#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:20:41 +0100 (vie 25 de mar de 2016) $
#$Revision: 179811 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/07/7010789.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_7010789
loop_
_publ_author_name
'Byabartta, Prithwiraj'
'Dinda, Joydev'
'Santra, Prasanta Kumar'
'Sinha, Chittaranjan'
'Panneerselvam, Kaliyamoorthy'
'Liao, Fan-Ling'
'Lu, Tian-Huey'
_publ_section_title
;
 Heteroleptic tris-chelates of
 ruthenium(ii)-bipyridine-arylazoimidazoles: Synthesis, spectral
 characterisation and electrochemical properties. Single crystal X-ray
 structure of
 [(2,2'-bipyridine)-bis-{1-methyl-2-(p-tolylazo)imidazole}ruthenium(ii)]
 perchlorate
;
_journal_issue                   19
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2825
_journal_paper_doi               10.1039/b103782j
_journal_year                    2001
_chemical_formula_sum            'C33 H34 Cl4 N10 O8 Ru'
_chemical_formula_weight         941.57
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.834(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.649(2)
_cell_length_b                   12.0387(16)
_cell_length_c                   19.374(2)
_cell_measurement_reflns_used    25883
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.29
_cell_measurement_theta_min      1.18
_cell_volume                     4013.6(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device_type  'Siemens SMART CCD'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0564
_diffrn_reflns_av_sigmaI/netI    0.0703
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            25269
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.18
_exptl_absorpt_coefficient_mu    0.718
_exptl_absorpt_correction_T_max  0.9710
_exptl_absorpt_correction_T_min  0.8783
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'dark blue'
_exptl_crystal_density_diffrn    1.558
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       pillar
_exptl_crystal_F_000             1912
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.247
_refine_diff_density_min         -1.275
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     518
_refine_ls_number_reflns         9575
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.1423
_refine_ls_R_factor_gt           0.0837
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0985P)²+8.0655P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1961
_refine_ls_wR_factor_ref         0.2281
_reflns_number_gt                5763
_reflns_number_total             9575
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b103782j.txt
_cod_data_source_block           fb07m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_original_cell_volume        4013.5(9)
_cod_original_sg_symbol_H-M      P2~1~/c
_cod_database_code               7010789
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.24101(3) 0.11440(4) 0.04430(3) 0.04765(18) Uani 1 1 d . . .
N1 N 0.2659(3) 0.1341(4) -0.0544(3) 0.0493(12) Uani 1 1 d . . .
N2 N 0.2346(3) 0.0634(4) -0.1038(3) 0.0499(12) Uani 1 1 d . . .
N3 N 0.1666(3) 0.0061(4) -0.0176(3) 0.0542(13) Uani 1 1 d . . .
N4 N 0.1436(3) -0.0894(5) -0.1180(3) 0.0622(14) Uani 1 1 d . . .
N5 N 0.1774(3) 0.2584(4) 0.0400(3) 0.0496(12) Uani 1 1 d . . .
N6 N 0.2039(3) 0.3383(4) 0.0822(3) 0.0556(13) Uani 1 1 d . . .
N7 N 0.3153(3) 0.2234(5) 0.1085(3) 0.0547(13) Uani 1 1 d . . .
N8 N 0.3199(4) 0.3783(5) 0.1709(3) 0.0757(17) Uani 1 1 d . . .
N9 N 0.2081(3) 0.0577(4) 0.1355(3) 0.0524(12) Uani 1 1 d . . .
N10 N 0.3176(3) -0.0162(4) 0.0746(3) 0.0542(13) Uani 1 1 d . . .
C1 C 0.3109(4) 0.2178(5) -0.0797(3) 0.0487(14) Uani 1 1 d . . .
C2 C 0.2869(4) 0.2562(6) -0.1489(3) 0.0601(17) Uani 1 1 d . . .
H2 H 0.2415 0.2292 -0.1781 0.072 Uiso 1 1 calc R . .
C3 C 0.3302(5) 0.3332(7) -0.1733(4) 0.072(2) Uani 1 1 d . . .
H3 H 0.3142 0.3585 -0.2196 0.086 Uiso 1 1 calc R . .
C4 C 0.3983(5) 0.3757(6) -0.1309(4) 0.069(2) Uani 1 1 d . . .
C5 C 0.4218(5) 0.3352(6) -0.0617(4) 0.0704(19) Uani 1 1 d . . .
H5 H 0.4677 0.3610 -0.0327 0.084 Uiso 1 1 calc R . .
