#------------------------------------------------------------------------------
#$Date: 2019-11-23 15:30:33 +0200 (Sat, 23 Nov 2019) $
#$Revision: 233834 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/93/4349300.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_4349300
loop_
_publ_author_name
'Zhang, Jun'
'Kosaka, Wataru'
'Fukunaga, Hiroki'
'Kitagawa, Susumu'
'Takata, Masaki'
'Miyasaka, Hitoshi'
_publ_section_title
;
 Regulation of NO Uptake in Flexible Ru Dimer Chain Compounds with Highly
 Electron Donating Dopants.
;
_journal_issue                   22
_journal_name_full               'Inorganic chemistry'
_journal_page_first              12085
_journal_page_last               12092
_journal_paper_doi               10.1021/acs.inorgchem.6b02349
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety         'C46.9 H40 Cl7.6 N2 O12 Ru2'
_chemical_formula_sum            'C46.9 H40 Cl7.6 N2 O12 Ru2'
_chemical_formula_weight         1295.22
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                80.750(14)
_cell_angle_beta                 78.389(12)
_cell_angle_gamma                84.462(15)
_cell_formula_units_Z            1
_cell_length_a                   9.761(4)
_cell_length_b                   11.528(5)
_cell_length_c                   12.982(5)
_cell_measurement_reflns_used    4672
_cell_measurement_temperature    112
_cell_measurement_theta_max      31.47
_cell_measurement_theta_min      2.70
_cell_volume                     1409.2(10)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla, et al., 2005)'
_diffrn_ambient_temperature      112
_diffrn_detector_area_resol_mean 7.111
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0331
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9872
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.499
_diffrn_reflns_theta_min         2.235
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.952
_exptl_absorpt_correction_T_max  0.976
_exptl_absorpt_correction_T_min  0.866
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.526
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             648.60
_exptl_crystal_size_max          0.751
_exptl_crystal_size_mid          0.067
_exptl_crystal_size_min          0.025
_refine_diff_density_max         1.20
_refine_diff_density_min         -0.72
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     352
_refine_ls_number_reflns         5140
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.0710
_refine_ls_R_factor_gt           0.0607
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0987P)²+6.8049P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1703
_refine_ls_wR_factor_ref         0.1942
_reflns_number_gt                4516
_reflns_number_total             5140
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ic6b02349_si_002.cif
_cod_data_source_block           Ru-anis-phz_52'
_cod_database_code               4349300
loop_
_symmetry_equiv_pos_site_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -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_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ru1 Ru 0.61947(4) 0.49316(4) 0.48588(3) 0.0269(2) Uani 1 2 d .
Cl1 Cl 0.5103(5) 0.7055(5) -0.1704(3) 0.0619(12) Uani 0.45 2 d .
Cl2 Cl 0.4746(4) -0.1533(3) 0.2724(4) 0.0439(9) Uani 0.45 2 d .
Cl3 Cl 0.8568(3) 0.2786(2) 0.16872(16) 0.0689(6) Uani 1 2 d .
Cl4 Cl 1.0740(2) 0.3561(3) 0.26162(18) 0.0690(7) Uani 1 2 d .
Cl5 Cl 0.7084(10) 0.0194(7) 0.0722(5) 0.121(2) Uani 0.45 2 d .
Cl6 Cl 0.8545(9) -0.0449(5) -0.1250(4) 0.100(2) Uani 0.45 2 d .
O1 O 0.6261(4) 0.5454(4) 0.3253(3) 0.0320(9) Uani 1 2 d .
O2 O 0.3910(4) 0.5585(4) 0.3530(3) 0.0337(10) Uani 1 2 d .
O3 O 0.7585(5) 0.6187(5) 0.1354(4) 0.0514(13) Uani 1 2 d .
O4 O 0.6186(4) 0.3244(4) 0.4525(3) 0.0300(9) Uani 1 2 d .
O5 O 0.3840(4) 0.3366(4) 0.4826(3) 0.0319(9) Uani 1 2 d .
