#------------------------------------------------------------------------------
#$Date: 2016-12-31 20:31:26 +0200 (Sat, 31 Dec 2016) $
#$Revision: 189516 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/10/09/1100945.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_1100945
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         '2[C27 H18 N5 S Ru (ClO4)].0.5CH3OH'
_chemical_formula_sum            'C27.25 H20 Cl2 N5 O4.25 Ru S'
_chemical_formula_weight         689.51
_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                113.505(2)
_cell_angle_beta                 93.348(2)
_cell_angle_gamma                105.418(2)
_cell_formula_units_Z            4
_cell_length_a                   13.6062(16)
_cell_length_b                   15.2525(18)
_cell_length_c                   15.6016(19)
_cell_measurement_reflns_used    4686
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      21.41
_cell_measurement_theta_min      2.31
_cell_volume                     2812.3(6)
_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 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0450
_diffrn_reflns_av_sigmaI/netI    0.0610
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            27237
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.45
_exptl_absorpt_coefficient_mu    0.866
_exptl_absorpt_correction_T_max  0.9645
_exptl_absorpt_correction_T_min  0.7787
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.628
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1386
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.212
_refine_diff_density_min         -0.590
_refine_diff_density_rms         0.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     739
_refine_ls_number_reflns         9875
_refine_ls_number_restraints     75
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.1044
_refine_ls_R_factor_gt           0.0715
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1206P)²+4.3163P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1933
_refine_ls_wR_factor_ref         0.2138
_reflns_number_gt                6727
_reflns_number_total             9875
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic048184wsi20041223_113625.cif
_cod_data_source_block           thiacl
_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_original_formula_sum        'C54.50 H40 Cl4 N10 O8.50 Ru2 S2'
_cod_database_code               1100945
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 0.25329(4) 0.01295(4) 0.16648(4) 0.0469(2) Uani 1 1 d . . . 0
Cl Cl 0.19542(14) -0.12004(15) 0.00878(14) 0.0589(5) Uani 1 1 d . . . 0
