#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:16:28 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180032 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/26/7032660.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_7032660
loop_
_publ_author_name
'Du, Kejie'
'Liang, Jiewen'
'Wang, Yi'
'Kou, Junfeng'
'Qian, Chen'
'Ji, Liangnian'
'Chao, Hui'
_publ_section_title
;
 Dual inhibition of topoisomerases I and IIα by ruthenium(ii) complexes
 containing asymmetric tridentate ligands.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17303
_journal_page_last               17316
_journal_paper_doi               10.1039/c4dt02142h
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         '[Ru~2(dtzp)~2(ptn)~2](ClO~4)~4'
_chemical_formula_sum            'C68 H40 Cl4 N16 O16 Ru2 S4'
_chemical_formula_weight         1809.34
_chemical_name_systematic        'Ru complexes'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 94.548(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.6833(3)
_cell_length_b                   15.8983(3)
_cell_length_c                   23.6944(4)
_cell_measurement_reflns_used    6763
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      61.2
_cell_measurement_theta_min      3.6
_cell_volume                     7015.9(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0311
_diffrn_reflns_av_sigmaI/netI    0.0315
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            15365
_diffrn_reflns_theta_full        59.99
_diffrn_reflns_theta_max         59.99
_diffrn_reflns_theta_min         3.66
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.705
_exptl_absorpt_correction_T_max  0.4134
_exptl_absorpt_correction_T_min  0.2745
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            dark_brown
_exptl_crystal_density_diffrn    1.713
_exptl_crystal_density_meas      1.68
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3632
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.542
_refine_diff_density_min         -0.709
_refine_diff_density_rms         0.105
_refine_ls_extinction_coef       0.3
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     548
_refine_ls_number_reflns         5209
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.102
_refine_ls_R_factor_all          0.0599
_refine_ls_R_factor_gt           0.0554
_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)+(0.1037P)²+24.8011P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1610
_refine_ls_wR_factor_ref         0.1663
_reflns_number_gt                4710
_reflns_number_total             5209
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt02142h2.cif
_cod_data_source_block           Ru(dtzp)ptn
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2827 2014-09-09 07:05:25Z andrius 

 Adding full bibliography for 7032660--7032662.cif.
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7032660
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ru1 Ru 0.23989(2) 0.02243(3) 0.081198(17) 0.0455(2) Uani 1 1 d .
S1 S 0.10540(10) 0.09048(16) 0.22155(8) 0.0819(6) Uani 1 1 d .
S2 S 0.23339(8) 0.15616(10) -0.08613(6) 0.0552(4) Uani 1 1 d .
Cl1 Cl 0.06713(9) 0.02093(11) 0.38174(7) 0.0680(5) Uani 1 1 d D
Cl2 Cl 0.1470(2) 0.34122(19) 0.22956(11) 0.0655(9) Uani 0.50 1 d PD
Cl3 Cl 0.5000 0.0000 0.0000 0.0977(10) Uani 1 2 d SD
O1 O 0.0409(5) -0.0326(4) 0.3379(3) 0.126(3) Uani 1 1 d D
O2 O 0.0868(6) -0.0359(7) 0.4276(4) 0.189(5) Uani 1 1 d DU
O3 O 0.0176(4) 0.0742(6) 0.4040(3) 0.141(3) Uani 1 1 d D
O4 O 0.1343(4) 0.0530(7) 0.3691(5) 0.086(3) Uani 0.50 1 d PD
O5 O 0.1201(9) 0.2647(7) 0.2508(5) 0.130(5) Uani 0.50 1 d PD
O6 O 0.1506(6) 0.4041(6) 0.2725(4) 0.088(3) Uani 0.50 1 d PD
O7 O 0.0972(5) 0.3688(6) 0.1840(4) 0.077(3) Uani 0.50 1 d PD
O8 O 0.2133(5) 0.3302(9) 0.2089(4) 0.110(4) Uani 0.50 1 d PD
O9 O 0.4472(5) 0.0609(7) 0.0232(4) 0.091(3) Uani 0.50 1 d PD
O10 O 0.4472(5) -0.0585(6) 0.0145(4) 0.074(3) Uani 0.50 1 d PD
O11 O 0.5311(6) -0.0332(7) 0.0557(4) 0.086(3) Uani 0.50 1 d PD
O12 O 0.5362(8) 0.0572(9) 0.0342(7) 0.127(5) Uani 0.50 1 d PD
O13 O 0.0654(11) 0.0943(9) 0.3393(6) 0.133(5) Uani 0.50 1 d PU
N1 N 0.1634(3) -0.0702(3) 0.0556(2) 0.0526(11) Uani 1 1 d .