O6 O 0.7397(5) 0.1172(4) 0.4206(4) 0.0468(12) Uani 1 2 d .
N1 N 0.8701(5) 0.4822(4) 0.4723(4) 0.0227(9) Uani 1 2 d .
C1 C 0.5112(6) 0.5652(5) 0.2925(5) 0.0298(13) Uani 1 2 d .
C2 C 0.5117(7) 0.6027(6) 0.1773(5) 0.0334(13) Uani 1 2 d .
C3 C 0.6351(8) 0.6283(6) 0.0997(5) 0.0405(16) Uani 1 2 d .
C4 C 0.8834(8) 0.6449(9) 0.0576(6) 0.062(2) Uani 1 2 d .
C5 C 0.6275(10) 0.6627(8) -0.0049(6) 0.057(2) Uani 1 2 d .
C6 C 0.4996(11) 0.6703(10) -0.0364(6) 0.070(3) Uani 1 2 d .
C7 C 0.3762(9) 0.6445(10) 0.0373(6) 0.068(3) Uani 1 2 d .
C8 C 0.3858(8) 0.6120(8) 0.1425(6) 0.0505(19) Uani 1 2 d .
C9 C 0.5028(6) 0.2844(6) 0.4514(5) 0.0292(12) Uani 1 2 d .
C10 C 0.5024(7) 0.1715(6) 0.4098(5) 0.0375(14) Uani 1 2 d .
C11 C 0.6197(7) 0.0924(6) 0.3919(6) 0.0399(15) Uani 1 2 d .
C12 C 0.8611(8) 0.0377(7) 0.4001(8) 0.057(2) Uani 1 2 d .
C13 C 0.6101(8) -0.0087(7) 0.3497(6) 0.0497(18) Uani 1 2 d .
C14 C 0.4843(9) -0.0307(7) 0.3248(7) 0.059(2) Uani 1 2 d .
C15 C 0.3673(9) 0.0466(8) 0.3411(8) 0.068(3) Uani 1 2 d .
C16 C 0.3776(8) 0.1461(7) 0.3841(7) 0.054(2) Uani 1 2 d .
C17 C 0.9404(6) 0.5792(5) 0.4302(4) 0.0255(11) Uani 1 2 d .
C18 C 1.0712(6) 0.5977(5) 0.4585(4) 0.0254(11) Uani 1 2 d .
C19 C 1.1371(6) 0.7047(5) 0.4141(5) 0.0324(13) Uani 1 2 d .
C20 C 1.0820(7) 0.7838(5) 0.3404(5) 0.0345(14) Uani 1 2 d .
C21 C 0.9582(7) 0.7605(6) 0.3070(5) 0.0351(14) Uani 1 2 d .
C22 C 0.8877(6) 0.6639(5) 0.3514(5) 0.0282(12) Uani 1 2 d .
C23 C 0.8912(7) 0.3546(7) 0.2671(6) 0.0435(16) Uani 1 2 d .
C24 C 0.698(7) -0.018(5) -0.079(4) 0.104(3) Uani 0.225 2 d .
C25 C 0.768(7) 0.072(5) -0.048(4) 0.108(3) Uani 0.225 2 d .