S S 0.4082(2) 0.1595(2) 0.47349(17) 0.0849(8) Uani 1 1 d . . . 0
N1 N 0.3067(5) 0.1108(5) 0.3086(4) 0.0538(16) Uani 1 1 d . . . 0
N2 N 0.3085(5) -0.0750(5) 0.2207(5) 0.0546(16) Uani 1 1 d . . . 0
N3 N 0.0990(5) -0.0127(5) 0.1830(4) 0.0588(17) Uani 1 1 d . . . 0
N4 N 0.2116(5) 0.0984(5) 0.1156(4) 0.0520(16) Uani 1 1 d . . . 0
N5 N 0.3895(4) 0.0724(4) 0.1298(4) 0.0471(14) Uani 1 1 d . . . 0
C1 C 0.3634(7) 0.2481(7) 0.4573(6) 0.066(2) Uani 1 1 d . . . 0
C2 C 0.3751(9) 0.3455(8) 0.5205(8) 0.092(3) Uani 1 1 d . . . 0
H2 H 0.4131 0.3726 0.5818 0.111 Uiso 1 1 calc R . . 0
C3 C 0.3310(8) 0.4004(8) 0.4925(7) 0.084(3) Uani 1 1 d . . . 0
H3 H 0.3364 0.4654 0.5357 0.101 Uiso 1 1 calc R . . 0
C4 C 0.2786(8) 0.3636(7) 0.4027(7) 0.080(3) Uani 1 1 d . . . 0
H4 H 0.2499 0.4045 0.3855 0.096 Uiso 1 1 calc R . . 0
C5 C 0.2668(6) 0.2680(6) 0.3363(6) 0.061(2) Uani 1 1 d . . . 0
H5 H 0.2316 0.2441 0.2744 0.073 Uiso 1 1 calc R . . 0
C6 C 0.3088(6) 0.2085(6) 0.3642(6) 0.058(2) Uani 1 1 d . . . 0
C7 C 0.3519(6) 0.0746(6) 0.3583(6) 0.057(2) Uani 1 1 d . . . 0
C8 C 0.3514(6) -0.0280(7) 0.3122(6) 0.063(2) Uani 1 1 d . . . 0
C9 C 0.3937(8) -0.0741(8) 0.3597(8) 0.088(3) Uani 1 1 d . . . 0
H9 H 0.4232 -0.0398 0.4240 0.106 Uiso 1 1 calc R . . 0
C10 C 0.3900(9) -0.1736(9) 0.3067(9) 0.096(3) Uani 1 1 d . . . 0
H10 H 0.4164 -0.2075 0.3355 0.115 Uiso 1 1 calc R . . 0
C11 C 0.3474(7) -0.2205(7) 0.2128(7) 0.078(3) Uani 1 1 d . . . 0
H11 H 0.3446 -0.2868 0.1765 0.093 Uiso 1 1 calc R . . 0
C12 C 0.3087(6) -0.1692(6) 0.1723(6) 0.060(2) Uani 1 1 d . . . 0
H12 H 0.2811 -0.2018 0.1075 0.072 Uiso 1 1 calc R . . 0
C13 C 0.0492(7) -0.0705(7) 0.2222(7) 0.079(3) Uani 1 1 d . . . 0
H13 H 0.0836 -0.1050 0.2440 0.095 Uiso 1 1 calc R . . 0
C14 C -0.0549(8) -0.0801(8) 0.2308(8) 0.082(3) Uani 1 1 d . . . 0
H14 H -0.0893 -0.1202 0.2586 0.099 Uiso 1 1 calc R . . 0
C15 C -0.1047(9) -0.0298(9) 0.1980(9) 0.107(4) Uani 1 1 d . . . 0
H15 H -0.1735 -0.0351 0.2037 0.129 Uiso 1 1 calc R . . 0
C16 C -0.0526(7) 0.0295(7) 0.1558(7) 0.083(3) Uani 1 1 d . . . 0
H16 H -0.0868 0.0627 0.1319 0.100 Uiso 1 1 calc R . . 0
C17 C 0.0505(6) 0.0387(7) 0.1498(6) 0.063(2) Uani 1 1 d . . . 0
C18 C 0.1118(6) 0.0993(6) 0.1100(6) 0.058(2) Uani 1 1 d . . . 0
C19 C 0.0841(8) 0.1606(8) 0.0718(7) 0.078(3) Uani 1 1 d . . . 0
H19 H 0.0164 0.1625 0.0669 0.094 Uiso 1 1 calc R . . 0
C20 C 0.1561(9) 0.2167(8) 0.0424(7) 0.086(3) Uani 1 1 d . . . 0
H20 H 0.1378 0.2586 0.0189 0.103 Uiso 1 1 calc R . . 0
C21 C 0.2544(8) 0.2129(7) 0.0466(7) 0.075(2) Uani 1 1 d . . . 0
H21 H 0.3029 0.2515 0.0254 0.090 Uiso 1 1 calc R . . 0