C6 C 0.3775(4) 0.2575(6) -0.0360(4) 0.0594(17) Uani 1 1 d . . .
H6 H 0.3927 0.2322 0.0104 0.071 Uiso 1 1 calc R . .
C7 C 0.4468(6) 0.4621(8) -0.1586(5) 0.097(3) Uani 1 1 d . . .
H7A H 0.4507 0.4426 -0.2058 0.116 Uiso 1 1 calc R . .
H7B H 0.4979 0.4648 -0.1284 0.116 Uiso 1 1 calc R . .
H7C H 0.4226 0.5336 -0.1593 0.116 Uiso 1 1 calc R . .
C8 C 0.1857(4) -0.0060(5) -0.0803(3) 0.0519(15) Uani 1 1 d . . .
C9 C 0.0967(5) -0.1316(6) -0.0770(4) 0.076(2) Uani 1 1 d . . .
H9 H 0.0617 -0.1900 -0.0888 0.092 Uiso 1 1 calc R . .
C10 C 0.1108(5) -0.0715(7) -0.0154(4) 0.071(2) Uani 1 1 d . . .
H10 H 0.0863 -0.0819 0.0219 0.085 Uiso 1 1 calc R . .
C11 C 0.1500(5) -0.1278(6) -0.1881(4) 0.071(2) Uani 1 1 d . . .
H11A H 0.1883 -0.1856 -0.1831 0.085 Uiso 1 1 calc R . .
H11B H 0.1652 -0.0670 -0.2141 0.085 Uiso 1 1 calc R . .
H11C H 0.1007 -0.1561 -0.2132 0.085 Uiso 1 1 calc R . .
C12 C 0.0993(3) 0.2787(5) 0.0017(3) 0.0483(14) Uani 1 1 d . . .
C13 C 0.0715(4) 0.2339(6) -0.0656(3) 0.0646(18) Uani 1 1 d . . .
H13 H 0.1037 0.1901 -0.0864 0.077 Uiso 1 1 calc R . .
C14 C -0.0039(4) 0.2548(7) -0.1014(4) 0.072(2) Uani 1 1 d . . .
H14 H -0.0219 0.2250 -0.1463 0.086 Uiso 1 1 calc R . .
C15 C -0.0531(4) 0.3189(6) -0.0717(4) 0.0604(17) Uani 1 1 d . . .
C16 C -0.0264(4) 0.3614(6) -0.0047(4) 0.0626(18) Uani 1 1 d . . .
H16 H -0.0596 0.4031 0.0163 0.075 Uiso 1 1 calc R . .
C17 C 0.0497(4) 0.3427(6) 0.0320(4) 0.0583(16) Uani 1 1 d . . .
H17 H 0.0673 0.3730 0.0769 0.070 Uiso 1 1 calc R . .
C18 C -0.1360(5) 0.3398(8) -0.1122(5) 0.088(2) Uani 1 1 d . . .
H18A H -0.1395 0.3279 -0.1618 0.106 Uiso 1 1 calc R . .
H18B H -0.1504 0.4150 -0.1046 0.106 Uiso 1 1 calc R . .
H18C H -0.1705 0.2897 -0.0958 0.106 Uiso 1 1 calc R . .
C19 C 0.2769(4) 0.3132(6) 0.1198(3) 0.0540(15) Uani 1 1 d . . .
C20 C 0.3913(4) 0.3226(8) 0.1923(4) 0.079(2) Uani 1 1 d . . .
H20 H 0.4340 0.3460 0.2266 0.095 Uiso 1 1 calc R . .
C21 C 0.3857(4) 0.2282(7) 0.1533(4) 0.0650(18) Uani 1 1 d . . .
H21 H 0.4246 0.1749 0.1569 0.078 Uiso 1 1 calc R . .
C22 C 0.2964(6) 0.4779(8) 0.2013(5) 0.106(3) Uani 1 1 d . . .
H22A H 0.2407 0.4812 0.1918 0.127 Uiso 1 1 calc R . .
H22B H 0.3159 0.5414 0.1808 0.127 Uiso 1 1 calc R . .
H22C H 0.3169 0.4775 0.2515 0.127 Uiso 1 1 calc R . .
C23 C 0.1501(4) 0.0968(6) 0.1618(4) 0.0651(18) Uani 1 1 d . . .
H23 H 0.1242 0.1602 0.1415 0.078 Uiso 1 1 calc R . .
C24 C 0.1268(5) 0.0484(7) 0.2170(4) 0.078(2) Uani 1 1 d . . .
H24 H 0.0847 0.0767 0.2329 0.094 Uiso 1 1 calc R . .