H4A H 0.96453 0.63484 0.09274 0.0748 Uiso 1 2 calc R
H4B H 0.89667 0.59124 0.00443 0.0748 Uiso 1 2 calc R
H4C H 0.87391 0.72636 0.02256 0.0748 Uiso 1 2 calc R
H5 H 0.70991 0.68126 -0.05569 0.0684 Uiso 1 2 calc R
H7 H 0.28849 0.64935 0.01524 0.0817 Uiso 1 2 calc R
H8 H 0.30269 0.59533 0.19312 0.0606 Uiso 1 2 calc R
H12A H 0.93921 0.06563 0.42435 0.0687 Uiso 1 2 calc R
H12B H 0.84037 -0.04097 0.43823 0.0687 Uiso 1 2 calc R
H12C H 0.88669 0.03429 0.32362 0.0687 Uiso 1 2 calc R
H13 H 0.68949 -0.06281 0.33772 0.0596 Uiso 1 2 calc R
H15 H 0.2819 0.0314 0.32289 0.0811 Uiso 1 2 calc R
H16 H 0.29732 0.19912 0.39675 0.0650 Uiso 1 2 calc R
H19 H 1.21969 0.72087 0.43583 0.0389 Uiso 1 2 calc R
H20 H 1.12637 0.85475 0.31132 0.0414 Uiso 1 2 calc R
H21 H 0.9246 0.81381 0.25238 0.0421 Uiso 1 2 calc R
H22 H 0.80288 0.65201 0.33038 0.0338 Uiso 1 2 calc R
H23A H 0.8465 0.31621 0.33811 0.0522 Uiso 1 2 calc R
H23B H 0.85003 0.43661 0.25674 0.0522 Uiso 1 2 calc R
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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ru Ru -1.2594 0.8363
;
International Tables for Crystallography
(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_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
Ru1 Ru1 O1 89.85(11) yes 2_666 .
Ru1 Ru1 O2 89.13(11) yes 2_666 2_666
Ru1 Ru1 O4 89.16(11) yes 2_666 .
Ru1 Ru1 O5 89.68(11) yes 2_666 2_666
Ru1 Ru1 N1 174.82(12) yes 2_666 .
O1 Ru1 O2 178.97(15) yes . 2_666
O1 Ru1 O4 85.61(17) yes . .
O1 Ru1 O5 93.52(18) yes . 2_666
O1 Ru1 N1 94.76(15) yes . .
O2 Ru1 O4 94.49(17) yes 2_666 .
O2 Ru1 O5 86.36(18) yes 2_666 2_666
O2 Ru1 N1 86.25(16) yes 2_666 .
O4 Ru1 O5 178.55(17) yes . 2_666
O4 Ru1 N1 93.54(16) yes . .
O5 Ru1 N1 87.68(16) yes 2_666 .
C24 Cl5 C25 43(3) yes . .
C24 Cl6 C25 50(3) yes . .
Ru1 O1 C1 118.2(3) yes . .
Ru1 O2 C1 118.7(4) yes 2_666 .
C3 O3 C4 117.2(6) yes . .
Ru1 O4 C9 118.9(4) yes . .
Ru1 O5 C9 117.9(4) yes 2_666 .
C11 O6 C12 117.8(6) yes . .
Ru1 N1 C17 119.0(3) yes . .
Ru1 N1 C18 118.7(3) yes . 2_766
C17 N1 C18 116.9(5) yes . 2_766
O1 C1 O2 124.1(5) yes . .
O1 C1 C2 119.8(5) yes . .
O2 C1 C2 116.1(5) yes . .
C1 C2 C3 123.9(6) yes . .
C1 C2 C8 118.4(5) yes . .
C3 C2 C8 117.6(6) yes . .
O3 C3 C2 116.9(6) yes . .
O3 C3 C5 122.4(6) yes . .
C2 C3 C5 120.7(7) yes . .
C3 C5 C6 119.8(7) yes . .
Cl1 C6 C5 113.7(7) yes . .
Cl1 C6 C7 125.0(8) yes . .
C5 C6 C7 121.2(8) yes . .
C6 C7 C8 118.1(8) yes . .
C2 C8 C7 122.6(7) yes . .
O4 C9 O5 123.7(6) yes . .
O4 C9 C10 119.3(5) yes . .
O5 C9 C10 117.1(6) yes . .
C9 C10 C11 124.2(7) yes . .
C9 C10 C16 117.2(6) yes . .
C11 C10 C16 118.6(7) yes . .
O6 C11 C10 117.7(7) yes . .
O6 C11 C13 122.4(6) yes . .
C10 C11 C13 119.9(7) yes . .
C11 C13 C14 119.7(7) yes . .
Cl2 C14 C13 119.2(6) yes . .
Cl2 C14 C15 119.4(8) yes . .