C22 C 0.2827(6) 0.1519(6) 0.0821(6) 0.058(2) Uani 1 1 d . . . 0
C23 C 0.3838(6) 0.1368(5) 0.0908(5) 0.0519(18) Uani 1 1 d . . . 0
C24 C 0.4682(7) 0.1830(6) 0.0621(6) 0.063(2) Uani 1 1 d . . . 0
H24 H 0.4633 0.2277 0.0367 0.076 Uiso 1 1 calc R . . 0
C25 C 0.5586(7) 0.1629(7) 0.0709(6) 0.071(3) Uani 1 1 d . . . 0
H25 H 0.6152 0.1926 0.0502 0.085 Uiso 1 1 calc R . . 0
C26 C 0.5662(6) 0.0983(6) 0.1107(6) 0.067(2) Uani 1 1 d . . . 0
H26 H 0.6278 0.0841 0.1177 0.080 Uiso 1 1 calc R . . 0
C27 C 0.4809(6) 0.0556(6) 0.1396(6) 0.0565(19) Uani 1 1 d . . . 0
H27 H 0.4862 0.0129 0.1674 0.068 Uiso 1 1 calc R . . 0
Ru' Ru 0.22704(4) 0.47666(4) 0.80737(5) 0.0478(2) Uani 1 1 d . . . 0
Cl' Cl 0.30041(15) 0.61272(16) 0.95968(14) 0.0614(5) Uani 1 1 d . . . 0
S' S 0.1817(3) 0.1664(2) 0.5812(2) 0.0948(9) Uani 1 1 d . . . 0
N6 N 0.1827(5) 0.3491(5) 0.6819(5) 0.0590(17) Uani 1 1 d . . . 0
N7 N 0.3138(5) 0.3903(5) 0.8323(5) 0.0598(17) Uani 1 1 d . . . 0
N8 N 0.0971(5) 0.4230(5) 0.8561(4) 0.0510(15) Uani 1 1 d . . . 0
N9 N 0.1402(4) 0.5522(4) 0.7851(4) 0.0472(14) Uani 1 1 d . . . 0
N10 N 0.3246(5) 0.5615(4) 0.7533(4) 0.0496(15) Uani 1 1 d . . . 0
C28 C 0.1063(8) 0.2158(7) 0.5316(7) 0.073(3) Uani 1 1 d . . . 0
C29 C 0.0427(11) 0.1711(10) 0.4448(8) 0.106(4) Uani 1 1 d . . . 0
H29 H 0.0362 0.1053 0.4027 0.127 Uiso 1 1 calc R . . 0
C30 C -0.0103(11) 0.2232(11) 0.4211(9) 0.123(5) Uani 1 1 d . . . 0
H30 H -0.0558 0.1930 0.3630 0.148 Uiso 1 1 calc R . . 0
C31 C 0.0029(10) 0.3231(10) 0.4837(8) 0.113(4) Uani 1 1 d . . . 0
H31 H -0.0307 0.3595 0.4641 0.135 Uiso 1 1 calc R . . 0
C32 C 0.0620(8) 0.3687(8) 0.5707(7) 0.085(3) Uani 1 1 d . . . 0
H32 H 0.0660 0.4339 0.6124 0.102 Uiso 1 1 calc R . . 0
C33 C 0.1172(6) 0.3153(7) 0.5968(6) 0.066(2) Uani 1 1 d . . . 0
C34 C 0.2244(7) 0.2779(6) 0.6808(6) 0.061(2) Uani 1 1 d . . . 0
C35 C 0.2984(7) 0.3007(7) 0.7636(7) 0.068(2) Uani 1 1 d . . . 0
C36 C 0.3446(8) 0.2310(8) 0.7674(9) 0.087(3) Uani 1 1 d . . . 0
H36 H 0.3300 0.1680 0.7165 0.104 Uiso 1 1 calc R . . 0
C37 C 0.4121(9) 0.2583(10) 0.8485(10) 0.097(4) Uani 1 1 d . . . 0
H37 H 0.4471 0.2151 0.8529 0.116 Uiso 1 1 calc R . . 0
C38 C 0.4280(8) 0.3498(9) 0.9233(9) 0.089(3) Uani 1 1 d . . . 0
H38 H 0.4720 0.3685 0.9798 0.107 Uiso 1 1 calc R . . 0
C39 C 0.3781(7) 0.4136(8) 0.9139(8) 0.082(3) Uani 1 1 d . . . 0
H39 H 0.3886 0.4754 0.9654 0.098 Uiso 1 1 calc R . . 0
C40 C 0.0798(7) 0.3569(6) 0.8925(6) 0.066(2) Uani 1 1 d . . . 0
H40 H 0.1308 0.3279 0.8972 0.079 Uiso 1 1 calc R . . 0
C41 C -0.0111(7) 0.3291(7) 0.9240(7) 0.076(3) Uani 1 1 d . . . 0