N2 N 0.2982(2) -0.0804(3) 0.09295(19) 0.0481(11) Uani 1 1 d .
N3 N 0.3375(2) 0.0700(3) 0.11347(19) 0.0468(10) Uani 1 1 d .
N4 N 0.3536(3) 0.1502(3) 0.1221(2) 0.0525(11) Uani 1 1 d .
N5 N 0.4547(3) 0.0252(3) 0.1500(2) 0.0572(13) Uani 1 1 d .
N6 N 0.2580(2) 0.0593(3) -0.0009(2) 0.0479(10) Uani 1 1 d .
N7 N 0.1770(2) 0.1240(3) 0.07026(19) 0.0475(11) Uani 1 1 d .
N8 N 0.1937(3) 0.0270(3) 0.1574(2) 0.0545(12) Uani 1 1 d .
C1 C 0.0933(3) -0.0647(4) 0.0394(3) 0.0618(16) Uani 1 1 d .
H1 H 0.0722 -0.0106 0.0347 0.074 Uiso 1 1 calc R
C2 C 0.0502(4) -0.1352(5) 0.0292(3) 0.0718(18) Uani 1 1 d .
H2 H 0.0007 -0.1285 0.0177 0.086 Uiso 1 1 calc R
C3 C 0.0788(4) -0.2137(5) 0.0355(3) 0.0729(19) Uani 1 1 d .
H3 H 0.0492 -0.2619 0.0288 0.087 Uiso 1 1 calc R
C4 C 0.1519(4) -0.2232(4) 0.0519(3) 0.0649(17) Uani 1 1 d .
C5 C 0.1920(3) -0.1493(4) 0.0623(2) 0.0548(14) Uani 1 1 d .
C6 C 0.2660(3) -0.1545(4) 0.0813(2) 0.0525(13) Uani 1 1 d .
C7 C 0.1879(4) -0.3005(4) 0.0601(3) 0.0746(19) Uani 1 1 d .
H7 H 0.1614 -0.3510 0.0533 0.090 Uiso 1 1 calc R
C8 C 0.2580(5) -0.3060(4) 0.0769(3) 0.081(2) Uani 1 1 d .
H8 H 0.2797 -0.3599 0.0811 0.097 Uiso 1 1 calc R
C9 C 0.3012(4) -0.2319(4) 0.0888(3) 0.0632(16) Uani 1 1 d .
C10 C 0.3752(4) -0.2269(4) 0.1076(3) 0.0687(18) Uani 1 1 d .
H10 H 0.4027 -0.2771 0.1122 0.082 Uiso 1 1 calc R
C11 C 0.4075(4) -0.1508(4) 0.1192(3) 0.0620(16) Uani 1 1 d .
H11 H 0.4571 -0.1481 0.1315 0.074 Uiso 1 1 calc R
C12 C 0.3668(3) -0.0771(4) 0.1129(2) 0.0516(13) Uani 1 1 d .
C13 C 0.3895(3) 0.0093(4) 0.1266(3) 0.0501(13) Uani 1 1 d .
C14 C 0.4715(3) 0.1059(4) 0.1583(3) 0.0561(14) Uani 1 1 d .
C15 C 0.5439(3) 0.1291(5) 0.1808(3) 0.0653(17) Uani 1 1 d .
C16 C 0.5970(4) 0.0685(5) 0.1943(4) 0.087(3) Uani 1 1 d .
H16 H 0.5861 0.0105 0.1891 0.105 Uiso 1 1 calc R
C17 C 0.6637(4) 0.0920(6) 0.2148(4) 0.099(3) Uani 1 1 d .
H17 H 0.6991 0.0502 0.2239 0.118 Uiso 1 1 calc R
C18 C 0.6811(4) 0.1761(6) 0.2228(4) 0.093(3) Uani 1 1 d .
H18 H 0.7284 0.1914 0.2369 0.111 Uiso 1 1 calc R
C19 C 0.6298(4) 0.2383(5) 0.2103(3) 0.082(2) Uani 1 1 d .
