#------------------------------------------------------------------------------
#$Date: 2016-12-31 20:31:26 +0200 (Sat, 31 Dec 2016) $
#$Revision: 189516 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/10/09/1100941.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_1100941
loop_
_publ_author_name
'Nripen Chanda'
'Debamita Paul'
'Sanjib Kar'
'Shaikh M. Mobin'
'Anindya Datta'
'Vedavati G. Puranik'
'K. Krishnamurthy Rao'
'Goutam Kumar Lahiri'
_publ_section_title
;
 Effect of 2-(2-Pyridyl)azole-Based Ancillary Ligands (L1-4) on the
 Electrophilicity of the Nitrosyl Function in [RuII(trpy)(L1-4)(NO)]3+
 [trpy = 2,2':6',2''-Terpyridine]. Synthesis, Structures, and
 Spectroscopic, Electrochemical, and Kinetic Aspects
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3499
_journal_page_last               3511
_journal_paper_doi               10.1021/ic048184w
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C28 H22 N7 O Ru.3(ClO4).2(H2O) '
_chemical_formula_sum            'C28 H26 Cl3 N7 O15 Ru'
_chemical_formula_weight         907.98
_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                104.955(2)
_cell_angle_beta                 92.655(2)
_cell_angle_gamma                95.718(2)
_cell_formula_units_Z            2
_cell_length_a                   9.2829(14)
_cell_length_b                   10.4319(15)
_cell_length_c                   18.729(3)
_cell_measurement_reflns_used    5484
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.82
_cell_measurement_theta_min      2.39
_cell_volume                     1738.6(5)
_computing_cell_refinement       'BRUKER SAINT'
_computing_data_collection       'BRUKER SMART'
_computing_data_reduction        'BRUKER SAINT'
_computing_molecular_graphics    'SHELXTL and PLATON'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       ' Bruker Smart APEX'
_diffrn_measurement_device_type  ' CCD Area Detector'
_diffrn_measurement_method       'Omega 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  0.0428
_diffrn_reflns_av_sigmaI/netI    0.0562
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            16270
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    0.763
_exptl_absorpt_correction_T_max  0.9471
_exptl_absorpt_correction_T_min  0.6833
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            'Deep Brown'
_exptl_crystal_density_diffrn    1.734
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             916
_exptl_crystal_size_max          0.54
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.079
_refine_diff_density_min         -0.441
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     488
_refine_ls_number_reflns         6093
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0771
_refine_ls_R_factor_gt           0.0544
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0768P)²+1.4544P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1317
_refine_ls_wR_factor_ref         0.1428
_reflns_number_gt                4668
