#------------------------------------------------------------------------------
#$Date: 2020-06-04 03:55:52 +0300 (Thu, 04 Jun 2020) $
#$Revision: 252591 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/76/4517649.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_4517649
loop_
_publ_author_name
'Matveevskaya, Vladislava V.'
'Pavlov, Dmitry I.'
'Sukhikh, Taisiya S.'
'Gushchin, Artem L.'
'Ivanov, Alexander Yu'
'Tennikova, Tatiana B.'
'Sharoyko, Vladimir V.'
'Baykov, Sergey V.'
'Benassi, Enrico'
'Potapov, Andrei S.'
_publ_section_title
;
 Arene-Ruthenium(II) Complexes Containing
 11H-Indeno[1,2-b]quinoxalin-11-one Derivatives and
 Tryptanthrin-6-oxime: Synthesis, Characterization, Cytotoxicity, and
 Catalytic Transfer Hydrogenation of Aryl Ketones.
;
_journal_issue                   19
_journal_name_full               'ACS omega'
_journal_page_first              11167
_journal_page_last               11179
_journal_paper_doi               10.1021/acsomega.0c01204
_journal_volume                  5
_journal_year                    2020
_chemical_formula_moiety         'C34 H35 Cl3 N4 O Ru2, 1.5(C H4 O1)'
_chemical_formula_sum            'C35.5 H41 Cl3 N4 O2.5 Ru2'
_chemical_formula_weight         872.23
_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             2019-10-11
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_cell_angle_alpha                90
_cell_angle_beta                 123.3950(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   34.0106(13)
_cell_length_b                   12.5712(5)
_cell_length_c                   20.0181(8)
_cell_measurement_reflns_used    8692
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.62
_cell_measurement_theta_min      2.36
_cell_volume                     7145.7(5)
_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      298(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_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  0.0351
_diffrn_reflns_av_unetI/netI     0.0354
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            26579
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.733
_diffrn_reflns_theta_min         1.772
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.109
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.6824
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2012/1 (Bruker,2012) was used for absorption correction. wR2(int) was 0.0550 before and 0.0451 after correction. The Ratio of minimum to maximum transmission is 0.9156. The λ/2 correction factor is 0.0015.'
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.619
_exptl_crystal_description       prism
_exptl_crystal_F_000             3516
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.779
_refine_diff_density_min         -0.400
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     426
_refine_ls_number_reflns         6810
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0447
_refine_ls_R_factor_gt           0.0313
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0351P)²+12.0947P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0724
_refine_ls_wR_factor_ref         0.0788
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5479
_reflns_number_total             6810
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ao0c01204_si_004.cif
_cod_data_source_block           potm292
_cod_depositor_comments
'Adding full bibliography for 4517647--4517650.cif.'
_cod_original_formula_sum        'C35.50 H41 Cl3 N4 O2.50 Ru2'
_cod_database_code               4517649
_shelx_shelxl_version_number     2017/1
_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.
;
_shelx_estimated_absorpt_t_max   0.897
_shelx_estimated_absorpt_t_min   0.732
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All C(H,H,H,H,H,H,H,H,H) groups
2. Restrained distances
 O1S-C1S = O5S-C2S = O3S-C2S = O4S-C2S
 1.4 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uiso(O4S) = Uiso(O3S) = Uiso(O5S)
4. Others
 Fixed Sof: O5S(0.33333) O4S(0.33333) O3S(0.33333) H2SA(0.33333) H2SB(0.33333)
 H2SC(0.33333) H2SF(0.33333) H2SE(0.33333) H2SD(0.33333) H2SI(0.33333)
 H2SG(0.33333) H2SH(0.33333) O1S(0.5) C1S(0.5) H1SA(0.5) H1SB(0.5) H1SC(0.5)
5.a Ternary CH refined with riding coordinates:
 C21(H21), C31(H31)
5.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C7(H7), C8(H8), C12(H12), C13(H13), C14(H14), C16(H16),
 C17(H17), C19(H19), C20(H20), C26(H26), C27(H27), C29(H29), C30(H30)
5.c Idealised Me refined with riding coordinates:
 C2S(H2SA,H2SB,H2SC), C2S(H2SF,H2SE,H2SD), C2S(H2SI,H2SG,H2SH)
5.d Idealised Me refined as rotating group:
 C22(H22A,H22B,H22C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C32(H32A,H32B,
 H32C), C33(H33A,H33B,H33C), C34(H34A,H34B,H34C), C1S(H1SA,H1SB,H1SC)
;
_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 0.63371(2) 0.49706(2) 0.76250(2) 0.03327(9) Uani 1 1 d . . . . .
