(H233), C234(H234),
 C235(H235), C241(H241), C242(H242), C243(H243), C244(H244), C245(H245)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_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 0.5000 0.07742(2) 0.2500 0.01662(6) Uani 1 2 d S T P . .
O1A O 0.5000 0.20096(14) 0.2500 0.0255(5) Uani 1 2 d S T P . .
O2 O 0.5000 -0.10791(16) 0.2500 0.0486(7) Uani 1 2 d S T P . .
N1 N 0.5000 -0.03546(17) 0.2500 0.0227(5) Uani 1 2 d S T P . .
N111 N 0.59352(7) 0.08441(11) 0.30762(8) 0.0202(3) Uani 1 1 d . . . . .
N121 N 0.49860(7) 0.08387(11) 0.34054(8) 0.0201(3) Uani 1 1 d . . . . .
C111 C 0.62627(9) 0.03312(15) 0.36186(10) 0.0250(4) Uani 1 1 d . . . . .
H111 H 0.6067 -0.0092 0.3727 0.030 Uiso 1 1 calc R . . . .
C112 C 0.68754(10) 0.04003(17) 0.40230(11) 0.0316(5) Uani 1 1 d . . . . .
H112 H 0.7096 0.0033 0.4405 0.038 Uiso 1 1 calc R . . . .
C113 C 0.71625(10) 0.10093(17) 0.38652(11) 0.0334(5) Uani 1 1 d . . . . .
H113 H 0.7583 0.1068 0.4136 0.040 Uiso 1 1 calc R . . . .
C114 C 0.68298(10) 0.15298(16) 0.33098(12) 0.0307(5) Uani 1 1 d . . . . .
H114 H 0.7018 0.1953 0.3192 0.037 Uiso 1 1 calc R . . . .
C115 C 0.62209(9) 0.14339(15) 0.29252(11) 0.0251(4) Uani 1 1 d . . . . .
H115 H 0.5995 0.1795 0.2541 0.030 Uiso 1 1 calc R . . . .
C121 C 0.46027(10) 0.03570(15) 0.34849(11) 0.0253(4) Uani 1 1 d . . . . .
H121 H 0.4362 -0.0048 0.3141 0.030 Uiso 1 1 calc R . . . .
C122 C 0.45482(11) 0.04331(17) 0.40495(12) 0.0314(5) Uani 1 1 d . . . . .
H122 H 0.4270 0.0093 0.4089 0.038 Uiso 1 1 calc R . . . .
C123 C 0.49033(11) 0.10093(16) 0.45560(11) 0.0315(5) Uani 1 1 d . . . . .
H123 H 0.4872 0.1072 0.4948 0.038 Uiso 1 1 calc R . . . .
C124 C 0.53054(10) 0.14931(15) 0.44860(11) 0.0269(5) Uani 1 1 d . . . . .
H124 H 0.5558 0.1888 0.4832 0.032 Uiso 1 1 calc R . . . .
C125 C 0.53364(9) 0.13958(14) 0.39038(10) 0.0221(4) Uani 1 1 d . . . . .
H125 H 0.5612 0.1731 0.3855 0.027 Uiso 1 1 calc R . . . .
Ru2 Ru 0.34992(2) 0.52157(2) 0.25538(2) 0.01568(5) Uani 1 1 d . . . . .
O0AA O 0.25576(7) 0.62416(11) 0.24967(9) 0.0350(4) Uani 1 1 d . . . . .
O2A O 0.41299(7) 0.45373(12) 0.25975(8) 0.0328(4) Uani 1 1 d . . . . .
N2 N 0.29259(7) 0.58359(11) 0.25105(8) 0.0186(3) Uani 1 1 d . . . . .
N211 N 0.34389(7) 0.43318(11) 0.32059(8) 0.0204(3) Uani 1 1 d . . . . .
N221 N 0.41659(7) 0.58797(11) 0.34143(8) 0.0185(3) Uani 1 1 d . . . . .
N231 N 0.36008(8) 0.60516(12) 0.19057(8) 0.0223(4) Uani 1 1 d . . . . .
N241 N 0.29055(7) 0.44623(11) 0.17058(8) 0.0197(3) Uani 1 1 d . . . . .
C211 C 0.33720(10) 0.45979(15) 0.37207(10) 0.0244(4) Uani 1 1 d . . . . .
H211 H 0.3371 0.5193 0.3799 0.029 Uiso 1 1 calc R . . . .
C212 C 0.33047(11) 0.40323(16) 0.41382(11) 0.0318(5) Uani 1 1 d . . . . .