H19 H 0.6415 0.2959 0.2163 0.098 Uiso 1 1 calc R
C20 C 0.5595(3) 0.2144(5) 0.1883(3) 0.0658(17) Uani 1 1 d .
C21 C 0.5070(4) 0.2766(5) 0.1734(3) 0.0695(18) Uani 1 1 d .
H21 H 0.5194 0.3343 0.1783 0.083 Uiso 1 1 calc R
C22 C 0.4391(4) 0.2559(4) 0.1523(3) 0.0659(17) Uani 1 1 d .
H22 H 0.4045 0.2986 0.1431 0.079 Uiso 1 1 calc R
C23 C 0.4206(3) 0.1694(4) 0.1442(3) 0.0552(14) Uani 1 1 d .
C24 C 0.1951(4) -0.0241(5) 0.2040(3) 0.0663(18) Uani 1 1 d .
H24 H 0.2243 -0.0729 0.2084 0.080 Uiso 1 1 calc R
C25 C 0.1509(4) 0.0013(6) 0.2430(3) 0.083(2) Uani 1 1 d .
H25 H 0.1458 -0.0266 0.2779 0.099 Uiso 1 1 calc R
C26 C 0.1476(3) 0.0908(4) 0.1609(3) 0.0580(15) Uani 1 1 d .
C27 C 0.1365(3) 0.1479(4) 0.1127(2) 0.0529(14) Uani 1 1 d .
C28 C 0.0911(3) 0.2161(4) 0.1055(3) 0.0614(16) Uani 1 1 d .
H28 H 0.0627 0.2330 0.1350 0.074 Uiso 1 1 calc R
C29 C 0.0873(3) 0.2598(4) 0.0546(3) 0.0603(16) Uani 1 1 d .
H29 H 0.0568 0.3075 0.0495 0.072 Uiso 1 1 calc R
C30 C 0.1279(3) 0.2340(4) 0.0109(3) 0.0542(14) Uani 1 1 d .
H30 H 0.1250 0.2631 -0.0243 0.065 Uiso 1 1 calc R
C31 C 0.1727(3) 0.1651(3) 0.0198(2) 0.0467(12) Uani 1 1 d .
C32 C 0.2194(3) 0.1260(3) -0.0181(2) 0.0462(12) Uani 1 1 d .
C33 C 0.2928(3) 0.0765(4) -0.0905(3) 0.0604(15) Uani 1 1 d .
H33 H 0.3179 0.0648 -0.1229 0.073 Uiso 1 1 calc R
C34 C 0.3000(3) 0.0311(4) -0.0411(3) 0.0526(14) Uani 1 1 d .
H34 H 0.3315 -0.0156 -0.0356 0.063 Uiso 1 1 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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 '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
N2 Ru1 N7 177.52(18) . .
N2 Ru1 N3 77.85(18) . .
N7 Ru1 N3 104.15(17) . .
N2 Ru1 N8 99.83(19) . .
N7 Ru1 N8 78.63(19) . .
N3 Ru1 N8 94.67(18) . .
N2 Ru1 N6 103.65(18) . .
N7 Ru1 N6 77.84(19) . .
N3 Ru1 N6 92.24(17) . .
N8 Ru1 N6 156.4(2) . .
N2 Ru1 N1 79.39(19) . .
N7 Ru1 N1 98.56(18) . .
N3 Ru1 N1 157.17(19) . .
N8 Ru1 N1 87.43(19) . .
N6 Ru1 N1 94.84(18) . .
C26 S1 C25 90.1(4) . .
C33 S2 C32 89.9(3) . .
O3 Cl1 O1 116.5(5) . .
O3 Cl1 O4 119.5(6) . .
O1 Cl1 O4 109.2(5) . .
O3 Cl1 O2 103.6(6) . .
O1 Cl1 O2 103.4(6) . .
O4 Cl1 O2 102.1(7) . .
O8 Cl2 O5 111.6(10) . .
O8 Cl2 O6 110.5(8) . .
O5 Cl2 O6 110.2(7) . .
O8 Cl2 O7 108.6(6) . .
O5 Cl2 O7 107.5(8) . .
O6 Cl2 O7 108.2(6) . .