_reflns_number_total             6093
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic048184wsi20041223_113232.cif
_cod_data_source_block           C28H26Cl3N7O15Ru
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2016-12-31

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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               1100941
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_attached_hydrogens
Ru Ru 0.02173(4) 0.13102(4) 0.25891(2) 0.03238(16) Uani 1 1 d . . . 0
O1 O -0.2326(5) -0.0622(4) 0.2196(2) 0.0629(12) Uani 1 1 d . . . 0
N1 N -0.0360(5) 0.2489(4) 0.1906(2) 0.0371(10) Uani 1 1 d . . . 0
N2 N 0.2047(5) 0.2737(4) 0.2731(2) 0.0369(10) Uani 1 1 d . . . 0
N5 N -0.0476(5) 0.2438(4) 0.3566(2) 0.0366(10) Uani 1 1 d . . . 0
N4 N 0.1154(4) 0.0495(4) 0.3315(2) 0.0344(9) Uani 1 1 d . . . 0
N3 N 0.1481(5) 0.0049(4) 0.1899(2) 0.0401(10) Uani 1 1 d . . . 0
N6 N -0.1332(5) 0.0135(4) 0.2370(2) 0.0414(11) Uani 1 1 d . . . 0
N7 N 0.0195(6) 0.4173(4) 0.1419(2) 0.0465(12) Uani 1 1 d . . . 0
C1 C -0.1236(7) 0.3711(6) 0.1211(3) 0.0491(15) Uani 1 1 d . . . 0
C2 C -0.2295(9) 0.4168(7) 0.0804(3) 0.0650(19) Uani 1 1 d . . . 0
H2 H -0.2067 0.4882 0.0602 0.078 Uiso 1 1 calc R . . 0
C3 C -0.3628(10) 0.3540(8) 0.0722(4) 0.074(2) Uani 1 1 d . . . 0
H3 H -0.4341 0.3826 0.0454 0.089 Uiso 1 1 calc R . . 0
C4 C -0.4010(8) 0.2475(8) 0.1018(4) 0.0689(19) Uani 1 1 d . . . 0
H4 H -0.4962 0.2068 0.0947 0.083 Uiso 1 1 calc R . . 0
C5 C -0.2977(7) 0.2014(6) 0.1421(3) 0.0554(16) Uani 1 1 d . . . 0
H5 H -0.3220 0.1296 0.1618 0.067 Uiso 1 1 calc R . . 0
C6 C -0.1589(6) 0.2652(5) 0.1518(3) 0.0414(13) Uani 1 1 d . . . 0
C7 C 0.0683(6) 0.3409(5) 0.1841(3) 0.0389(12) Uani 1 1 d . . . 0
C8 C 0.2075(6) 0.3543(5) 0.2263(3) 0.0407(13) Uani 1 1 d . . . 0
C9 C 0.3308(7) 0.4368(7) 0.2239(4) 0.0648(18) Uani 1 1 d . . . 0
H9 H 0.3335 0.4890 0.1905 0.078 Uiso 1 1 calc R . . 0
C10 C 0.4501(8) 0.4420(8) 0.2711(4) 0.076(2) Uani 1 1 d . . . 0
H10 H 0.5340 0.4977 0.2697 0.091 Uiso 1 1 calc R . . 0
C11 C 0.4452(7) 0.3651(7) 0.3201(4) 0.0685(19) Uani 1 1 d . . . 0
H11 H 0.5241 0.3699 0.3535 0.082 Uiso 1 1 calc R . . 0
C12 C 0.3231(6) 0.2819(6) 0.3190(3) 0.0518(15) Uani 1 1 d . . . 0
H12 H 0.3209 0.2279 0.3515 0.062 Uiso 1 1 calc R . . 0
C13 C 0.1620(7) -0.0073(6) 0.1176(3) 0.0486(14) Uani 1 1 d . . . 0
H13 H 0.1045 0.0375 0.0924 0.058 Uiso 1 1 calc R . . 0
C14 C 0.2597(7) -0.0850(7) 0.0802(3) 0.0620(17) Uani 1 1 d . . . 0
H14 H 0.2695 -0.0919 0.0302 0.074 Uiso 1 1 calc R . . 0
C15 C 0.3421(8) -0.1517(7) 0.1169(4) 0.0686(19) Uani 1 1 d . . . 0
H15 H 0.4089 -0.2043 0.0920 0.082 Uiso 1 1 calc R . . 0
C16 C 0.3268(7) -0.1413(6) 0.1915(3) 0.0554(16) Uani 1 1 d . . . 0
H16 H 0.3831 -0.1864 0.2170 0.067 Uiso 1 1 calc R . . 0
C17 C 0.2280(6) -0.0639(5) 0.2269(3) 0.0412(13) Uani 1 1 d . . . 0
C18 C 0.2066(6) -0.0412(5) 0.3065(3) 0.0402(12) Uani 1 1 d . . . 0
C19 C 0.2744(6) -0.0974(6) 0.3566(3) 0.0497(14) Uani 1 1 d . . . 0