C13 C14 C15 121.4(9) yes . .
C14 C15 C16 118.4(9) yes . .
C10 C16 C15 121.9(7) yes . .
N1 C17 C18 121.7(5) yes . .
N1 C17 C22 119.5(5) yes . .
C18 C17 C22 118.8(5) yes . .
N1 C18 C17 121.4(5) yes 2_766 .
N1 C18 C19 119.9(5) yes 2_766 .
C17 C18 C19 118.7(5) yes . .
C18 C19 C20 120.4(6) yes . .
C19 C20 C21 120.3(6) yes . .
C20 C21 C22 121.3(6) yes . .
C17 C22 C21 120.2(6) yes . .
Cl3 C23 Cl4 111.0(4) yes . .
Cl5 C24 Cl6 101(3) yes . .
Cl5 C24 C25 49(2) yes . .
Cl6 C24 C25 76(4) yes . .
Cl5 C25 Cl6 112(3) yes . .
Cl5 C25 C24 88(3) yes . .
Cl6 C25 C24 54(3) yes . .
O3 C4 H4A 109.475 no . .
O3 C4 H4B 109.463 no . .
O3 C4 H4C 109.468 no . .
H4A C4 H4B 109.470 no . .
H4A C4 H4C 109.481 no . .
H4B C4 H4C 109.471 no . .
C3 C5 H5 120.112 no . .
C6 C5 H5 120.121 no . .
C6 C7 H7 120.960 no . .
C8 C7 H7 120.963 no . .
C2 C8 H8 118.712 no . .
C7 C8 H8 118.722 no . .
O6 C12 H12A 109.474 no . .
O6 C12 H12B 109.468 no . .
O6 C12 H12C 109.471 no . .
H12A C12 H12B 109.472 no . .
H12A C12 H12C 109.471 no . .
H12B C12 H12C 109.471 no . .
C11 C13 H13 120.136 no . .
C14 C13 H13 120.127 no . .
C14 C15 H15 120.811 no . .
C16 C15 H15 120.820 no . .
C10 C16 H16 119.028 no . .
C15 C16 H16 119.023 no . .
C18 C19 H19 119.799 no . .
C20 C19 H19 119.798 no . .
C19 C20 H20 119.827 no . .
C21 C20 H20 119.825 no . .
C20 C21 H21 119.351 no . .
C22 C21 H21 119.345 no . .
C17 C22 H22 119.889 no . .
C21 C22 H22 119.892 no . .
Cl3 C23 H23A 109.435 no . .
Cl3 C23 H23B 109.431 no . .
Cl4 C23 H23A 109.434 no . .
Cl4 C23 H23B 109.424 no . .
H23A C23 H23B 108.028 no . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_2
Ru1 Ru1 2.2808(10) yes 2_666
Ru1 O1 2.065(4) yes .
Ru1 O2 2.065(4) yes 2_666
Ru1 O4 2.061(5) yes .
Ru1 O5 2.064(5) yes 2_666
Ru1 N1 2.410(5) yes .
Cl1 C6 1.706(9) yes .
Cl2 C14 1.683(10) yes .
Cl3 C23 1.761(9) yes .
Cl4 C23 1.773(7) yes .
Cl5 C24 2.11(5) yes .
Cl5 C25 1.59(5) yes .
Cl6 C24 1.54(6) yes .
Cl6 C25 1.84(6) yes .
O1 C1 1.265(7) yes .
O2 C1 1.275(6) yes .
O3 C3 1.364(9) yes .
O3 C4 1.440(9) yes .
O4 C9 1.265(7) yes .
O5 C9 1.275(7) yes .
O6 C11 1.366(9) yes .
O6 C12 1.434(9) yes .
N1 C17 1.349(7) yes .
N1 C18 1.350(7) yes 2_766
C1 C2 1.488(9) yes .
C2 C3 1.428(9) yes .
C2 C8 1.381(11) yes .
C3 C5 1.366(10) yes .
C5 C6 1.380(15) yes .