O12 Cl3 O12 180.0(12) . 5_655
O12 Cl3 O10 52.0(7) . 5_655
O12 Cl3 O10 128.0(7) 5_655 5_655
O12 Cl3 O10 128.0(7) . .
O12 Cl3 O10 52.0(7) 5_655 .
O10 Cl3 O10 180.0(9) 5_655 .
O12 Cl3 O11 64.6(9) . .
O12 Cl3 O11 115.4(9) 5_655 .
O10 Cl3 O11 102.4(6) 5_655 .
O10 Cl3 O11 77.6(6) . .
O12 Cl3 O11 115.4(9) . 5_655
O12 Cl3 O11 64.6(9) 5_655 5_655
O10 Cl3 O11 77.6(6) 5_655 5_655
O10 Cl3 O11 102.4(6) . 5_655
O11 Cl3 O11 180.0(9) . 5_655
O12 Cl3 O9 70.4(8) . .
O12 Cl3 O9 109.6(8) 5_655 .
O10 Cl3 O9 98.9(6) 5_655 .
O10 Cl3 O9 81.1(6) . .
O11 Cl3 O9 97.1(5) . .
O11 Cl3 O9 82.9(5) 5_655 .
O12 Cl3 O9 109.6(8) . 5_655
O12 Cl3 O9 70.4(8) 5_655 5_655
O10 Cl3 O9 81.1(6) 5_655 5_655
O10 Cl3 O9 98.9(6) . 5_655
O11 Cl3 O9 82.9(5) . 5_655
O11 Cl3 O9 97.1(5) 5_655 5_655
O9 Cl3 O9 180.0(9) . 5_655
O12 O10 Cl3 61.6(5) 5_655 .
O10 O12 Cl3 66.4(7) 5_655 .
C1 N1 C5 117.2(5) . .
C1 N1 Ru1 131.5(4) . .
C5 N1 Ru1 111.0(4) . .
C12 N2 C6 120.8(5) . .
C12 N2 Ru1 121.5(4) . .
C6 N2 Ru1 117.7(4) . .
N4 N3 C13 119.3(5) . .
N4 N3 Ru1 126.5(3) . .
C13 N3 Ru1 114.2(4) . .
N3 N4 C23 118.0(5) . .
C13 N5 C14 116.4(5) . .
C32 N6 C34 112.2(5) . .
C32 N6 Ru1 112.7(4) . .
C34 N6 Ru1 135.0(4) . .
C31 N7 C27 121.2(5) . .
C31 N7 Ru1 119.7(4) . .
C27 N7 Ru1 119.0(4) . .
C26 N8 C24 111.8(6) . .
C26 N8 Ru1 113.4(4) . .
C24 N8 Ru1 134.6(5) . .
N1 C1 C2 122.5(7) . .
N1 C1 H1 118.7 . .
C2 C1 H1 118.7 . .
C3 C2 C1 120.2(7) . .
C3 C2 H2 119.9 . .
C1 C2 H2 119.9 . .
C2 C3 C4 119.7(6) . .
C2 C3 H3 120.2 . .
C4 C3 H3 120.2 . .
C3 C4 C5 117.0(6) . .
C3 C4 C7 125.3(6) . .
C5 C4 C7 117.7(6) . .
N1 C5 C4 123.3(6) . .
N1 C5 C6 116.8(5) . .
C4 C5 C6 119.9(6) . .
N2 C6 C9 123.1(6) . .
N2 C6 C5 115.1(5) . .
C9 C6 C5 121.8(6) . .
C8 C7 C4 122.8(7) . .
C8 C7 H7 118.6 . .
C4 C7 H7 118.6 . .
C7 C8 C9 121.6(7) . .
C7 C8 H8 119.2 . .
C9 C8 H8 119.2 . .
C6 C9 C10 115.3(6) . .
C6 C9 C8 116.2(6) . .
C10 C9 C8 128.5(6) . .
C11 C10 C9 120.9(6) . .
C11 C10 H10 119.5 . .
C9 C10 H10 119.5 . .
C10 C11 C12 119.5(6) . .
C10 C11 H11 120.3 . .
C12 C11 H11 120.3 . .
N2 C12 C11 120.3(6) . .
N2 C12 C13 111.7(5) . .
C11 C12 C13 128.0(6) . .
N5 C13 N3 124.6(6) . .
N5 C13 C12 120.9(5) . .
N3 C13 C12 114.6(5) . .