C25 C 0.1663(5) -0.0426(8) 0.2488(4) 0.085(2) Uani 1 1 d . . .
H25 H 0.1517 -0.0771 0.2868 0.102 Uiso 1 1 calc R . .
C26 C 0.2272(5) -0.0817(6) 0.2236(4) 0.072(2) Uani 1 1 d . . .
H26 H 0.2552 -0.1427 0.2451 0.086 Uiso 1 1 calc R . .
C27 C 0.2481(4) -0.0309(5) 0.1660(3) 0.0527(15) Uani 1 1 d . . .
C28 C 0.3118(4) -0.0682(5) 0.1351(3) 0.0565(16) Uani 1 1 d . . .
C29 C 0.3650(5) -0.1482(7) 0.1643(4) 0.080(2) Uani 1 1 d . . .
H29 H 0.3607 -0.1834 0.2059 0.096 Uiso 1 1 calc R . .
C30 C 0.4244(6) -0.1763(8) 0.1323(5) 0.100(3) Uani 1 1 d . . .
H30 H 0.4604 -0.2303 0.1521 0.120 Uiso 1 1 calc R . .
C31 C 0.4299(5) -0.1239(7) 0.0709(5) 0.091(3) Uani 1 1 d . . .
H31 H 0.4697 -0.1419 0.0485 0.109 Uiso 1 1 calc R . .
C32 C 0.3757(4) -0.0438(6) 0.0427(4) 0.070(2) Uani 1 1 d . . .
H32 H 0.3793 -0.0082 0.0009 0.084 Uiso 1 1 calc R . .
Cl1 Cl 0.04593(13) 0.37709(18) 0.22454(11) 0.0776(5) Uani 1 1 d . . .
O1 O 0.0431(5) 0.4158(6) 0.2926(3) 0.115(2) Uani 1 1 d . . .
O2 O 0.0052(6) 0.2837(8) 0.2059(6) 0.177(4) Uani 1 1 d . . .
O3 O 0.1202(4) 0.3664(8) 0.2142(4) 0.145(3) Uani 1 1 d . . .
O4 O 0.0095(7) 0.4576(10) 0.1771(4) 0.194(5) Uani 1 1 d . . .
Cl2 Cl 0.40658(12) 0.6657(2) 0.35281(12) 0.0902(7) Uani 1 1 d . . .
O5 O 0.4376(5) 0.6581(10) 0.2921(4) 0.167(4) Uani 1 1 d . . .
O6 O 0.4549(5) 0.7203(11) 0.4073(4) 0.192(5) Uani 1 1 d . . .
O7 O 0.3927(9) 0.5620(11) 0.3745(5) 0.236(7) Uani 1 1 d . . .
O8 O 0.3372(6) 0.7139(11) 0.3304(7) 0.214(5) Uani 1 1 d . . .
C33 C 0.3024(10) 0.5974(16) -0.0465(9) 0.185(7) Uani 1 1 d . . .
Cl3 Cl 0.3514(3) 0.5597(5) 0.0373(3) 0.2031(19) Uani 1 1 d . . .
Cl41 Cl 0.2323(8) 0.6747(14) -0.0458(7) 0.277(8) Uani 0.50 1 d P . .
Cl42 Cl 0.2088(6) 0.5279(12) -0.0616(4) 0.201(4) Uani 0.50 1 d P . .
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'
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'
Cl Cl 0.1484 0.1585 '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
N3 Ru1 N5 103.9(2) . . ?
N3 Ru1 N7 178.9(2) . . ?
N5 Ru1 N7 75.9(2) . . ?
N3 Ru1 N1 76.8(2) . . ?
N5 Ru1 N1 95.26(18) . . ?
N7 Ru1 N1 104.3(2) . . ?
N3 Ru1 N10 88.6(2) . . ?
N5 Ru1 N10 165.2(2) . . ?
N7 Ru1 N10 91.4(2) . . ?
N1 Ru1 N10 95.15(19) . . ?
N3 Ru1 N9 91.4(2) . . ?
N5 Ru1 N9 93.33(19) . . ?
N7 Ru1 N9 87.5(2) . . ?
N1 Ru1 N9 166.8(2) . . ?
N10 Ru1 N9 78.4(2) . . ?
N2 N1 C1 112.6(5) . . ?
N2 N1 Ru1 117.3(4) . . ?
C1 N1 Ru1 130.1(4) . . ?
N1 N2 C8 110.7(5) . . ?
C8 N3 C10 106.4(6) . . ?