C6 C7 1.403(12) yes .
C7 C8 1.376(11) yes .
C9 C10 1.488(10) yes .
C10 C11 1.398(9) yes .
C10 C16 1.395(12) yes .
C11 C13 1.384(11) yes .
C13 C14 1.387(13) yes .
C14 C15 1.382(12) yes .
C15 C16 1.374(14) yes .
C17 C18 1.442(8) yes .
C17 C22 1.434(8) yes .
C18 C19 1.429(8) yes .
C19 C20 1.367(9) yes .
C20 C21 1.425(10) yes .
C21 C22 1.352(8) yes .
C24 C25 1.44(9) yes .
C4 H4A 0.980 no .
C4 H4B 0.980 no .
C4 H4C 0.980 no .
C5 H5 0.950 no .
C7 H7 0.950 no .
C8 H8 0.950 no .
C12 H12A 0.980 no .
C12 H12B 0.980 no .
C12 H12C 0.980 no .
C13 H13 0.950 no .
C15 H15 0.950 no .
C16 H16 0.950 no .
C19 H19 0.950 no .
C20 H20 0.950 no .
C21 H21 0.950 no .
C22 H22 0.950 no .
C23 H23A 0.990 no .
C23 H23B 0.990 no .
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_2
Ru1 C19 3.432(6) no 2_766
Ru1 C22 3.438(5) no .
O1 O3 2.593(6) no .
O1 C3 2.918(8) no .
O1 C9 3.391(7) no .
O1 C22 3.110(8) no .
O2 O4 3.573(6) no .
O2 C8 2.713(9) no .
O2 C9 3.377(7) no .
O3 C1 2.876(7) no .
O3 C22 3.427(9) no .
O4 O6 2.617(7) no .
O4 C1 3.403(7) no .
O4 C11 2.905(9) no .
O4 C16 3.593(10) no .
O4 C19 3.181(8) no 2_766
O5 C1 3.447(7) no .
O5 C16 2.725(11) no .
O5 C17 3.250(6) no 2_666
O5 C22 3.061(6) no 2_666
O6 C9 2.870(7) no .
N1 N1 2.854(7) no 2_766
C1 C9 3.546(8) no .
C2 C6 2.781(10) no .
C3 C7 2.786(12) no .
C4 C5 2.757(13) no .
C5 C8 2.767(10) no .
C10 C14 2.769(12) no .
C11 C15 2.793(13) no .
C12 C13 2.780(12) no .
C13 C16 2.757(11) no .
C17 C17 2.711(8) no 2_766
C17 C20 2.816(8) no .
C18 C18 2.718(8) no 2_766
C18 C21 2.810(8) no .
C19 C22 2.820(9) no .
Cl1 Cl3 3.566(6) no 2_665
Cl1 C2 3.596(9) no 2_665
Cl1 C10 3.224(8) no 2_665
Cl1 C15 3.473(10) no 2_665
Cl1 C16 3.072(9) no 2_665
Cl2 Cl5 3.572(9) no .
Cl2 O2 3.443(6) no 1_545
Cl2 C1 3.204(7) no 1_545
Cl2 C2 3.210(8) no 1_545
Cl2 C24 3.54(5) no 2_655
Cl3 Cl1 3.566(6) no 2_665
Cl3 O6 3.523(5) no .
Cl3 C4 3.527(8) no 2_765
Cl4 N1 3.476(5) no .
Cl5 Cl2 3.572(9) no .
Cl5 C13 3.506(10) no .
Cl5 C14 3.552(11) no .
O1 C23 3.279(8) no .
O2 Cl2 3.443(6) no 1_565
O2 C18 3.166(6) no 1_455
O2 C19 2.905(7) no 1_455
O3 C23 3.511(9) no .
O4 C23 3.213(7) no .
O6 Cl3 3.523(5) no .
O6 C15 3.381(11) no 2_656
O6 C23 3.390(9) no .
N1 Cl4 3.476(5) no .
N1 C23 3.206(9) no .