H41 H -0.0211 0.2819 0.9490 0.092 Uiso 1 1 calc R . . 0
C42 C -0.0866(7) 0.3719(7) 0.9178(7) 0.076(3) Uani 1 1 d . . . 0
H42 H -0.1477 0.3553 0.9399 0.091 Uiso 1 1 calc R . . 0
C43 C -0.0712(6) 0.4380(7) 0.8798(6) 0.066(2) Uani 1 1 d . . . 0
H43 H -0.1223 0.4664 0.8741 0.079 Uiso 1 1 calc R . . 0
C44 C 0.0206(6) 0.4640(6) 0.8490(6) 0.0539(19) Uani 1 1 d . . . 0
C45 C 0.0449(6) 0.5375(6) 0.8083(6) 0.058(2) Uani 1 1 d . . . 0
C46 C -0.0170(7) 0.5909(7) 0.7941(7) 0.072(2) Uani 1 1 d . . . 0
H46 H -0.0835 0.5803 0.8080 0.087 Uiso 1 1 calc R . . 0
C47 C 0.0218(8) 0.6601(8) 0.7589(7) 0.083(3) Uani 1 1 d . . . 0
H47 H -0.0189 0.6968 0.7493 0.100 Uiso 1 1 calc R . . 0
C48 C 0.1195(7) 0.6759(7) 0.7377(7) 0.072(2) Uani 1 1 d . . . 0
H48 H 0.1457 0.7238 0.7153 0.086 Uiso 1 1 calc R . . 0
C49 C 0.1782(6) 0.6198(6) 0.7501(5) 0.0529(19) Uani 1 1 d . . . 0
C50 C 0.2824(6) 0.6239(5) 0.7296(5) 0.0505(18) Uani 1 1 d . . . 0
C51 C 0.3372(7) 0.6829(6) 0.6908(6) 0.065(2) Uani 1 1 d . . . 0
H51 H 0.3073 0.7230 0.6733 0.078 Uiso 1 1 calc R . . 0
C52 C 0.4351(8) 0.6835(7) 0.6775(7) 0.082(3) Uani 1 1 d . . . 0
H52 H 0.4721 0.7237 0.6510 0.098 Uiso 1 1 calc R . . 0
C53 C 0.4785(7) 0.6251(7) 0.7031(7) 0.074(3) Uani 1 1 d . . . 0
H53 H 0.5462 0.6265 0.6961 0.089 Uiso 1 1 calc R . . 0
C54 C 0.4219(6) 0.5643(6) 0.7393(6) 0.059(2) Uani 1 1 d . . . 0
H54 H 0.4517 0.5231 0.7550 0.071 Uiso 1 1 calc R . . 0
Cl1 Cl 0.3181(3) 0.9366(3) 0.6560(4) 0.1275(13) Uani 1 1 d U . . 0
O1 O 0.2473(9) 0.8786(9) 0.6853(11) 0.189(4) Uani 1 1 d U . . 0
O2 O 0.3856(10) 0.8913(10) 0.6191(12) 0.216(5) Uani 1 1 d U . . 0
O3 O 0.3739(11) 1.0207(9) 0.7483(11) 0.198(5) Uani 1 1 d U . . 0
O4 O 0.2689(11) 0.9781(8) 0.6126(10) 0.194(5) Uani 1 1 d U . . 0
Cl2 Cl 0.6561(3) 0.4844(4) 0.7802(5) 0.177(2) Uani 1 1 d U . . 0
O5 O 0.5694(11) 0.4133(12) 0.7527(16) 0.268(6) Uani 1 1 d U . . 0
O6 O 0.7213(11) 0.4274(14) 0.7442(16) 0.270(6) Uani 1 1 d U . . 0
O7 O 0.7211(15) 0.5154(16) 0.8775(16) 0.277(6) Uani 1 1 d U . . 0
O8 O 0.6838(12) 0.5588(12) 0.7622(13) 0.248(6) Uani 1 1 d U . . 0
O O 0.1180(17) 0.868(4) 0.393(2) 0.35(3) Uani 0.50 1 d PDU . . 1
C C 0.157(3) 0.783(4) 0.385(4) 0.38(3) Uani 0.50 1 d PDU . . 3
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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
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'
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
N4 Ru N5 79.5(3) . . ?
N4 Ru N1 101.8(3) . . ?
N5 Ru N1 92.1(2) . . ?
N4 Ru N3 78.7(3) . . ?
N5 Ru N3 158.2(3) . . ?
N1 Ru N3 92.3(2) . . ?
N4 Ru N2 176.2(2) . . ?
N5 Ru N2 96.7(2) . . ?
N1 Ru N2 77.6(3) . . ?