C8 N3 Ru1 110.1(4) . . ?
C10 N3 Ru1 142.6(5) . . ?
C8 N4 C9 107.0(6) . . ?
C8 N4 C11 125.8(6) . . ?
C9 N4 C11 127.2(6) . . ?
N6 N5 C12 112.0(5) . . ?
N6 N5 Ru1 119.3(4) . . ?
C12 N5 Ru1 128.2(4) . . ?
N5 N6 C19 109.9(5) . . ?
C19 N7 C21 107.0(6) . . ?
C19 N7 Ru1 109.8(4) . . ?
C21 N7 Ru1 141.7(5) . . ?
C19 N8 C20 105.1(6) . . ?
C19 N8 C22 128.0(7) . . ?
C20 N8 C22 126.7(7) . . ?
C23 N9 C27 119.3(5) . . ?
C23 N9 Ru1 126.2(4) . . ?
C27 N9 Ru1 114.4(4) . . ?
C32 N10 C28 119.6(6) . . ?
C32 N10 Ru1 124.8(5) . . ?
C28 N10 Ru1 115.2(4) . . ?
C6 C1 C2 120.9(6) . . ?
C6 C1 N1 119.8(5) . . ?
C2 C1 N1 119.3(6) . . ?
C3 C2 C1 119.3(7) . . ?
C3 C2 H2 120.4 . . ?
C1 C2 H2 120.4 . . ?
C2 C3 C4 121.8(7) . . ?
C2 C3 H3 119.1 . . ?
C4 C3 H3 119.1 . . ?
C3 C4 C5 118.0(7) . . ?
C3 C4 C7 121.6(7) . . ?
C5 C4 C7 120.4(8) . . ?
C6 C5 C4 120.7(7) . . ?
C6 C5 H5 119.7 . . ?
C4 C5 H5 119.7 . . ?
C1 C6 C5 119.3(6) . . ?
C1 C6 H6 120.4 . . ?
C5 C6 H6 120.4 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N3 C8 N2 123.2(6) . . ?
N3 C8 N4 110.5(6) . . ?
N2 C8 N4 126.1(6) . . ?
N4 C9 C10 107.1(7) . . ?
N4 C9 H9 126.5 . . ?
C10 C9 H9 126.5 . . ?
N3 C10 C9 109.1(6) . . ?
N3 C10 H10 125.4 . . ?
C9 C10 H10 125.4 . . ?
N4 C11 H11A 109.5 . . ?
N4 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
N4 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C17 C12 C13 119.0(6) . . ?
C17 C12 N5 120.0(5) . . ?
C13 C12 N5 121.0(6) . . ?
C14 C13 C12 119.9(6) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C14 C15 121.2(7) . . ?
C13 C14 H14 119.4 . . ?
C15 C14 H14 119.4 . . ?
C16 C15 C14 119.1(6) . . ?
C16 C15 C18 120.9(7) . . ?
C14 C15 C18 120.0(7) . . ?
C15 C16 C17 120.7(6) . . ?
C15 C16 H16 119.6 . . ?
C17 C16 H16 119.6 . . ?
C16 C17 C12 120.1(6) . . ?
C16 C17 H17 120.0 . . ?
C12 C17 H17 120.0 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N7 C19 N8 111.6(6) . . ?
N7 C19 N6 123.5(6) . . ?
N8 C19 N6 124.8(6) . . ?
C21 C20 N8 106.6(7) . . ?
C21 C20 H20 126.7 . . ?
N8 C20 H20 126.7 . . ?
N7 C21 C20 109.6(7) . . ?
N7 C21 H21 125.2 . . ?
C20 C21 H21 125.2 . . ?
N8 C22 H22A 109.5 . . ?
N8 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
N8 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N9 C23 C24 122.9(7) . . ?
N9 C23 H23 118.5 . . ?
C24 C23 H23 118.5 . . ?
C23 C24 C25 119.0(7) . . ?
C23 C24 H24 120.5 . . ?
C25 C24 H24 120.5 . . ?
C26 C25 C24 118.7(7) . . ?
C26 C25 H25 120.7 . . ?
C24 C25 H25 120.7 . . ?
C25 C26 C27 120.4(7) . . ?
C25 C26 H26 119.8 . . ?
C27 C26 H26 119.8 . . ?
N9 C27 C26 119.7(6) . . ?
N9 C27 C28 116.3(5) . . ?
C26 C27 C28 124.0(6) . . ?
N10 C28 C29 120.2(7) . . ?
N10 C28 C27 115.3(5) . . ?