C1 Cl2 3.204(7) no 1_565
C2 Cl1 3.596(9) no 2_665
C2 Cl2 3.210(8) no 1_565
C4 Cl3 3.527(8) no 2_765
C7 C25 3.45(6) no 2_665
C10 Cl1 3.224(8) no 2_665
C10 C13 3.408(10) no 2_656
C10 C14 3.586(11) no 2_656
C11 C14 3.586(11) no 2_656
C11 C15 3.599(12) no 2_656
C12 C20 3.558(10) no 1_545
C12 C21 3.574(11) no 1_545
C13 Cl5 3.506(10) no .
C13 C10 3.408(10) no 2_656
C13 C16 3.583(12) no 2_656
C14 Cl5 3.552(11) no .
C14 C10 3.586(11) no 2_656
C14 C11 3.586(11) no 2_656
C15 Cl1 3.473(10) no 2_665
C15 O6 3.381(11) no 2_656
C15 C11 3.599(12) no 2_656
C16 Cl1 3.072(9) no 2_665
C16 C13 3.583(12) no 2_656
C18 O2 3.166(6) no 1_655
C19 O2 2.905(7) no 1_655
C20 C12 3.558(10) no 1_565
C21 C12 3.574(11) no 1_565
C23 O1 3.279(8) no .
C23 O3 3.511(9) no .
C23 O4 3.213(7) no .
C23 O6 3.390(9) no .
C23 N1 3.206(9) no .
C24 Cl2 3.54(5) no 2_655
C25 C7 3.45(6) no 2_665
Ru1 H19 2.9452 no 2_766
Ru1 H22 2.9365 no .
Cl1 H5 2.6494 no .
Cl1 H7 2.9299 no .
Cl2 H13 2.7620 no .
Cl2 H15 2.7718 no .
O1 H22 2.2304 no .
O2 H8 2.3658 no .
O3 H5 2.5941 no .
O3 H21 3.5762 no .
O3 H22 2.7443 no .
O4 H19 2.3200 no 2_766
O5 H16 2.3825 no .
O5 H22 2.7406 no 2_666
O6 H13 2.6137 no .
O6 H19 2.9450 no 2_766
N1 H19 2.5982 no 2_766
N1 H22 2.5951 no .
C1 H8 2.5893 no .
C1 H22 3.2591 no .
C2 H5 3.2886 no .
C2 H7 3.2735 no .
C3 H4A 3.2062 no .
C3 H4B 2.6300 no .
C3 H4C 2.6300 no .
C3 H8 3.2636 no .
C4 H5 2.4232 no .
C4 H21 3.5349 no .
C4 H22 3.4828 no .
C5 H4B 2.6970 no .
C5 H4C 2.6870 no .
C5 H7 3.2832 no .
C6 H8 3.2412 no .
C7 H5 3.2813 no .
C9 H16 2.5830 no .
C9 H19 3.3196 no 2_766
C10 H13 3.2682 no .
C10 H15 3.2790 no .
C11 H12A 3.2094 no .
C11 H12B 2.6364 no .
C11 H12C 2.6365 no .
C11 H16 3.2583 no .
C12 H13 2.4551 no .
C13 H12B 2.6929 no .
C13 H12C 2.7355 no .
C13 H15 3.2727 no .
C14 H16 3.2247 no .
C15 H13 3.2680 no .
C17 H19 3.3290 no .
C17 H21 3.2745 no .
C18 H20 3.2860 no .
C18 H22 3.3354 no .
C19 H12A 3.5698 no 2_766
C19 H21 3.2697 no .
C20 H22 3.2789 no .
C21 H4A 3.3232 no .
C21 H19 3.2819 no .
C22 H4A 3.3540 no .
C22 H20 3.2675 no .
H4A H5 3.3935 no .
H4A H21 3.0981 no .
H4A H22 3.1974 no .
H4B H5 2.2263 no .
H4C H5 2.2022 no .
H4C H21 3.4381 no .
H7 H8 2.3216 no .