Ru2 Ru 0.59609(2) 0.04529(2) 0.60352(2) 0.02904(8) Uani 1 1 d . . . . .
Cl1 Cl 0.67233(4) 0.53408(9) 0.69526(7) 0.0641(3) Uani 1 1 d . . . . .
Cl2 Cl 0.54090(3) 0.16847(7) 0.60252(5) 0.0419(2) Uani 1 1 d . . . . .
Cl3 Cl 0.57926(3) -0.07616(7) 0.67796(5) 0.0446(2) Uani 1 1 d . . . . .
O00A O 0.69021(9) 0.67223(19) 0.87819(17) 0.0626(8) Uani 1 1 d . . . . .
N1 N 0.69044(10) 0.5751(2) 0.86125(18) 0.0416(7) Uani 1 1 d . . . . .
N2 N 0.68277(8) 0.37023(19) 0.81658(15) 0.0294(6) Uani 1 1 d . . . . .
N3 N 0.76440(9) 0.2420(2) 0.92678(15) 0.0321(6) Uani 1 1 d . . . . .
N4 N 0.64831(9) 0.1129(2) 0.71617(15) 0.0300(6) Uani 1 1 d . . . . .
C1 C 0.72693(11) 0.5127(3) 0.9074(2) 0.0357(8) Uani 1 1 d . . . . .
C2AA C 0.72127(10) 0.4062(2) 0.88144(18) 0.0305(7) Uani 1 1 d . . . . .
C3 C 0.76155(10) 0.3438(2) 0.93622(18) 0.0291(7) Uani 1 1 d . . . . .
C4 C 0.79438(11) 0.4176(3) 1.00000(18) 0.0325(7) Uani 1 1 d . . . . .
C5 C 0.83891(11) 0.4012(3) 1.06779(19) 0.0404(8) Uani 1 1 d . . . . .
H5 H 0.853249 0.334798 1.078405 0.049 Uiso 1 1 calc R . . . .
C6 C 0.86157(13) 0.4855(3) 1.1193(2) 0.0471(9) Uani 1 1 d . . . . .
H6 H 0.891411 0.475605 1.165284 0.057 Uiso 1 1 calc R . . . .
C7 C 0.84048(13) 0.5843(3) 1.1033(2) 0.0472(9) Uani 1 1 d . . . . .
H7 H 0.856373 0.639451 1.139484 0.057 Uiso 1 1 calc R . . . .
C8 C 0.79653(12) 0.6038(3) 1.0354(2) 0.0421(9) Uani 1 1 d . . . . .
H8 H 0.782979 0.671043 1.025064 0.051 Uiso 1 1 calc R . . . .
C9 C 0.77313(11) 0.5196(3) 0.9829(2) 0.0349(8) Uani 1 1 d . . . . .
C10 C 0.68526(10) 0.2634(2) 0.80225(18) 0.0269(7) Uani 1 1 d . . . . .
C11 C 0.72541(10) 0.2014(2) 0.85718(18) 0.0292(7) Uani 1 1 d . . . . .
C12 C 0.72395(11) 0.0936(3) 0.8387(2) 0.0359(8) Uani 1 1 d . . . . .
H12 H 0.749177 0.049614 0.872940 0.043 Uiso 1 1 calc R . . . .