C29 C28 C27 124.5(6) . . ?
C30 C29 C28 120.5(8) . . ?
C30 C29 H29 119.8 . . ?
C28 C29 H29 119.8 . . ?
C31 C30 C29 119.2(8) . . ?
C31 C30 H30 120.4 . . ?
C29 C30 H30 120.4 . . ?
C30 C31 C32 119.2(8) . . ?
C30 C31 H31 120.4 . . ?
C32 C31 H31 120.4 . . ?
N10 C32 C31 121.3(7) . . ?
N10 C32 H32 119.4 . . ?
C31 C32 H32 119.4 . . ?
O2 Cl1 O3 110.8(6) . . ?
O2 Cl1 O4 105.4(8) . . ?
O3 Cl1 O4 106.5(7) . . ?
O2 Cl1 O1 113.6(5) . . ?
O3 Cl1 O1 113.5(5) . . ?
O4 Cl1 O1 106.2(5) . . ?
O8 Cl2 O7 106.5(9) . . ?
O8 Cl2 O6 114.2(8) . . ?
O7 Cl2 O6 109.1(7) . . ?
O8 Cl2 O5 104.8(7) . . ?
O7 Cl2 O5 109.3(8) . . ?
O6 Cl2 O5 112.6(5) . . ?
Cl41 C33 Cl3 112.7(12) . . ?
Cl41 C33 Cl42 65.1(10) . . ?
Cl3 C33 Cl42 106.2(10) . . ?
C33 Cl41 Cl42 64.5(10) . . ?
C33 Cl42 Cl41 50.4(7) . . ?
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 N3 2.040(5) . ?
Ru1 N5 2.057(5) . ?
Ru1 N7 2.066(6) . ?
Ru1 N1 2.069(5) . ?
Ru1 N10 2.072(5) . ?
Ru1 N9 2.094(5) . ?
N1 N2 1.309(7) . ?
N1 C1 1.434(7) . ?
N2 C8 1.350(8) . ?
N3 C8 1.339(8) . ?
N3 C10 1.365(9) . ?
N4 C8 1.361(8) . ?
N4 C9 1.365(9) . ?
N4 C11 1.464(9) . ?
N5 N6 1.282(7) . ?
N5 C12 1.434(8) . ?
N6 C19 1.365(8) . ?
N7 C19 1.319(8) . ?
N7 C21 1.350(8) . ?
N8 C19 1.356(9) . ?
N8 C20 1.406(10) . ?
N8 C22 1.436(10) . ?
N9 C23 1.326(8) . ?
N9 C27 1.341(8) . ?
N10 C32 1.351(8) . ?
N10 C28 1.353(8) . ?
C1 C6 1.373(9) . ?
C1 C2 1.394(8) . ?
C2 C3 1.352(10) . ?
C2 H2 0.9300 . ?
C3 C4 1.393(11) . ?
C3 H3 0.9300 . ?
C4 C5 1.401(10) . ?
C4 C7 1.520(11) . ?
C5 C6 1.381(10) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C9 C10 1.370(11) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C17 1.391(9) . ?
C12 C13 1.397(9) . ?
C13 C14 1.379(9) . ?
C13 H13 0.9300 . ?
C14 C15 1.379(10) . ?
C14 H14 0.9300 . ?
C15 C16 1.377(10) . ?
C15 C18 1.521(9) . ?
C16 C17 1.390(9) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C20 C21 1.357(11) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C24 1.360(9) . ?
C23 H23 0.9300 . ?
C24 C25 1.369(11) . ?
C24 H24 0.9300 . ?
C25 C26 1.360(11) . ?
C25 H25 0.9300 . ?
C26 C27 1.393(9) . ?
C26 H26 0.9300 . ?
C27 C28 1.456(9) . ?
C28 C29 1.375(10) . ?
C29 C30 1.373(12) . ?
C29 H29 0.9300 . ?
C30 C31 1.369(13) . ?
C30 H30 0.9300 . ?
C31 C32 1.383(10) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
Cl1 O2 1.340(7) . ?
Cl1 O3 1.376(8) . ?
Cl1 O4 1.391(9) . ?
Cl1 O1 1.409(6) . ?
Cl2 O8 1.338(10) . ?
Cl2 O7 1.357(11) . ?
Cl2 O6 1.370(8) . ?
Cl2 O5 1.406(8) . ?
C33 Cl41 1.551(17) . ?
C33 Cl3 1.722(16) . ?
C33 Cl42 1.82(2) . ?
Cl41 Cl42 1.825(19) . ?