H19 H 0.3366 -0.1620 0.3409 0.060 Uiso 1 1 calc R . . 0
C20 C 0.2471(6) -0.0550(6) 0.4303(3) 0.0508(15) Uani 1 1 d . . . 0
H20 H 0.2911 -0.0924 0.4644 0.061 Uiso 1 1 calc R . . 0
C21 C 0.1559(6) 0.0419(6) 0.4546(3) 0.0478(14) Uani 1 1 d . . . 0
H21 H 0.1397 0.0708 0.5045 0.057 Uiso 1 1 calc R . . 0
C22 C 0.0892(6) 0.0950(5) 0.4027(3) 0.0362(12) Uani 1 1 d . . . 0
C23 C -0.0032(5) 0.2040(5) 0.4172(3) 0.0372(12) Uani 1 1 d . . . 0
C24 C -0.0407(6) 0.2676(6) 0.4867(3) 0.0447(13) Uani 1 1 d . . . 0
H24 H -0.0079 0.2422 0.5281 0.054 Uiso 1 1 calc R . . 0
C25 C -0.1280(6) 0.3698(6) 0.4940(3) 0.0525(15) Uani 1 1 d . . . 0
H25 H -0.1562 0.4126 0.5404 0.063 Uiso 1 1 calc R . . 0
C26 C -0.1727(6) 0.4074(6) 0.4322(3) 0.0524(15) Uani 1 1 d . . . 0
H26 H -0.2317 0.4756 0.4364 0.063 Uiso 1 1 calc R . . 0
C27 C -0.1300(6) 0.3441(5) 0.3647(3) 0.0412(13) Uani 1 1 d . . . 0
H27 H -0.1588 0.3713 0.3233 0.049 Uiso 1 1 calc R . . 0
C28 C 0.1016(8) 0.5280(6) 0.1199(4) 0.070(2) Uani 1 1 d . . . 0
H28A H 0.1375 0.5975 0.1633 0.104 Uiso 1 1 calc R . . 0
H28B H 0.0389 0.5628 0.0891 0.104 Uiso 1 1 calc R . . 0
H28C H 0.1818 0.4955 0.0928 0.104 Uiso 1 1 calc R . . 0
Cl1 Cl 0.79285(19) 0.79029(16) 0.02695(8) 0.0591(4) Uani 1 1 d . . . 0
O2 O 0.8162(10) 0.9264(6) 0.0585(4) 0.141(3) Uani 1 1 d . . . 0
O3 O 0.9134(7) 0.7318(7) 0.0431(4) 0.136(3) Uani 1 1 d . . . 0
O4 O 0.6761(8) 0.7274(9) 0.0535(4) 0.153(3) Uani 1 1 d . . . 0
O5 O 0.7650(6) 0.7647(5) -0.0505(3) 0.0909(17) Uani 1 1 d . . . 0
Cl2 Cl 0.92110(17) 0.68174(15) 0.29935(8) 0.0527(4) Uani 1 1 d . . . 0
O6 O 0.9498(7) 0.7290(5) 0.2362(3) 0.0933(17) Uani 1 1 d . . . 0
O7 O 0.9008(6) 0.7940(5) 0.3581(2) 0.0791(14) Uani 1 1 d . . . 0
O8 O 1.0389(6) 0.6184(5) 0.3183(3) 0.0888(16) Uani 1 1 d . . . 0
O9 O 0.7972(6) 0.5876(5) 0.2822(3) 0.0960(17) Uani 1 1 d . . . 0
Cl3 Cl 0.46285(18) 0.27672(17) 0.52435(10) 0.0666(5) Uani 1 1 d . . . 0
O10 O 0.5109(7) 0.2087(7) 0.4552(3) 0.109(2) Uani 1 1 d . . . 0
O11 O 0.3291(6) 0.3222(6) 0.5115(4) 0.109(2) Uani 1 1 d . . . 0
O12 O 0.5699(8) 0.3739(9) 0.5612(5) 0.182(4) Uani 1 1 d . . . 0
O13 O 0.4383(7) 0.1778(8) 0.5656(4) 0.141(3) Uani 1 1 d . . . 0
O14 O 0.5712(7) 0.6642(6) 0.1832(4) 0.123(2) Uani 1 1 d . . . 2
O15 O 0.6792(9) 0.0317(6) 0.3656(4) 0.141(3) Uani 1 1 d . . . 2
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'
Cl Cl 0.1484 0.1585 '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'
N N 0.0061 0.0033 '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'
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
N6 Ru N4 95.50(18) . . ?
N6 Ru N5 95.78(18) . . ?
N4 Ru N5 79.85(16) . . ?
N6 Ru N1 97.42(18) . . ?
N4 Ru N1 167.05(16) . . ?
N5 Ru N1 97.89(16) . . ?
N6 Ru N3 93.13(18) . . ?
N4 Ru N3 79.58(17) . . ?
N5 Ru N3 158.26(17) . . ?
N1 Ru N3 100.57(16) . . ?
N6 Ru N2 173.62(17) . . ?
N4 Ru N2 89.96(16) . . ?
N5 Ru N2 88.42(16) . . ?
N1 Ru N2 77.20(16) . . ?
N3 Ru N2 84.58(16) . . ?
C7 N1 C6 107.6(4) . . ?
C7 N1 Ru 114.8(3) . . ?
C6 N1 Ru 137.4(4) . . ?
C12 N2 C8 118.3(5) . . ?