H212 H 0.3257 0.4237 0.4496 0.038 Uiso 1 1 calc R . . . .
C213 C 0.33081(11) 0.31677(16) 0.40297(12) 0.0347(6) Uani 1 1 d . . . . .
H213 H 0.3254 0.2770 0.4305 0.042 Uiso 1 1 calc R . . . .
C214 C 0.33913(11) 0.28920(15) 0.35161(12) 0.0344(6) Uani 1 1 d . . . . .
H214 H 0.3409 0.2300 0.3442 0.041 Uiso 1 1 calc R . . . .
C215 C 0.34490(10) 0.34856(14) 0.31092(11) 0.0275(5) Uani 1 1 d . . . . .
H215 H 0.3498 0.3291 0.2749 0.033 Uiso 1 1 calc R . . . .
C221 C 0.41596(10) 0.67371(14) 0.34578(11) 0.0243(4) Uani 1 1 d . . . . .
H221 H 0.3829 0.7045 0.3109 0.029 Uiso 1 1 calc R . . . .
C222 C 0.46189(10) 0.71807(15) 0.39947(11) 0.0288(5) Uani 1 1 d . . . . .
H222 H 0.4605 0.7785 0.4010 0.035 Uiso 1 1 calc R . . . .
C223 C 0.50972(10) 0.67428(16) 0.45086(11) 0.0300(5) Uani 1 1 d . . . . .
H223 H 0.5417 0.7038 0.4881 0.036 Uiso 1 1 calc R . . . .
C224 C 0.51012(10) 0.58654(16) 0.44697(11) 0.0298(5) Uani 1 1 d . . . . .
H224 H 0.5424 0.5547 0.4820 0.036 Uiso 1 1 calc R . . . .
C225 C 0.46337(9) 0.54529(15) 0.39202(10) 0.0247(4) Uani 1 1 d . . . . .
H225 H 0.4641 0.4849 0.3897 0.030 Uiso 1 1 calc R . . . .
C231 C 0.31266(10) 0.63434(17) 0.13305(12) 0.0332(5) Uani 1 1 d . . . . .
H231 H 0.2741 0.6163 0.1213 0.040 Uiso 1 1 calc R . . . .
C232 C 0.31842(13) 0.6900(2) 0.09030(14) 0.0488(8) Uani 1 1 d . . . . .
H232 H 0.2840 0.7093 0.0495 0.059 Uiso 1 1 calc R . . . .
C233 C 0.37353(13) 0.7177(2) 0.10637(14) 0.0491(8) Uani 1 1 d . . . . .
H233 H 0.3779 0.7564 0.0774 0.059 Uiso 1 1 calc R . . . .
C234 C 0.42227(12) 0.6877(2) 0.16568(14) 0.0455(7) Uani 1 1 d . . . . .
H234 H 0.4611 0.7055 0.1784 0.055 Uiso 1 1 calc R . . . .
C235 C 0.41431(10) 0.63167(17) 0.20643(12) 0.0326(5) Uani 1 1 d . . . . .
H235 H 0.4483 0.6110 0.2471 0.039 Uiso 1 1 calc R . . . .
C241 C 0.23832(9) 0.42025(14) 0.16159(11) 0.0242(4) Uani 1 1 d . . . . .
H241 H 0.2271 0.4392 0.1927 0.029 Uiso 1 1 calc R . . . .
C242 C 0.20054(10) 0.36682(15) 0.10854(12) 0.0301(5) Uani 1 1 d . . . . .
H242 H 0.1642 0.3488 0.1037 0.036 Uiso 1 1 calc R . . . .
C243 C 0.21595(11) 0.33976(16) 0.06264(11) 0.0318(5) Uani 1 1 d . . . . .
H243 H 0.1903 0.3034 0.0256 0.038 Uiso 1 1 calc R . . . .
C244 C 0.26940(11) 0.36664(16) 0.07172(11) 0.0316(5) Uani 1 1 d . . . . .
H244 H 0.2811 0.3488 0.0409 0.038 Uiso 1 1 calc R . . . .
C245 C 0.30566(10) 0.41946(15) 0.12569(11) 0.0277(5) Uani 1 1 d . . . . .
H245 H 0.3424 0.4376 0.1315 0.033 Uiso 1 1 calc R . . . .