N3 Ru N2 105.1(3) . . ?
N4 Ru Cl 87.03(18) . . ?
N5 Ru Cl 90.40(17) . . ?
N1 Ru Cl 171.1(2) . . ?
N3 Ru Cl 88.48(17) . . ?
N2 Ru Cl 93.56(19) . . ?
C7 S C1 90.0(4) . . ?
C7 N1 C6 111.6(7) . . ?
C7 N1 Ru 114.2(5) . . ?
C6 N1 Ru 134.2(6) . . ?
C8 N2 C12 117.8(7) . . ?
C8 N2 Ru 115.0(5) . . ?
C12 N2 Ru 127.1(6) . . ?
C13 N3 C17 121.2(8) . . ?
C13 N3 Ru 126.1(7) . . ?
C17 N3 Ru 112.7(5) . . ?
C18 N4 C22 121.6(7) . . ?
C18 N4 Ru 119.7(6) . . ?
C22 N4 Ru 118.6(5) . . ?
C27 N5 C23 117.6(6) . . ?
C27 N5 Ru 128.4(5) . . ?
C23 N5 Ru 114.0(5) . . ?
C2 C1 C6 120.4(10) . . ?
C2 C1 S 129.4(8) . . ?
C6 C1 S 110.2(6) . . ?
C3 C2 C1 118.9(10) . . ?
C3 C2 H2 120.5 . . ?
C1 C2 H2 120.5 . . ?
C2 C3 C4 121.5(10) . . ?
C2 C3 H3 119.3 . . ?
C4 C3 H3 119.3 . . ?
C3 C4 C5 122.0(10) . . ?
C3 C4 H4 119.0 . . ?
C5 C4 H4 119.0 . . ?
C4 C5 C6 117.7(9) . . ?
C4 C5 H5 121.1 . . ?
C6 C5 H5 121.1 . . ?
C5 C6 N1 127.1(8) . . ?
C5 C6 C1 119.4(8) . . ?
N1 C6 C1 113.5(8) . . ?
N1 C7 C8 118.5(7) . . ?
N1 C7 S 114.6(6) . . ?
C8 C7 S 126.8(6) . . ?
N2 C8 C9 122.9(8) . . ?
N2 C8 C7 114.4(7) . . ?
C9 C8 C7 122.7(8) . . ?
C10 C9 C8 117.3(9) . . ?
C10 C9 H9 121.3 . . ?
C8 C9 H9 121.3 . . ?
C11 C10 C9 119.4(9) . . ?
C11 C10 H10 120.3 . . ?
C9 C10 H10 120.3 . . ?
C10 C11 C12 119.2(9) . . ?
C10 C11 H11 120.4 . . ?
C12 C11 H11 120.4 . . ?
N2 C12 C11 123.3(8) . . ?
N2 C12 H12 118.3 . . ?
C11 C12 H12 118.3 . . ?
N3 C13 C14 120.6(11) . . ?
N3 C13 H13 119.7 . . ?
C14 C13 H13 119.7 . . ?
C15 C14 C13 119.2(10) . . ?
C15 C14 H14 120.4 . . ?
C13 C14 H14 120.4 . . ?
C14 C15 C16 120.0(10) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C17 C16 C15 119.3(11) . . ?
C17 C16 H16 120.3 . . ?
C15 C16 H16 120.3 . . ?
N3 C17 C16 119.7(9) . . ?
N3 C17 C18 116.4(7) . . ?
C16 C17 C18 123.9(9) . . ?
N4 C18 C19 118.2(8) . . ?
N4 C18 C17 112.5(7) . . ?
C19 C18 C17 129.3(8) . . ?
C20 C19 C18 119.9(9) . . ?
C20 C19 H19 120.1 . . ?
C18 C19 H19 120.1 . . ?
C19 C20 C21 121.0(9) . . ?
C19 C20 H20 119.5 . . ?
C21 C20 H20 119.5 . . ?
C20 C21 C22 120.1(9) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
N4 C22 C21 119.2(8) . . ?
N4 C22 C23 112.9(7) . . ?
C21 C22 C23 127.9(8) . . ?
N5 C23 C24 121.3(7) . . ?