C12 N2 Ru 125.1(4) . . ?
C8 N2 Ru 116.2(3) . . ?
C27 N5 C23 119.6(4) . . ?
C27 N5 Ru 127.5(4) . . ?
C23 N5 Ru 112.9(3) . . ?
C22 N4 C18 124.6(4) . . ?
C22 N4 Ru 117.3(3) . . ?
C18 N4 Ru 117.9(3) . . ?
C13 N3 C17 120.1(5) . . ?
C13 N3 Ru 126.9(4) . . ?
C17 N3 Ru 112.9(3) . . ?
O1 N6 Ru 176.9(4) . . ?
C7 N7 C1 106.8(4) . . ?
C7 N7 C28 128.1(5) . . ?
C1 N7 C28 125.1(5) . . ?
N7 C1 C6 107.5(5) . . ?
N7 C1 C2 131.5(6) . . ?
C6 C1 C2 121.0(6) . . ?
C3 C2 C1 117.3(7) . . ?
C3 C2 H2 121.3 . . ?
C1 C2 H2 121.3 . . ?
C2 C3 C4 123.0(7) . . ?
C2 C3 H3 118.5 . . ?
C4 C3 H3 118.5 . . ?
C3 C4 C5 120.4(7) . . ?
C3 C4 H4 119.8 . . ?
C5 C4 H4 119.8 . . ?
C6 C5 C4 117.8(6) . . ?
C6 C5 H5 121.1 . . ?
C4 C5 H5 121.1 . . ?
C5 C6 N1 132.2(5) . . ?
C5 C6 C1 120.5(5) . . ?
N1 C6 C1 107.2(5) . . ?
N1 C7 N7 111.0(5) . . ?
N1 C7 C8 118.9(4) . . ?
N7 C7 C8 129.9(5) . . ?
N2 C8 C9 120.4(5) . . ?
N2 C8 C7 111.8(4) . . ?
C9 C8 C7 127.7(5) . . ?
C10 C9 C8 119.7(6) . . ?
C10 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
C11 C10 C9 119.8(6) . . ?
C11 C10 H10 120.1 . . ?
C9 C10 H10 120.1 . . ?
C12 C11 C10 118.6(6) . . ?
C12 C11 H11 120.7 . . ?
C10 C11 H11 120.7 . . ?
N2 C12 C11 123.1(6) . . ?
N2 C12 H12 118.5 . . ?
C11 C12 H12 118.5 . . ?
N3 C13 C14 120.9(6) . . ?
N3 C13 H13 119.5 . . ?
C14 C13 H13 119.5 . . ?
C15 C14 C13 119.4(6) . . ?
C15 C14 H14 120.3 . . ?
C13 C14 H14 120.3 . . ?
C14 C15 C16 120.0(6) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C17 C16 C15 119.0(6) . . ?
C17 C16 H16 120.5 . . ?
C15 C16 H16 120.5 . . ?
C16 C17 N3 120.4(5) . . ?
C16 C17 C18 123.8(5) . . ?
N3 C17 C18 115.7(4) . . ?
N4 C18 C19 118.6(5) . . ?
N4 C18 C17 113.9(4) . . ?
C19 C18 C17 127.4(5) . . ?
C20 C19 C18 118.3(5) . . ?
C20 C19 H19 120.9 . . ?
C18 C19 H19 120.9 . . ?
C19 C20 C21 121.6(5) . . ?
C19 C20 H20 119.2 . . ?
C21 C20 H20 119.2 . . ?
C20 C21 C22 118.4(5) . . ?
C20 C21 H21 120.8 . . ?
C22 C21 H21 120.8 . . ?
N4 C22 C21 118.4(5) . . ?
N4 C22 C23 114.4(4) . . ?
C21 C22 C23 127.1(5) . . ?
N5 C23 C24 120.5(5) . . ?
N5 C23 C22 115.4(4) . . ?
C24 C23 C22 124.0(5) . . ?
C23 C24 C25 119.1(5) . . ?
C23 C24 H24 120.4 . . ?
C25 C24 H24 120.4 . . ?
C26 C25 C24 119.4(5) . . ?
C26 C25 H25 120.3 . . ?
C24 C25 H25 120.3 . . ?
C27 C26 C25 119.5(5) . . ?
C27 C26 H26 120.2 . . ?
C25 C26 H26 120.2 . . ?