N5 C14 C23 120.6(5) . .
N5 C14 C15 119.8(6) . .
C23 C14 C15 119.5(6) . .
C20 C15 C16 120.1(6) . .
C20 C15 C14 118.1(6) . .
C16 C15 C14 121.8(7) . .
C17 C16 C15 120.5(8) . .
C17 C16 H16 119.8 . .
C15 C16 H16 119.8 . .
C16 C17 C18 121.0(8) . .
C16 C17 H17 119.5 . .
C18 C17 H17 119.5 . .
C17 C18 C19 120.4(7) . .
C17 C18 H18 119.8 . .
C19 C18 H18 119.8 . .
C18 C19 C20 119.1(8) . .
C18 C19 H19 120.4 . .
C20 C19 H19 120.4 . .
C15 C20 C21 120.9(6) . .
C15 C20 C19 118.9(7) . .
C21 C20 C19 120.2(7) . .
C22 C21 C20 121.7(6) . .
C22 C21 H21 119.1 . .
C20 C21 H21 119.1 . .
C21 C22 C23 119.2(6) . .
C21 C22 H22 120.4 . .
C23 C22 H22 120.4 . .
N4 C23 C14 121.1(5) . .
N4 C23 C22 118.4(5) . .
C14 C23 C22 120.5(5) . .
C25 C24 N8 113.6(7) . .
C25 C24 H24 123.2 . .
N8 C24 H24 123.2 . .
C24 C25 S1 111.2(6) . .
C24 C25 H25 124.4 . .
S1 C25 H25 124.4 . .
N8 C26 C27 118.4(5) . .
N8 C26 S1 113.3(5) . .
C27 C26 S1 128.2(5) . .
N7 C27 C28 120.0(6) . .
N7 C27 C26 110.6(5) . .
C28 C27 C26 129.4(6) . .
C27 C28 C29 119.4(6) . .
C27 C28 H28 120.3 . .
C29 C28 H28 120.3 . .
C28 C29 C30 120.3(6) . .
C28 C29 H29 119.9 . .
C30 C29 H29 119.9 . .
C31 C30 C29 118.5(6) . .
C31 C30 H30 120.7 . .
C29 C30 H30 120.7 . .
N7 C31 C30 120.5(5) . .
N7 C31 C32 110.1(5) . .
C30 C31 C32 129.4(5) . .
N6 C32 C31 119.6(5) . .
N6 C32 S2 113.0(4) . .
C31 C32 S2 127.4(4) . .
C34 C33 S2 111.2(5) . .
C34 C33 H33 124.4 . .
S2 C33 H33 124.4 . .
N6 C34 C33 113.7(5) . .
N6 C34 H34 123.2 . .
C33 C34 H34 123.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 N2 1.973(5) .
Ru1 N7 2.001(5) .
Ru1 N3 2.064(4) .
Ru1 N8 2.064(5) .
Ru1 N6 2.085(5) .
Ru1 N1 2.108(5) .
S1 C26 1.692(6) .
S1 C25 1.709(10) .
S2 C33 1.692(7) .
S2 C32 1.721(6) .
Cl1 O3 1.389(6) .
Cl1 O1 1.401(6) .
Cl1 O4 1.409(7) .
Cl1 O2 1.437(7) .
Cl2 O8 1.378(9) .
Cl2 O5 1.424(9) .
Cl2 O6 1.424(8) .
Cl2 O7 1.437(8) .
Cl3 O12 1.361(9) .
Cl3 O12 1.361(9) 5_655
Cl3 O10 1.418(7) 5_655
Cl3 O10 1.418(7) .
Cl3 O11 1.495(8) .
Cl3 O11 1.495(8) 5_655
Cl3 O9 1.516(8) .
Cl3 O9 1.516(8) 5_655
O10 O12 1.218(17) 5_655
O12 O10 1.218(17) 5_655
N1 C1 1.337(8) .
N1 C5 1.371(8) .
N2 C12 1.330(7) .
N2 C6 1.342(8) .
N3 N4 1.322(7) .
N3 C13 1.388(7) .
N4 C23 1.354(7) .
N5 C13 1.323(8) .
N5 C14 1.332(8) .
N6 C32 1.328(7) .
N6 C34 1.357(8) .
N7 C31 1.360(7) .
N7 C27 1.361(7) .