Cl3 Cl 0.34055(4) -0.12878(6) 0.24570(8) 0.0283(2) Uani 0.836(4) 1 d . . . A 1
O31 O 0.38036(11) -0.12308(17) 0.22151(15) 0.0498(7) Uani 0.836(4) 1 d . . . A
1
O32 O 0.37525(10) -0.12744(14) 0.32018(10) 0.0408(6) Uani 0.836(4) 1 d . . . A
1
O33 O 0.30067(15) -0.0579(2) 0.22170(17) 0.0404(7) Uani 0.836(4) 1 d . . . A 1
O34 O 0.30763(12) -0.20736(18) 0.22362(16) 0.0484(8) Uani 0.836(4) 1 d . . . A
1
Cl4 Cl 0.3329(3) -0.1340(4) 0.2233(3) 0.0352(16) Uiso 0.164(4) 1 d . . . A 2
O41 O 0.3112(6) -0.1430(9) 0.1528(6) 0.054(4) Uiso 0.164(4) 1 d . . . A 2
O42 O 0.3967(6) -0.1440(9) 0.2643(7) 0.047(3) Uiso 0.164(4) 1 d . . . A 2
O43 O 0.3181(7) -0.0450(12) 0.2389(8) 0.028(4) Uiso 0.164(4) 1 d . . . A 2
O44 O 0.3054(6) -0.1938(10) 0.2467(6) 0.030(3) Uiso 0.164(4) 1 d . . . A 2
Cl1 Cl 0.14052(2) 0.59408(3) 0.01890(3) 0.02497(11) Uani 1 1 d . . . . .
O11 O 0.18271(8) 0.61180(13) -0.00122(9) 0.0412(4) Uani 1 1 d . . . . .
O12 O 0.17033(8) 0.59695(11) 0.09263(8) 0.0345(4) Uani 1 1 d . . . . .
O13 O 0.09501(8) 0.65873(12) -0.00999(10) 0.0408(4) Uani 1 1 d . . . . .
O14 O 0.11397(10) 0.51214(12) -0.00535(10) 0.0480(5) Uani 1 1 d . . . . .
Cl2 Cl 0.60579(2) 0.36835(4) 0.47712(3) 0.02814(12) Uani 1 1 d . . . . .
O21 O 0.62749(11) 0.44852(12) 0.46880(12) 0.0552(6) Uani 1 1 d . . . . .
O22 O 0.63516(8) 0.34723(13) 0.54844(9) 0.0444(5) Uani 1 1 d . . . . .
O23 O 0.54261(8) 0.37371(13) 0.44932(9) 0.0440(5) Uani 1 1 d . . . . .
O24 O 0.61746(8) 0.30331(11) 0.44161(9) 0.0372(4) Uani 1 1 d . . . . .
O1W O 0.46197(9) 0.30128(14) 0.31534(9) 0.0484(5) Uani 1 1 d . . . . .
O2W O 0.52876(16) 0.4877(2) 0.31397(18) 0.0402(9) Uani 0.5 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
O1A Ru1 N111 87.01(5) . .
O1A Ru1 N111 87.01(5) . 2_655
O1A Ru1 N121 87.23(5) . 2_655
O1A Ru1 N121 87.23(5) . .
N1 Ru1 O1A 180.0 . .
N1 Ru1 N111 92.99(5) . .
N1 Ru1 N111 92.99(5) . 2_655
N1 Ru1 N121 92.77(5) . 2_655
N1 Ru1 N121 92.77(5) . .
N111 Ru1 N111 174.03(10) . 2_655
N121 Ru1 N111 89.96(6) 2_655 2_655
N121 Ru1 N111 89.76(6) 2_655 .
N121 Ru1 N111 89.96(6) . .
N121 Ru1 N111 89.75(6) . 2_655
N121 Ru1 N121 174.47(10) 2_655 .
O2 N1 Ru1 180.0 . .
C111 N111 Ru1 121.52(14) . .
C111 N111 C115 118.13(18) . .
C115 N111 Ru1 120.30(14) . .
C121 N121 Ru1 120.62(14) . .
C125 N121 Ru1 120.66(13) . .
C125 N121 C121 118.62(17) . .
N111 C111 H111 118.9 . .
N111 C111 C112 122.1(2) . .
C112 C111 H111 118.9 . .
C111 C112 H112 120.4 . .
C113 C112 C111 119.2(2) . .
C113 C112 H112 120.4 . .
C112 C113 H113 120.6 . .
C114 C113 C112 118.8(2) . .
C114 C113 H113 120.6 . .
C113 C114 H114 120.2 . .
C113 C114 C115 119.6(2) . .
C115 C114 H114 120.2 . .
N111 C115 C114 122.2(2) . .
N111 C115 H115 118.9 . .
C114 C115 H115 118.9 . .
N121 C121 H121 118.9 . .
N121 C121 C122 122.1(2) . .