N5 C27 C26 121.8(5) . . ?
N5 C27 H27 119.1 . . ?
C26 C27 H27 119.1 . . ?
N7 C28 H28A 109.5 . . ?
N7 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
N7 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O2 Cl1 O3 109.6(5) . . ?
O2 Cl1 O4 113.4(5) . . ?
O3 Cl1 O4 106.2(5) . . ?
O2 Cl1 O5 109.6(4) . . ?
O3 Cl1 O5 110.4(4) . . ?
O4 Cl1 O5 107.5(4) . . ?
O9 Cl2 O8 108.3(3) . . ?
O9 Cl2 O7 111.8(3) . . ?
O8 Cl2 O7 110.6(3) . . ?
O9 Cl2 O6 108.9(4) . . ?
O8 Cl2 O6 109.9(4) . . ?
O7 Cl2 O6 107.4(3) . . ?
O12 Cl3 O11 115.0(5) . . ?
O12 Cl3 O10 109.0(4) . . ?
O11 Cl3 O10 108.8(4) . . ?
O12 Cl3 O13 109.5(6) . . ?
O11 Cl3 O13 107.9(4) . . ?
O10 Cl3 O13 106.2(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
Ru N6 1.754(5) . ?
Ru N4 1.991(4) . ?
Ru N5 2.072(4) . ?
Ru N1 2.078(4) . ?
Ru N3 2.085(4) . ?
Ru N2 2.103(4) . ?
O1 N6 1.129(5) . ?
N1 C7 1.326(6) . ?
N1 C6 1.373(6) . ?
N2 C12 1.346(7) . ?
N2 C8 1.360(6) . ?
N5 C27 1.338(6) . ?
N5 C23 1.366(6) . ?
N4 C22 1.337(6) . ?
N4 C18 1.341(7) . ?
N3 C13 1.340(6) . ?
N3 C17 1.364(6) . ?
N7 C7 1.353(6) . ?
N7 C1 1.370(8) . ?
N7 C28 1.478(7) . ?
C1 C6 1.390(8) . ?
C1 C2 1.409(8) . ?
C2 C3 1.324(10) . ?
C2 H2 0.9300 . ?
C3 C4 1.388(10) . ?
C3 H3 0.9300 . ?
C4 C5 1.390(8) . ?
C4 H4 0.9300 . ?
C5 C6 1.372(8) . ?
C5 H5 0.9300 . ?
C7 C8 1.458(8) . ?
C8 C9 1.372(8) . ?
C9 C10 1.372(9) . ?
C9 H9 0.9300 . ?
C10 C11 1.366(10) . ?
C10 H10 0.9300 . ?
C11 C12 1.353(8) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.373(8) . ?
C13 H13 0.9300 . ?
C14 C15 1.357(9) . ?
C14 H14 0.9300 . ?
C15 C16 1.389(9) . ?
C15 H15 0.9300 . ?
C16 C17 1.363(8) . ?
C16 H16 0.9300 . ?
C17 C18 1.474(7) . ?
C18 C19 1.387(7) . ?
C19 C20 1.380(8) . ?
C19 H19 0.9300 . ?
C20 C21 1.384(8) . ?
C20 H20 0.9300 . ?
C21 C22 1.387(7) . ?
C21 H21 0.9300 . ?
C22 C23 1.469(7) . ?
C23 C24 1.377(7) . ?
C24 C25 1.386(8) . ?
C24 H24 0.9300 . ?
C25 C26 1.375(9) . ?
C25 H25 0.9300 . ?
C26 C27 1.363(8) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
Cl1 O2 1.380(6) . ?
Cl1 O3 1.384(6) . ?
Cl1 O4 1.388(7) . ?
Cl1 O5 1.413(5) . ?
Cl2 O9 1.403(5) . ?
Cl2 O8 1.409(5) . ?
Cl2 O7 1.419(5) . ?
Cl2 O6 1.421(5) . ?
Cl3 O12 1.366(6) . ?
Cl3 O11 1.404(5) . ?
Cl3 O10 1.422(5) . ?
Cl3 O13 1.447(6) . ?
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
N6 Ru N1 C7 -170.5(4) . . . . ?
N4 Ru N1 C7 13.6(9) . . . . ?
N5 Ru N1 C7 92.6(4) . . . . ?
N3 Ru N1 C7 -75.9(4) . . . . ?
N2 Ru N1 C7 6.0(3) . . . . ?