C13 C 0.68570(12) 0.0527(3) 0.7706(2) 0.0369(8) Uani 1 1 d . . . . .
H13 H 0.685153 -0.019845 0.761017 0.044 Uiso 1 1 calc R . . . .
C14 C 0.64876(10) 0.2157(2) 0.73225(18) 0.0297(7) Uani 1 1 d . . . . .
H14 H 0.623581 0.257823 0.695125 0.036 Uiso 1 1 calc R . . . .
C15 C 0.58628(13) 0.4588(3) 0.8021(2) 0.0506(10) Uani 1 1 d . . . . .
C16 C 0.59020(13) 0.5688(3) 0.7970(3) 0.0557(11) Uani 1 1 d . . . . .
H16 H 0.599935 0.610299 0.841984 0.067 Uiso 1 1 calc R . . . .
C17 C 0.57995(12) 0.6190(3) 0.7263(3) 0.0587(12) Uani 1 1 d . . . . .
H17 H 0.582398 0.692580 0.724873 0.070 Uiso 1 1 calc R . . . .
C18 C 0.56580(12) 0.5572(3) 0.6567(2) 0.0529(10) Uani 1 1 d . . . . .
C19 C 0.56251(11) 0.4458(3) 0.6617(2) 0.0446(9) Uani 1 1 d . . . . .
H19 H 0.553491 0.403302 0.617417 0.054 Uiso 1 1 calc R . . . .
C20 C 0.57280(11) 0.3996(3) 0.7329(2) 0.0435(9) Uani 1 1 d . . . . .
H20 H 0.570644 0.326045 0.734795 0.052 Uiso 1 1 calc R . . . .
C21 C 0.59773(18) 0.3994(5) 0.8779(3) 0.0799(14) Uani 1 1 d . . . . .
H21 H 0.607553 0.327525 0.874270 0.096 Uiso 1 1 calc R . . . .
C22 C 0.63710(18) 0.4455(5) 0.9543(3) 0.0898(17) Uani 1 1 d . . . . .
H22A H 0.664770 0.449958 0.952728 0.135 Uiso 1 1 calc GR . . . .
H22B H 0.643405 0.401016 0.998093 0.135 Uiso 1 1 calc GR . . . .
H22C H 0.628547 0.515448 0.961297 0.135 Uiso 1 1 calc GR . . . .
C23 C 0.5528(2) 0.3873(6) 0.8754(4) 0.127(3) Uani 1 1 d . . . . .
H23A H 0.540149 0.456362 0.873382 0.190 Uiso 1 1 calc GR . . . .
H23B H 0.559323 0.350439 0.922433 0.190 Uiso 1 1 calc GR . . . .
H23C H 0.530378 0.347453 0.828705 0.190 Uiso 1 1 calc GR . . . .
C24 C 0.55651(17) 0.6065(4) 0.5811(3) 0.0871(17) Uani 1 1 d . . . . .
H24A H 0.563668 0.681107 0.589563 0.131 Uiso 1 1 calc GR . . . .
H24B H 0.523960 0.597107 0.539105 0.131 Uiso 1 1 calc GR . . . .
H24C H 0.575949 0.572950 0.566174 0.131 Uiso 1 1 calc GR . . . .
C25 C 0.57799(12) 0.1105(3) 0.4877(2) 0.0390(8) Uani 1 1 d . . . . .
C26 C 0.62706(13) 0.1087(3) 0.5412(2) 0.0429(9) Uani 1 1 d . . . . .
H26 H 0.644437 0.170323 0.550216 0.052 Uiso 1 1 calc R . . . .
C27 C 0.65030(13) 0.0137(3) 0.5817(2) 0.0440(9) Uani 1 1 d . . . . .
H27 H 0.682836 0.014442 0.617332 0.053 Uiso 1 1 calc R . . . .
C28 C 0.62570(13) -0.0817(3) 0.5695(2) 0.0423(9) Uani 1 1 d . . . . .