C122 C121 H121 118.9 . .
C121 C122 H122 120.4 . .
C123 C122 C121 119.2(2) . .
C123 C122 H122 120.4 . .
C122 C123 H123 120.4 . .
C122 C123 C124 119.2(2) . .
C124 C123 H123 120.4 . .
C123 C124 H124 120.4 . .
C123 C124 C125 119.2(2) . .
C125 C124 H124 120.4 . .
N121 C125 C124 121.8(2) . .
N121 C125 H125 119.1 . .
C124 C125 H125 119.1 . .
O2A Ru2 N211 89.09(7) . .
O2A Ru2 N221 87.05(7) . .
O2A Ru2 N231 87.40(7) . .
O2A Ru2 N241 86.78(7) . .
N2 Ru2 O2A 179.67(8) . .
N2 Ru2 N211 91.24(7) . .
N2 Ru2 N221 92.99(7) . .
N2 Ru2 N231 92.28(7) . .
N2 Ru2 N241 93.18(7) . .
N211 Ru2 N221 89.87(6) . .
N211 Ru2 N241 89.38(6) . .
N221 Ru2 N241 173.80(7) . .
N231 Ru2 N211 176.48(7) . .
N231 Ru2 N221 89.99(7) . .
N231 Ru2 N241 90.38(7) . .
O0AA N2 Ru2 178.59(15) . .
C211 N211 Ru2 120.74(14) . .
C211 N211 C215 118.15(19) . .
C215 N211 Ru2 121.09(14) . .
C221 N221 Ru2 121.69(13) . .
C225 N221 Ru2 119.99(14) . .
C225 N221 C221 118.20(18) . .
C231 N231 Ru2 120.70(15) . .
C231 N231 C235 118.39(19) . .
C235 N231 Ru2 120.90(14) . .
C241 N241 Ru2 121.24(14) . .
C241 N241 C245 118.48(18) . .
C245 N241 Ru2 120.20(14) . .
N211 C211 H211 119.0 . .
N211 C211 C212 122.0(2) . .
C212 C211 H211 119.0 . .
C211 C212 H212 120.3 . .
C213 C212 C211 119.4(2) . .
C213 C212 H212 120.3 . .
C212 C213 H213 120.6 . .
C214 C213 C212 118.8(2) . .
C214 C213 H213 120.6 . .
C213 C214 H214 120.3 . .
C213 C214 C215 119.3(2) . .
C215 C214 H214 120.3 . .
N211 C215 C214 122.3(2) . .
N211 C215 H215 118.9 . .
C214 C215 H215 118.9 . .
N221 C221 H221 119.0 . .
N221 C221 C222 121.9(2) . .
C222 C221 H221 119.0 . .
C221 C222 H222 120.2 . .
C223 C222 C221 119.7(2) . .
C223 C222 H222 120.2 . .
C222 C223 H223 120.8 . .
C222 C223 C224 118.5(2) . .
C224 C223 H223 120.8 . .
C223 C224 H224 120.2 . .
C225 C224 C223 119.6(2) . .
C225 C224 H224 120.2 . .
N221 C225 C224 122.1(2) . .
N221 C225 H225 119.0 . .
C224 C225 H225 119.0 . .
N231 C231 H231 119.2 . .
N231 C231 C232 121.5(2) . .
C232 C231 H231 119.2 . .
C231 C232 H232 119.8 . .
C233 C232 C231 120.4(2) . .
C233 C232 H232 119.8 . .
C232 C233 H233 121.0 . .
C232 C233 C234 118.0(2) . .
C234 C233 H233 121.0 . .
C233 C234 H234 120.2 . .
C233 C234 C235 119.5(2) . .
C235 C234 H234 120.2 . .
N231 C235 C234 122.2(2) . .
N231 C235 H235 118.9 . .
C234 C235 H235 118.9 . .
N241 C241 H241 119.1 . .
N241 C241 C242 121.9(2) . .
C242 C241 H241 119.1 . .
C241 C242 H242 120.2 . .
C243 C242 C241 119.6(2) . .
C243 C242 H242 120.2 . .
C242 C243 H243 120.7 . .
C242 C243 C244 118.5(2) . .
C244 C243 H243 120.7 . .
C243 C244 H244 120.2 . .
C245 C244 C243 119.7(2) . .
C245 C244 H244 120.2 . .
N241 C245 C244 121.9(2) . .
N241 C245 H245 119.1 . .
C244 C245 H245 119.1 . .
O31 Cl3 O32 108.42(17) . .
O31 Cl3 O33 110.29(19) . .
O31 Cl3 O34 110.5(2) . .