N6 Ru N1 C6 14.5(5) . . . . ?
N4 Ru N1 C6 -161.4(7) . . . . ?
N5 Ru N1 C6 -82.4(5) . . . . ?
N3 Ru N1 C6 109.1(5) . . . . ?
N2 Ru N1 C6 -169.0(5) . . . . ?
N6 Ru N2 C12 -149.6(15) . . . . ?
N4 Ru N2 C12 -0.7(5) . . . . ?
N5 Ru N2 C12 79.1(4) . . . . ?
N1 Ru N2 C12 177.6(5) . . . . ?
N3 Ru N2 C12 -80.3(5) . . . . ?
N6 Ru N2 C8 23.6(18) . . . . ?
N4 Ru N2 C8 172.4(4) . . . . ?
N5 Ru N2 C8 -107.8(4) . . . . ?
N1 Ru N2 C8 -9.3(3) . . . . ?
N3 Ru N2 C8 92.9(4) . . . . ?
N6 Ru N5 C27 -86.6(4) . . . . ?
N4 Ru N5 C27 178.8(4) . . . . ?
N1 Ru N5 C27 11.7(4) . . . . ?
N3 Ru N5 C27 159.7(4) . . . . ?
N2 Ru N5 C27 88.6(4) . . . . ?
N6 Ru N5 C23 91.7(4) . . . . ?
N4 Ru N5 C23 -2.8(3) . . . . ?
N1 Ru N5 C23 -169.9(3) . . . . ?
N3 Ru N5 C23 -22.0(6) . . . . ?
N2 Ru N5 C23 -93.1(3) . . . . ?
N6 Ru N4 C22 -92.3(4) . . . . ?
N5 Ru N4 C22 2.6(3) . . . . ?
N1 Ru N4 C22 83.6(8) . . . . ?
N3 Ru N4 C22 175.5(4) . . . . ?
N2 Ru N4 C22 91.0(4) . . . . ?
N6 Ru N4 C18 91.5(4) . . . . ?
N5 Ru N4 C18 -173.6(4) . . . . ?
N1 Ru N4 C18 -92.5(8) . . . . ?
N3 Ru N4 C18 -0.7(4) . . . . ?
N2 Ru N4 C18 -85.2(4) . . . . ?
N6 Ru N3 C13 87.8(5) . . . . ?
N4 Ru N3 C13 -177.2(5) . . . . ?
N5 Ru N3 C13 -158.1(4) . . . . ?
N1 Ru N3 C13 -10.4(5) . . . . ?
N2 Ru N3 C13 -86.3(5) . . . . ?
N6 Ru N3 C17 -96.0(4) . . . . ?
N4 Ru N3 C17 -1.0(3) . . . . ?
N5 Ru N3 C17 18.2(6) . . . . ?
N1 Ru N3 C17 165.9(3) . . . . ?
N2 Ru N3 C17 90.0(4) . . . . ?
N4 Ru N6 O1 -139(8) . . . . ?
N5 Ru N6 O1 141(8) . . . . ?
N1 Ru N6 O1 42(8) . . . . ?
N3 Ru N6 O1 -59(8) . . . . ?
N2 Ru N6 O1 10(9) . . . . ?
C7 N7 C1 C6 -0.1(6) . . . . ?
C28 N7 C1 C6 178.7(5) . . . . ?
C7 N7 C1 C2 176.4(6) . . . . ?
C28 N7 C1 C2 -4.9(10) . . . . ?
N7 C1 C2 C3 -176.7(6) . . . . ?
C6 C1 C2 C3 -0.6(9) . . . . ?
C1 C2 C3 C4 0.2(10) . . . . ?
C2 C3 C4 C5 -0.2(11) . . . . ?
C3 C4 C5 C6 0.5(9) . . . . ?
C4 C5 C6 N1 176.5(6) . . . . ?
C4 C5 C6 C1 -0.9(8) . . . . ?
C7 N1 C6 C5 -177.4(6) . . . . ?
Ru N1 C6 C5 -2.1(9) . . . . ?
C7 N1 C6 C1 0.3(6) . . . . ?
Ru N1 C6 C1 175.6(4) . . . . ?
N7 C1 C6 C5 177.9(5) . . . . ?
C2 C1 C6 C5 1.0(8) . . . . ?
N7 C1 C6 N1 -0.1(6) . . . . ?