N8 C26 1.337(8) .
N8 C24 1.369(8) .
C1 C2 1.389(9) .
C1 H1 0.9500 .
C2 C3 1.362(11) .
C2 H2 0.9500 .
C3 C4 1.399(10) .
C3 H3 0.9500 .
C4 C5 1.404(9) .
C4 C7 1.407(10) .
C5 C6 1.421(9) .
C6 C9 1.400(9) .
C7 C8 1.340(11) .
C7 H7 0.9500 .
C8 C9 1.444(10) .
C8 H8 0.9500 .
C9 C10 1.421(10) .
C10 C11 1.370(10) .
C10 H10 0.9500 .
C11 C12 1.399(9) .
C11 H11 0.9500 .
C12 C13 1.467(9) .
C14 C23 1.409(8) .
C14 C15 1.460(8) .
C15 C20 1.395(10) .
C15 C16 1.402(10) .
C16 C17 1.355(11) .
C16 H16 0.9500 .
C17 C18 1.384(13) .
C17 H17 0.9500 .
C18 C19 1.393(12) .
C18 H18 0.9500 .
C19 C20 1.426(9) .
C19 H19 0.9500 .
C20 C21 1.417(10) .
C21 C22 1.368(9) .
C21 H21 0.9500 .
C22 C23 1.426(9) .
C22 H22 0.9500 .
C24 C25 1.349(11) .
C24 H24 0.9500 .
C25 H25 0.9500 .
C26 C27 1.461(9) .
C27 C28 1.378(9) .
C28 C29 1.389(10) .
C28 H28 0.9500 .
C29 C30 1.393(9) .
C29 H29 0.9500 .
C30 C31 1.385(8) .
C30 H30 0.9500 .
C31 C32 1.441(8) .
C33 C34 1.373(9) .
C33 H33 0.9500 .
C34 H34 0.9500 .
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_4
O12 Cl3 O10 O12 180.0 . 5_655
O10 Cl3 O10 O12 -27(100) 5_655 5_655
O11 Cl3 O10 O12 -137.0(11) . 5_655
O11 Cl3 O10 O12 43.0(11) 5_655 5_655
O9 Cl3 O10 O12 123.6(11) . 5_655
O9 Cl3 O10 O12 -56.4(11) 5_655 5_655
O12 Cl3 O12 O10 6(53) 5_655 5_655
O10 Cl3 O12 O10 180.0 . 5_655
O11 Cl3 O12 O10 132.5(11) . 5_655
O11 Cl3 O12 O10 -47.5(11) 5_655 5_655
O9 Cl3 O12 O10 -119.2(11) . 5_655
O9 Cl3 O12 O10 60.8(11) 5_655 5_655
N2 Ru1 N1 C1 175.8(6) . .
N7 Ru1 N1 C1 -2.7(6) . .
N3 Ru1 N1 C1 171.3(5) . .
N8 Ru1 N1 C1 75.3(6) . .
N6 Ru1 N1 C1 -81.2(6) . .
N2 Ru1 N1 C5 2.3(4) . .
N7 Ru1 N1 C5 -176.3(4) . .
N3 Ru1 N1 C5 -2.3(7) . .
N8 Ru1 N1 C5 -98.2(4) . .
N6 Ru1 N1 C5 105.3(4) . .
N7 Ru1 N2 C12 -145(4) . .
N3 Ru1 N2 C12 -1.2(4) . .
N8 Ru1 N2 C12 -93.9(4) . .
N6 Ru1 N2 C12 88.2(4) . .
N1 Ru1 N2 C12 -179.4(5) . .
N7 Ru1 N2 C6 34(4) . .
N3 Ru1 N2 C6 177.4(4) . .
N8 Ru1 N2 C6 84.7(4) . .
N6 Ru1 N2 C6 -93.3(4) . .
N1 Ru1 N2 C6 -0.8(4) . .
N2 Ru1 N3 N4 179.0(5) . .
N7 Ru1 N3 N4 -2.5(5) . .
N8 Ru1 N3 N4 -82.0(5) . .
N6 Ru1 N3 N4 75.5(5) . .
N1 Ru1 N3 N4 -176.4(4) . .
N2 Ru1 N3 C13 -0.9(4) . .
N7 Ru1 N3 C13 177.6(4) . .