C29 C 0.57594(12) -0.0783(3) 0.5147(2) 0.0400(8) Uani 1 1 d . . . . .
H29 H 0.558563 -0.140090 0.505151 0.048 Uiso 1 1 calc R . . . .
C30 C 0.55262(13) 0.0142(3) 0.4751(2) 0.0387(8) Uani 1 1 d . . . . .
H30 H 0.520045 0.013529 0.439833 0.046 Uiso 1 1 calc R . . . .
C31 C 0.55083(15) 0.2092(3) 0.4443(2) 0.0562(10) Uani 1 1 d . . . . .
H31 H 0.521993 0.209317 0.444193 0.067 Uiso 1 1 calc R . . . .
C32 C 0.5771(2) 0.3121(4) 0.4841(3) 0.0898(17) Uani 1 1 d . . . . .
H32A H 0.585736 0.313384 0.538560 0.135 Uiso 1 1 calc GR . . . .
H32B H 0.557182 0.371762 0.455747 0.135 Uiso 1 1 calc GR . . . .
H32C H 0.605017 0.315888 0.483225 0.135 Uiso 1 1 calc GR . . . .
C33 C 0.53611(18) 0.2036(4) 0.3577(3) 0.0759(14) Uani 1 1 d . . . . .
H33A H 0.563629 0.198588 0.355731 0.114 Uiso 1 1 calc GR . . . .
H33B H 0.518739 0.266456 0.329937 0.114 Uiso 1 1 calc GR . . . .
H33C H 0.516660 0.142060 0.332639 0.114 Uiso 1 1 calc GR . . . .
C34 C 0.65055(15) -0.1816(3) 0.6148(3) 0.0639(12) Uani 1 1 d . . . . .
H34A H 0.682957 -0.165755 0.654473 0.096 Uiso 1 1 calc GR . . . .
H34B H 0.648825 -0.233818 0.578262 0.096 Uiso 1 1 calc GR . . . .
H34C H 0.635716 -0.208881 0.640447 0.096 Uiso 1 1 calc GR . . . .
O5S O 0.7437(5) 0.3553(12) 0.7276(8) 0.140(3) Uiso 0.3333 1 d D . P A 1
O4S O 0.6925(5) 0.3298(12) 0.6232(9) 0.140(3) Uiso 0.3333 1 d D . P A 2
O3S O 0.7342(5) 0.2000(12) 0.6907(9) 0.140(3) Uiso 0.3333 1 d D . P A 3
C2S C 0.7367(3) 0.2921(6) 0.6616(4) 0.126(2) Uiso 1 1 d D . . . .
H2SA H 0.719411 0.332699 0.613034 0.189 Uiso 0.3333 1 calc R . P A 1
H2SB H 0.719396 0.228989 0.656506 0.189 Uiso 0.3333 1 calc R . P A 1
H2SC H 0.766767 0.272623 0.671364 0.189 Uiso 0.3333 1 calc R . P A 1
H2SF H 0.738236 0.224446 0.685119 0.189 Uiso 0.3333 1 calc R . P A 2
H2SE H 0.757713 0.341128 0.702792 0.189 Uiso 0.3333 1 calc R . P A 2
H2SD H 0.745844 0.283806 0.624212 0.189 Uiso 0.3333 1 calc R . P A 2
H2SI H 0.762902 0.332183 0.703030 0.189 Uiso 0.3333 1 calc R . P A 3
H2SG H 0.708139 0.331270 0.641907 0.189 Uiso 0.3333 1 calc R . P A 3
H2SH H 0.740995 0.279830 0.618619 0.189 Uiso 0.3333 1 calc R . P A 3
O1S O 0.5365(3) 0.1633(7) 0.7545(5) 0.106(2) Uiso 0.5 1 d D . P B -1
C1S C 0.5068(5) 0.1031(7) 0.7650(10) 0.094(4) Uiso 0.5 1 d D . P B -1
H1SA H 0.475703 0.105223 0.717297 0.141 Uiso 0.5 1 calc GR . P B -1
H1SB H 0.506165 0.130783 0.809093 0.141 Uiso 0.5 1 calc GR . P B -1
H1SC H 0.517843 0.030866 0.776181 0.141 Uiso 0.5 1 calc GR . P B -1
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
N1 Ru1 Cl1 86.22(9) . . ?