C2 C1 C6 N1 -177.1(5) . . . . ?
C6 N1 C7 N7 -0.4(6) . . . . ?
Ru N1 C7 N7 -176.9(3) . . . . ?
C6 N1 C7 C8 174.1(4) . . . . ?
Ru N1 C7 C8 -2.4(6) . . . . ?
C1 N7 C7 N1 0.3(6) . . . . ?
C28 N7 C7 N1 -178.4(5) . . . . ?
C1 N7 C7 C8 -173.4(5) . . . . ?
C28 N7 C7 C8 7.9(9) . . . . ?
C12 N2 C8 C9 3.2(8) . . . . ?
Ru N2 C8 C9 -170.5(4) . . . . ?
C12 N2 C8 C7 -175.9(5) . . . . ?
Ru N2 C8 C7 10.5(5) . . . . ?
N1 C7 C8 N2 -5.4(7) . . . . ?
N7 C7 C8 N2 167.9(5) . . . . ?
N1 C7 C8 C9 175.7(5) . . . . ?
N7 C7 C8 C9 -11.0(9) . . . . ?
N2 C8 C9 C10 -2.7(9) . . . . ?
C7 C8 C9 C10 176.2(6) . . . . ?
C8 C9 C10 C11 -0.1(11) . . . . ?
C9 C10 C11 C12 2.2(11) . . . . ?
C8 N2 C12 C11 -1.0(9) . . . . ?
Ru N2 C12 C11 172.0(5) . . . . ?
C10 C11 C12 N2 -1.7(11) . . . . ?
C17 N3 C13 C14 -2.3(8) . . . . ?
Ru N3 C13 C14 173.7(4) . . . . ?
N3 C13 C14 C15 0.8(10) . . . . ?
C13 C14 C15 C16 0.2(11) . . . . ?
C14 C15 C16 C17 0.2(10) . . . . ?
C15 C16 C17 N3 -1.7(9) . . . . ?
C15 C16 C17 C18 -177.5(6) . . . . ?
C13 N3 C17 C16 2.7(8) . . . . ?
Ru N3 C17 C16 -173.8(4) . . . . ?
C13 N3 C17 C18 178.8(5) . . . . ?
Ru N3 C17 C18 2.3(6) . . . . ?
C22 N4 C18 C19 3.1(8) . . . . ?
Ru N4 C18 C19 179.0(4) . . . . ?
C22 N4 C18 C17 -173.8(4) . . . . ?
Ru N4 C18 C17 2.1(6) . . . . ?
C16 C17 C18 N4 173.1(5) . . . . ?
N3 C17 C18 N4 -2.9(7) . . . . ?
C16 C17 C18 C19 -3.5(9) . . . . ?
N3 C17 C18 C19 -179.5(5) . . . . ?
N4 C18 C19 C20 -1.4(8) . . . . ?
C17 C18 C19 C20 175.1(5) . . . . ?
C18 C19 C20 C21 -0.6(9) . . . . ?
C19 C20 C21 C22 1.1(9) . . . . ?
C18 N4 C22 C21 -2.6(7) . . . . ?
Ru N4 C22 C21 -178.5(4) . . . . ?
C18 N4 C22 C23 174.0(5) . . . . ?
Ru N4 C22 C23 -1.9(5) . . . . ?
C20 C21 C22 N4 0.4(8) . . . . ?
C20 C21 C22 C23 -175.7(5) . . . . ?
C27 N5 C23 C24 -1.0(7) . . . . ?
Ru N5 C23 C24 -179.5(4) . . . . ?
C27 N5 C23 C22 -178.8(4) . . . . ?
Ru N5 C23 C22 2.7(5) . . . . ?
N4 C22 C23 N5 -0.6(6) . . . . ?
C21 C22 C23 N5 175.6(5) . . . . ?
N4 C22 C23 C24 -178.4(5) . . . . ?
C21 C22 C23 C24 -2.1(8) . . . . ?
N5 C23 C24 C25 2.0(8) . . . . ?
C22 C23 C24 C25 179.6(5) . . . . ?
C23 C24 C25 C26 -1.4(8) . . . . ?
C24 C25 C26 C27 -0.3(9) . . . . ?
C23 N5 C27 C26 -0.8(7) . . . . ?
Ru N5 C27 C26 177.5(4) . . . . ?
C25 C26 C27 N5 1.4(8) . . . . ?