H12A H13 3.4255 no .
H12A H19 3.3652 no 2_766
H12B H13 2.2104 no .
H12C H13 2.2803 no .
H15 H16 2.3218 no .
H19 H20 2.3117 no .
H20 H21 2.3641 no .
H21 H22 2.2918 no .
Ru1 H23A 3.3803 no .
Ru1 H23B 3.4618 no .
Cl1 H16 3.2417 no 2_665
Cl2 H19 3.2213 no 1_445
Cl2 H20 3.3289 no 1_445
Cl3 H4A 3.5246 no 2_765
Cl3 H4B 3.2449 no 2_765
Cl3 H4C 3.2354 no 2_765
Cl3 H7 2.9838 no 2_665
Cl3 H12C 3.2124 no .
Cl4 H4B 3.3678 no 2_765
Cl4 H5 3.1154 no 2_765
Cl4 H16 3.2954 no 1_655
Cl5 H13 3.3969 no .
Cl6 H4C 3.0140 no 1_545
Cl6 H5 3.4928 no 1_545
Cl6 H12C 3.2218 no 2_755
Cl6 H15 3.0986 no 2_655
Cl6 H20 2.9804 no 2_765
Cl6 H21 3.5693 no 2_765
O1 H23A 3.2473 no .
O1 H23B 2.4881 no .
O2 H19 2.6026 no 1_455
O3 H23B 2.6131 no .
O4 H23A 2.4161 no .
O4 H23B 3.2299 no .
O6 H15 3.4669 no 2_656
O6 H23A 2.5923 no .
N1 H23A 2.8405 no .
N1 H23B 2.9764 no .
C1 H19 3.5686 no 1_455
C1 H23B 3.4654 no .
C3 H23B 3.5807 no .
C4 H4B 3.3980 no 2_765
C4 H23B 3.2207 no .
C9 H23A 3.4101 no .
C10 H13 3.5329 no 2_656
C11 H23A 3.4562 no .
C12 H12A 3.2987 no 2_756
C12 H15 3.5764 no 2_656
C12 H20 3.3180 no 1_545
C12 H21 3.3956 no 1_545
C12 H23A 3.1780 no .
C15 H12B 3.1545 no 2_656
C15 H20 3.4955 no 1_445
C16 H12B 2.9897 no 2_656
C16 H13 3.5279 no 2_656
C17 H23B 3.2893 no .
C18 H23A 3.2325 no 2_766
C19 H8 3.3663 no 1_655
C19 H23A 3.2227 no 2_766
C20 H8 3.4340 no 1_655
C20 H12B 3.1550 no 1_565
C20 H12C 3.3047 no 1_565
C20 H15 3.5630 no 1_665
C21 H12B 3.0699 no 1_565
C21 H12C 3.1988 no 1_565
C21 H13 3.1620 no 1_565
C22 H13 3.5333 no 1_565
C22 H23B 3.1480 no .
C24 H4C 3.4688 no 1_545
C24 H5 3.4192 no 1_545
C24 H15 3.1540 no 2_655
C24 H20 3.5024 no 2_765
C25 H7 3.2917 no 2_665
C25 H20 3.3624 no 2_765
H4A Cl3 3.5246 no 2_765
H4A H4B 3.1475 no 2_765
H4A H7 3.1316 no 1_655
H4A H23B 2.9959 no .
H4B Cl3 3.2449 no 2_765
H4B Cl4 3.3678 no 2_765
H4B C4 3.3980 no 2_765
H4B H4A 3.1475 no 2_765
H4B H4B 2.7700 no 2_765
H4B H7 3.5221 no 2_665
H4B H23B 3.4341 no .