N8 Ru1 N3 C13 98.2(4) . .
N6 Ru1 N3 C13 -104.3(4) . .
N1 Ru1 N3 C13 3.7(7) . .
C13 N3 N4 C23 -0.8(8) . .
Ru1 N3 N4 C23 179.4(4) . .
N2 Ru1 N6 C32 176.4(3) . .
N7 Ru1 N6 C32 -1.6(3) . .
N3 Ru1 N6 C32 -105.6(4) . .
N8 Ru1 N6 C32 1.5(7) . .
N1 Ru1 N6 C32 96.1(4) . .
N2 Ru1 N6 C34 -3.7(6) . .
N7 Ru1 N6 C34 178.4(5) . .
N3 Ru1 N6 C34 74.4(5) . .
N8 Ru1 N6 C34 -178.6(5) . .
N1 Ru1 N6 C34 -83.9(5) . .
N2 Ru1 N7 C31 -125(4) . .
N3 Ru1 N7 C31 91.2(4) . .
N8 Ru1 N7 C31 -176.8(4) . .
N6 Ru1 N7 C31 2.0(4) . .
N1 Ru1 N7 C31 -91.2(4) . .
N2 Ru1 N7 C27 51(4) . .
N3 Ru1 N7 C27 -92.1(4) . .
N8 Ru1 N7 C27 -0.1(4) . .
N6 Ru1 N7 C27 178.6(4) . .
N1 Ru1 N7 C27 85.5(4) . .
N2 Ru1 N8 C26 -177.6(4) . .
N7 Ru1 N8 C26 0.5(4) . .
N3 Ru1 N8 C26 104.0(4) . .
N6 Ru1 N8 C26 -2.6(7) . .
N1 Ru1 N8 C26 -98.8(4) . .
N2 Ru1 N8 C24 -3.7(6) . .
N7 Ru1 N8 C24 174.4(6) . .
N3 Ru1 N8 C24 -82.1(6) . .
N6 Ru1 N8 C24 171.3(5) . .
N1 Ru1 N8 C24 75.1(6) . .
C5 N1 C1 C2 -0.4(9) . .
Ru1 N1 C1 C2 -173.7(5) . .
N1 C1 C2 C3 0.0(11) . .
C1 C2 C3 C4 -0.5(11) . .
C2 C3 C4 C5 1.4(10) . .
C2 C3 C4 C7 179.9(7) . .
C1 N1 C5 C4 1.4(9) . .
Ru1 N1 C5 C4 176.0(5) . .
C1 N1 C5 C6 -178.0(5) . .
Ru1 N1 C5 C6 -3.4(6) . .
C3 C4 C5 N1 -1.8(10) . .
C7 C4 C5 N1 179.5(6) . .
C3 C4 C5 C6 177.5(6) . .
C7 C4 C5 C6 -1.1(9) . .
C12 N2 C6 C9 -0.4(9) . .
Ru1 N2 C6 C9 -178.9(5) . .
C12 N2 C6 C5 177.8(5) . .
Ru1 N2 C6 C5 -0.8(7) . .
N1 C5 C6 N2 2.9(8) . .
C4 C5 C6 N2 -176.5(5) . .
N1 C5 C6 C9 -178.9(5) . .
C4 C5 C6 C9 1.7(9) . .
C3 C4 C7 C8 -178.7(8) . .
C5 C4 C7 C8 -0.2(11) . .
C4 C7 C8 C9 1.0(13) . .
N2 C6 C9 C10 -2.4(9) . .
C5 C6 C9 C10 179.6(6) . .
N2 C6 C9 C8 177.1(6) . .
C5 C6 C9 C8 -0.9(9) . .
C7 C8 C9 C6 -0.4(11) . .
C7 C8 C9 C10 179.0(7) . .
C6 C9 C10 C11 2.3(10) . .
C8 C9 C10 C11 -177.2(7) . .
C9 C10 C11 C12 0.5(10) . .
C6 N2 C12 C11 3.4(8) . .
Ru1 N2 C12 C11 -178.1(4) . .
C6 N2 C12 C13 -175.7(5) . .
Ru1 N2 C12 C13 2.8(6) . .
C10 C11 C12 N2 -3.4(9) . .
C10 C11 C12 C13 175.5(6) . .
C14 N5 C13 N3 -3.8(9) . .
C14 N5 C13 C12 176.8(5) . .