O33 Cl3 O32 109.0(2) . .
O33 Cl3 O34 110.1(2) . .
O34 Cl3 O32 108.57(18) . .
O41 Cl4 O42 111.7(9) . .
O41 Cl4 O43 110.8(9) . .
O41 Cl4 O44 112.2(9) . .
O42 Cl4 O43 107.3(9) . .
O42 Cl4 O44 109.2(9) . .
O44 Cl4 O43 105.3(9) . .
O11 Cl1 O12 109.27(11) . .
O11 Cl1 O13 108.44(11) . .
O13 Cl1 O12 109.16(11) . .
O14 Cl1 O11 110.71(13) . .
O14 Cl1 O12 109.81(11) . .
O14 Cl1 O13 109.43(12) . .
O21 Cl2 O23 109.87(13) . .
O21 Cl2 O24 109.17(12) . .
O22 Cl2 O21 109.79(13) . .
O22 Cl2 O23 109.08(11) . .
O22 Cl2 O24 109.49(12) . .
O24 Cl2 O23 109.43(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 O1A 1.938(2) .
Ru1 N1 1.770(3) .
Ru1 N111 2.1067(17) .
Ru1 N111 2.1067(16) 2_655
Ru1 N121 2.0969(16) 2_655
Ru1 N121 2.0970(16) .
O2 N1 1.136(3) .
N111 C111 1.347(3) .
N111 C115 1.348(3) .
N121 C121 1.350(3) .
N121 C125 1.348(3) .
C111 H111 0.9500 .
C111 C112 1.385(3) .
C112 H112 0.9500 .
C112 C113 1.380(4) .
C113 H113 0.9500 .
C113 C114 1.374(3) .
C114 H114 0.9500 .
C114 C115 1.378(3) .
C115 H115 0.9500 .
C121 H121 0.9500 .
C121 C122 1.380(3) .
C122 H122 0.9500 .
C122 C123 1.380(3) .
C123 H123 0.9500 .
C123 C124 1.381(3) .
C124 H124 0.9500 .
C124 C125 1.387(3) .
C125 H125 0.9500 .
Ru2 O2A 1.9341(16) .
Ru2 N2 1.7575(17) .
Ru2 N211 2.1045(17) .
Ru2 N221 2.1064(16) .
Ru2 N231 2.1008(17) .
Ru2 N241 2.1071(17) .
O0AA N2 1.149(2) .
N211 C211 1.347(3) .
N211 C215 1.348(3) .
N221 C221 1.349(3) .
N221 C225 1.349(3) .
N231 C231 1.337(3) .
N231 C235 1.345(3) .
N241 C241 1.346(3) .
N241 C245 1.351(3) .
C211 H211 0.9500 .
C211 C212 1.383(3) .
C212 H212 0.9500 .
C212 C213 1.379(4) .
C213 H213 0.9500 .
C213 C214 1.375(4) .
C214 H214 0.9500 .
C214 C215 1.381(3) .
C215 H215 0.9500 .
C221 H221 0.9500 .
C221 C222 1.381(3) .
C222 H222 0.9500 .
C222 C223 1.377(3) .
C223 H223 0.9500 .
C223 C224 1.379(3) .
C224 H224 0.9500 .
C224 C225 1.378(3) .
C225 H225 0.9500 .
C231 H231 0.9500 .
C231 C232 1.379(3) .
C232 H232 0.9500 .
C232 C233 1.371(4) .
C233 H233 0.9500 .
C233 C234 1.376(4) .
C234 H234 0.9500 .
C234 C235 1.376(3) .
C235 H235 0.9500 .
C241 H241 0.9500 .
C241 C242 1.380(3) .
C242 H242 0.9500 .
C242 C243 1.378(3) .
C243 H243 0.9500 .
C243 C244 1.380(3) .
C244 H244 0.9500 .
C244 C245 1.376(3) .
C245 H245 0.9500 .
Cl3 O31 1.425(3) .
Cl3 O32 1.455(3) .
Cl3 O33 1.428(3) .
Cl3 O34 1.439(3) .
Cl4 O41 1.412(14) .
Cl4 O42 1.445(15) .
Cl4 O43 1.541(19) .
Cl4 O44 1.447(15) .
Cl1 O11 1.4382(18) .
Cl1 O12 1.4436(16) .
Cl1 O13 1.4412(18) .
Cl1 O14 1.4295(18) .
Cl2 O21 1.435(2) .
Cl2 O22 1.4336(18) .
Cl2 O23 1.4433(18) .
Cl2 O24 1.4351(17) .