N1 Ru1 N2 79.24(10) . . ?
N1 Ru1 C15 103.82(13) . . ?
N1 Ru1 C16 86.55(14) . . ?
N1 Ru1 C17 98.78(13) . . ?
N1 Ru1 C18 132.02(13) . . ?
N1 Ru1 C19 165.05(12) . . ?
N1 Ru1 C20 139.46(13) . . ?
N2 Ru1 Cl1 84.96(8) . . ?
N2 Ru1 C15 100.24(13) . . ?
N2 Ru1 C16 129.72(14) . . ?
N2 Ru1 C17 167.59(15) . . ?
N2 Ru1 C18 148.02(13) . . ?
N2 Ru1 C19 113.68(12) . . ?
N2 Ru1 C20 94.52(12) . . ?
C15 Ru1 Cl1 169.35(11) . . ?
C15 Ru1 C18 80.54(15) . . ?
C15 Ru1 C19 67.52(15) . . ?
C16 Ru1 Cl1 142.21(13) . . ?
C16 Ru1 C15 37.46(16) . . ?
C16 Ru1 C17 37.94(16) . . ?
C16 Ru1 C18 68.10(16) . . ?
C16 Ru1 C19 79.34(15) . . ?
C16 Ru1 C20 66.73(15) . . ?
C17 Ru1 Cl1 107.22(13) . . ?
C17 Ru1 C15 68.16(16) . . ?
C17 Ru1 C18 37.66(15) . . ?
C17 Ru1 C19 66.95(14) . . ?
C17 Ru1 C20 78.95(14) . . ?
C18 Ru1 Cl1 90.12(12) . . ?
C19 Ru1 Cl1 101.90(11) . . ?
C19 Ru1 C18 36.86(14) . . ?
C20 Ru1 Cl1 133.53(10) . . ?
C20 Ru1 C15 37.37(14) . . ?
C20 Ru1 C18 66.59(14) . . ?
C20 Ru1 C19 36.76(13) . . ?
Cl3 Ru2 Cl2 87.91(3) . . ?
N4 Ru2 Cl2 86.81(7) . . ?
N4 Ru2 Cl3 86.66(7) . . ?
N4 Ru2 C25 123.49(11) . . ?
N4 Ru2 C26 94.35(11) . . ?
N4 Ru2 C27 88.89(12) . . ?
N4 Ru2 C28 111.21(12) . . ?
N4 Ru2 C29 148.81(12) . . ?
N4 Ru2 C30 161.13(11) . . ?
C25 Ru2 Cl2 89.26(9) . . ?
C25 Ru2 Cl3 149.50(9) . . ?
C26 Ru2 Cl2 112.18(10) . . ?
C26 Ru2 Cl3 159.92(10) . . ?
C26 Ru2 C25 37.31(13) . . ?
C26 Ru2 C28 68.81(14) . . ?
C26 Ru2 C30 67.58(13) . . ?
C27 Ru2 Cl2 149.49(11) . . ?
C27 Ru2 Cl3 121.99(11) . . ?
C27 Ru2 C25 68.24(14) . . ?
C27 Ru2 C26 38.12(14) . . ?
C27 Ru2 C28 37.77(14) . . ?
C27 Ru2 C29 67.71(13) . . ?
C27 Ru2 C30 80.10(14) . . ?
C28 Ru2 Cl2 161.95(10) . . ?
C28 Ru2 Cl3 92.10(10) . . ?
C28 Ru2 C25 81.61(13) . . ?
C29 Ru2 Cl2 123.84(10) . . ?
C29 Ru2 Cl3 88.73(10) . . ?
C29 Ru2 C25 67.95(13) . . ?