N4 N3 C13 N5 3.2(9) . .
Ru1 N3 C13 N5 -176.9(5) . .
N4 N3 C13 C12 -177.3(5) . .
Ru1 N3 C13 C12 2.5(6) . .
N2 C12 C13 N5 176.1(5) . .
C11 C12 C13 N5 -2.9(10) . .
N2 C12 C13 N3 -3.4(7) . .
C11 C12 C13 N3 177.6(6) . .
C13 N5 C14 C23 2.0(9) . .
C13 N5 C14 C15 -176.4(6) . .
N5 C14 C15 C20 179.3(6) . .
C23 C14 C15 C20 0.9(10) . .
N5 C14 C15 C16 -0.2(11) . .
C23 C14 C15 C16 -178.6(7) . .
C20 C15 C16 C17 0.1(14) . .
C14 C15 C16 C17 179.6(8) . .
C15 C16 C17 C18 -0.1(16) . .
C16 C17 C18 C19 0.6(17) . .
C17 C18 C19 C20 -1.0(14) . .
C16 C15 C20 C21 178.3(7) . .
C14 C15 C20 C21 -1.2(11) . .
C16 C15 C20 C19 -0.6(11) . .
C14 C15 C20 C19 180.0(6) . .
C18 C19 C20 C15 1.0(12) . .
C18 C19 C20 C21 -177.9(8) . .
C15 C20 C21 C22 1.3(11) . .
C19 C20 C21 C22 -179.9(7) . .
C20 C21 C22 C23 -0.9(11) . .
N3 N4 C23 C14 -0.7(9) . .
N3 N4 C23 C22 178.4(6) . .
N5 C14 C23 N4 0.1(10) . .
C15 C14 C23 N4 178.5(6) . .
N5 C14 C23 C22 -179.0(6) . .
C15 C14 C23 C22 -0.6(10) . .
C21 C22 C23 N4 -178.5(6) . .
C21 C22 C23 C14 0.6(11) . .
C26 N8 C24 C25 -0.8(8) . .
Ru1 N8 C24 C25 -174.8(5) . .
N8 C24 C25 S1 0.7(8) . .
C26 S1 C25 C24 -0.3(6) . .
C24 N8 C26 C27 -176.1(5) . .
Ru1 N8 C26 C27 -0.7(6) . .
C24 N8 C26 S1 0.6(6) . .
Ru1 N8 C26 S1 175.9(3) . .
C25 S1 C26 N8 -0.2(5) . .
C25 S1 C26 C27 176.1(6) . .
C31 N7 C27 C28 -1.3(8) . .
Ru1 N7 C27 C28 -178.0(4) . .
C31 N7 C27 C26 176.4(5) . .
Ru1 N7 C27 C26 -0.2(6) . .
N8 C26 C27 N7 0.6(7) . .
S1 C26 C27 N7 -175.5(4) . .
N8 C26 C27 C28 178.1(6) . .
S1 C26 C27 C28 2.0(9) . .
N7 C27 C28 C29 -0.1(8) . .
C26 C27 C28 C29 -177.3(6) . .
C27 C28 C29 C30 1.2(9) . .
C28 C29 C30 C31 -1.0(8) . .
C27 N7 C31 C30 1.6(7) . .
Ru1 N7 C31 C30 178.2(4) . .
C27 N7 C31 C32 -178.5(5) . .
Ru1 N7 C31 C32 -1.9(6) . .
C29 C30 C31 N7 -0.4(8) . .
C29 C30 C31 C32 179.6(5) . .
C34 N6 C32 C31 -178.8(5) . .
Ru1 N6 C32 C31 1.2(6) . .
C34 N6 C32 S2 0.6(6) . .
Ru1 N6 C32 S2 -179.4(2) . .
N7 C31 C32 N6 0.4(7) . .
C30 C31 C32 N6 -179.7(5) . .
N7 C31 C32 S2 -179.0(4) . .
C30 C31 C32 S2 1.0(8) . .
C33 S2 C32 N6 -0.2(4) . .
C33 S2 C32 C31 179.2(5) . .
C32 S2 C33 C34 -0.3(5) . .
C32 N6 C34 C33 -0.9(7) . .
Ru1 N6 C34 C33 179.2(4) . .
S2 C33 C34 N6 0.7(7) . .