H4C Cl3 3.2354 no 2_765
H4C Cl6 3.0140 no 1_565
H4C C24 3.4688 no 1_565
H5 Cl4 3.1154 no 2_765
H5 Cl6 3.4928 no 1_565
H5 C24 3.4192 no 1_565
H7 Cl3 2.9838 no 2_665
H7 C25 3.2917 no 2_665
H7 H4A 3.1316 no 1_455
H7 H4B 3.5221 no 2_665
H8 C19 3.3663 no 1_455
H8 C20 3.4340 no 1_455
H8 H19 3.5905 no 1_455
H12A C12 3.2987 no 2_756
H12A H12A 2.6819 no 2_756
H12A H12B 3.0260 no 2_756
H12A H15 3.3494 no 1_655
H12A H20 3.2575 no 1_545
H12A H23A 3.0464 no .
H12B C15 3.1545 no 2_656
H12B C16 2.9897 no 2_656
H12B C20 3.1550 no 1_545
H12B C21 3.0699 no 1_545
H12B H12A 3.0260 no 2_756
H12B H15 3.1062 no 2_656
H12B H16 2.7889 no 2_656
H12B H20 3.1765 no 1_545
H12B H21 3.0878 no 1_545
H12C Cl3 3.2124 no .
H12C Cl6 3.2218 no 2_755
H12C C20 3.3047 no 1_545
H12C C21 3.1988 no 1_545
H12C H20 2.9671 no 1_545
H12C H21 2.8087 no 1_545
H12C H23A 3.2669 no .
H13 Cl5 3.3969 no .
H13 C10 3.5329 no 2_656
H13 C16 3.5279 no 2_656
H13 C21 3.1620 no 1_545
H13 C22 3.5333 no 1_545
H13 H16 3.5731 no 2_656
H13 H21 2.7148 no 1_545
H13 H22 3.3761 no 1_545
H15 Cl6 3.0986 no 2_655
H15 O6 3.4669 no 2_656
H15 C12 3.5764 no 2_656
H15 C20 3.5630 no 1_445
H15 C24 3.1540 no 2_655
H15 H12A 3.3494 no 1_455
H15 H12B 3.1062 no 2_656
H15 H20 2.6947 no 1_445
H16 Cl1 3.2417 no 2_665
H16 Cl4 3.2954 no 1_455
H16 H12B 2.7889 no 2_656
H16 H13 3.5731 no 2_656
H19 Cl2 3.2213 no 1_665
H19 O2 2.6026 no 1_655
H19 C1 3.5686 no 1_655
H19 H8 3.5905 no 1_655
H19 H23A 2.8460 no 2_766
H20 Cl2 3.3289 no 1_665
H20 Cl6 2.9804 no 2_765
H20 C12 3.3180 no 1_565
H20 C15 3.4955 no 1_665
H20 C24 3.5024 no 2_765
H20 C25 3.3624 no 2_765
H20 H12A 3.2575 no 1_565
H20 H12B 3.1765 no 1_565
H20 H12C 2.9671 no 1_565
H20 H15 2.6947 no 1_665
H21 Cl6 3.5693 no 2_765
H21 C12 3.3956 no 1_565
H21 H12B 3.0878 no 1_565
H21 H12C 2.8087 no 1_565
H21 H13 2.7148 no 1_565
H22 H13 3.3761 no 1_565
H22 H23B 2.7672 no .
H23A Ru1 3.3803 no .
H23A O1 3.2473 no .
H23A O4 2.4161 no .
H23A O6 2.5923 no .
H23A N1 2.8405 no .
H23A C9 3.4101 no .
H23A C11 3.4562 no .
H23A C12 3.1780 no .
H23A C18 3.2325 no 2_766
H23A C19 3.2227 no 2_766
H23A H12A 3.0464 no .
H23A H12C 3.2669 no .
H23A H19 2.8460 no 2_766
H23B Ru1 3.4618 no .
H23B O1 2.4881 no .
H23B O3 2.6131 no .
H23B O4 3.2299 no .
H23B N1 2.9764 no .
H23B C1 3.4654 no .
H23B C3 3.5807 no .
H23B C4 3.2207 no .
H23B C17 3.2893 no .
H23B C22 3.1480 no .
H23B H4A 2.9959 no .
H23B H4B 3.4341 no .
H23B H22 2.7672 no .