C29 Ru2 C26 80.03(13) . . ?
C29 Ru2 C28 38.15(13) . . ?
C29 Ru2 C30 37.11(13) . . ?
C30 Ru2 Cl2 94.89(10) . . ?
C30 Ru2 Cl3 112.16(9) . . ?
C30 Ru2 C25 37.93(12) . . ?
C30 Ru2 C28 68.42(14) . . ?
O00A N1 Ru1 124.4(2) . . ?
O00A N1 C1 121.7(3) . . ?
C1 N1 Ru1 113.9(2) . . ?
C2AA N2 Ru1 108.7(2) . . ?
C2AA N2 C10 113.3(3) . . ?
C10 N2 Ru1 138.0(2) . . ?
C3 N3 C11 113.6(3) . . ?
C13 N4 Ru2 119.5(2) . . ?
C14 N4 Ru2 122.3(2) . . ?
C14 N4 C13 117.7(3) . . ?
N1 C1 C2AA 114.9(3) . . ?
N1 C1 C9 138.4(3) . . ?
C2AA C1 C9 106.7(3) . . ?
N2 C2AA C1 123.3(3) . . ?
N2 C2AA C3 125.5(3) . . ?
C1 C2AA C3 111.1(3) . . ?
N3 C3 C2AA 122.9(3) . . ?
N3 C3 C4 131.5(3) . . ?
C2AA C3 C4 105.6(3) . . ?
C5 C4 C3 130.9(3) . . ?
C5 C4 C9 120.6(3) . . ?
C9 C4 C3 108.5(3) . . ?
C6 C5 C4 118.5(3) . . ?
C5 C6 C7 120.9(3) . . ?
C8 C7 C6 122.0(3) . . ?
C7 C8 C9 117.9(3) . . ?
C4 C9 C1 108.1(3) . . ?
C8 C9 C1 131.8(3) . . ?
C8 C9 C4 120.1(3) . . ?
N2 C10 C11 120.8(3) . . ?
N2 C10 C14 120.1(3) . . ?
C14 C10 C11 119.0(3) . . ?
N3 C11 C10 123.6(3) . . ?
N3 C11 C12 119.8(3) . . ?
C12 C11 C10 116.5(3) . . ?
C13 C12 C11 120.3(3) . . ?
N4 C13 C12 123.1(3) . . ?
N4 C14 C10 123.1(3) . . ?
C16 C15 Ru1 68.9(2) . . ?
C16 C15 C20 116.3(4) . . ?
C16 C15 C21 124.7(4) . . ?
C20 C15 Ru1 70.7(2) . . ?
C20 C15 C21 118.9(4) . . ?
C21 C15 Ru1 128.5(3) . . ?
C15 C16 Ru1 73.6(2) . . ?
C15 C16 C17 122.4(4) . . ?
C17 C16 Ru1 72.4(2) . . ?
C16 C17 Ru1 69.6(2) . . ?
C16 C17 C18 120.0(4) . . ?
C18 C17 Ru1 73.3(2) . . ?
C17 C18 Ru1 69.1(2) . . ?
C17 C18 C24 122.0(4) . . ?
C19 C18 Ru1 71.3(2) . . ?
C19 C18 C17 117.9(4) . . ?
C19 C18 C24 120.0(4) . . ?
C24 C18 Ru1 129.0(3) . . ?
C18 C19 Ru1 71.9(2) . . ?
C20 C19 Ru1 70.0(2) . . ?
C20 C19 C18 120.0(3) . . ?
C15 C20 Ru1 72.0(2) . . ?
C19 C20 Ru1 73.2(2) . . ?
C19 C20 C15 123.2(4) . . ?
C22 C21 C15 114.9(4) . . ?
C22 C21 C23 113.4(4) . . ?
C23 C21 C15 108.3(4) . . ?
C26 C25 Ru2 70.4(2) . . ?
C26 C25 C30 118.1(3) . . ?
C26 C25 C31 123.3(3) . . ?
C30 C25 Ru2 70.25(19) . . ?
C30 C25 C31 118.6(3) . . ?
C31 C25 Ru2 129.9(3) . . ?
C25 C26 Ru2 72.32(19) . . ?
C25 C26 C27 120.4(3) . . ?
C27 C26 Ru2 70.0(2) . . ?
C26 C27 Ru2 71.9(2) . . ?
C28 C27 Ru2 72.4(2) . . ?
C28 C27 C26 122.0(3) . . ?
C27 C28 Ru2 69.8(2) . . ?
C27 C28 C29 116.7(3) . . ?
C27 C28 C34 121.6(4) . . ?
C29 C28 Ru2 70.27(19) . . ?
C29 C28 C34 121.6(3) . . ?
C34 C28 Ru2 128.6(3) . . ?
C28 C29 Ru2 71.58(19) . . ?
C30 C29 Ru2 71.99(19) . . ?
C30 C29 C28 122.0(3) . . ?
C25 C30 Ru2 71.82(19) . . ?
C29 C30 Ru2 70.89(19) . . ?
C29 C30 C25 120.8(3) . . ?
C25 C31 C32 113.6(4) . . ?
C25 C31 C33 109.4(4) . . ?
C33 C31 C32 111.5(4) . . ?
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 Cl1 2.3873(11) . ?
Ru1 N1 2.096(3) . ?
Ru1 N2 2.123(2) . ?
Ru1 C15 2.206(4) . ?
Ru1 C16 2.146(4) . ?
Ru1 C17 2.182(3) . ?
Ru1 C18 2.238(4) . ?
Ru1 C19 2.230(3) . ?
Ru1 C20 2.189(3) . ?
Ru2 Cl2 2.4249(9) . ?
Ru2 Cl3 2.4122(9) . ?
Ru2 N4 2.134(2) . ?
Ru2 C25 2.204(3) . ?
Ru2 C26 2.178(3) . ?
Ru2 C27 2.153(3) . ?
Ru2 C28 2.186(3) . ?
Ru2 C29 2.169(3) . ?
Ru2 C30 2.183(3) . ?
O00A N1 1.269(3) . ?
N1 C1 1.321(4) . ?
N2 C2AA 1.317(4) . ?
N2 C10 1.386(4) . ?
N3 C3 1.305(4) . ?
N3 C11 1.388(4) . ?
N4 C13 1.361(4) . ?
N4 C14 1.330(4) . ?
C1 C2AA 1.410(4) . ?
C1 C9 1.465(4) . ?
C2AA C3 1.429(4) . ?
C3 C4 1.473(4) . ?
C4 C5 1.384(4) . ?
C4 C9 1.418(5) . ?
C5 C6 1.380(5) . ?
C6 C7 1.382(5) . ?
C7 C8 1.380(5) . ?
C8 C9 1.392(4) . ?
C10 C11 1.424(4) . ?
C10 C14 1.396(4) . ?
C11 C12 1.398(4) . ?
C12 C13 1.364(4) . ?
C15 C16 1.398(6) . ?
C15 C20 1.408(5) . ?
C15 C21 1.538(6) . ?
C16 C17 1.407(6) . ?
C17 C18 1.428(6) . ?
C18 C19 1.413(5) . ?
C18 C24 1.500(6) . ?
C19 C20 1.394(5) . ?
C21 C22 1.488(7) . ?
C21 C23 1.508(7) . ?
C25 C26 1.402(5) . ?
C25 C30 1.426(5) . ?
C25 C31 1.505(5) . ?
C26 C27 1.415(5) . ?
C27 C28 1.405(5) . ?
C28 C29 1.423(5) . ?
C28 C34 1.506(5) . ?
C29 C30 1.385(5) . ?
C31 C32 1.524(6) . ?
C31 C33 1.518(6) . ?
O5S C2S 1.445(12) . ?
O4S C2S 1.344(12) . ?
O3S C2S 1.320(13) . ?
O1S C1S 1.368(14) . ?