N5 C23 C22 115.0(7) . . ?
C24 C23 C22 123.7(8) . . ?
C25 C24 C23 119.7(8) . . ?
C25 C24 H24 120.1 . . ?
C23 C24 H24 120.1 . . ?
C24 C25 C26 119.9(8) . . ?
C24 C25 H25 120.1 . . ?
C26 C25 H25 120.1 . . ?
C27 C26 C25 118.3(8) . . ?
C27 C26 H26 120.9 . . ?
C25 C26 H26 120.9 . . ?
N5 C27 C26 123.2(8) . . ?
N5 C27 H27 118.4 . . ?
C26 C27 H27 118.4 . . ?
N9 Ru' N6 101.4(3) . . ?
N9 Ru' N10 79.3(2) . . ?
N6 Ru' N10 94.0(2) . . ?
N9 Ru' N8 79.7(2) . . ?
N6 Ru' N8 91.3(2) . . ?
N10 Ru' N8 159.0(2) . . ?
N9 Ru' N7 177.1(2) . . ?
N6 Ru' N7 77.8(3) . . ?
N10 Ru' N7 103.6(2) . . ?
N8 Ru' N7 97.4(2) . . ?
N9 Ru' Cl' 88.62(18) . . ?
N6 Ru' Cl' 169.9(2) . . ?
N10 Ru' Cl' 86.86(17) . . ?
N8 Ru' Cl' 91.38(18) . . ?
N7 Ru' Cl' 92.2(2) . . ?
C34 S' C28 89.9(4) . . ?
C34 N6 C33 110.2(7) . . ?
C34 N6 Ru' 114.1(6) . . ?
C33 N6 Ru' 135.7(6) . . ?
C35 N7 C39 115.9(8) . . ?
C35 N7 Ru' 116.1(6) . . ?
C39 N7 Ru' 127.7(6) . . ?
C40 N8 C44 117.8(7) . . ?
C40 N8 Ru' 128.9(6) . . ?
C44 N8 Ru' 113.4(5) . . ?
C49 N9 C45 121.9(7) . . ?
C49 N9 Ru' 119.4(5) . . ?
C45 N9 Ru' 118.7(5) . . ?
C54 N10 C50 117.3(7) . . ?
C54 N10 Ru' 128.7(6) . . ?
C50 N10 Ru' 113.9(5) . . ?
C29 C28 C33 121.5(11) . . ?
C29 C28 S' 128.9(9) . . ?
C33 C28 S' 109.6(7) . . ?
C30 C29 C28 119.0(12) . . ?
C30 C29 H29 120.5 . . ?
C28 C29 H29 120.5 . . ?
C29 C30 C31 119.9(12) . . ?
C29 C30 H30 120.1 . . ?
C31 C30 H30 120.1 . . ?
C32 C31 C30 122.9(13) . . ?
C32 C31 H31 118.6 . . ?
C30 C31 H31 118.6 . . ?
C31 C32 C33 117.9(11) . . ?
C31 C32 H32 121.1 . . ?
C33 C32 H32 121.1 . . ?
N6 C33 C32 126.7(9) . . ?
N6 C33 C28 114.5(9) . . ?
C32 C33 C28 118.8(9) . . ?
N6 C34 C35 118.4(7) . . ?
N6 C34 S' 115.7(7) . . ?
C35 C34 S' 125.9(6) . . ?
N7 C35 C36 125.1(10) . . ?
N7 C35 C34 113.4(7) . . ?
C36 C35 C34 121.5(9) . . ?
C37 C36 C35 117.5(11) . . ?
C37 C36 H36 121.2 . . ?
C35 C36 H36 121.2 . . ?
C36 C37 C38 119.4(10) . . ?
C36 C37 H37 120.3 . . ?
C38 C37 H37 120.3 . . ?
C37 C38 C39 119.1(11) . . ?
C37 C38 H38 120.4 . . ?
C39 C38 H38 120.4 . . ?
N7 C39 C38 122.8(11) . . ?
N7 C39 H39 118.6 . . ?
C38 C39 H39 118.6 . . ?
N8 C40 C41 122.5(9) . . ?
N8 C40 H40 118.7 . . ?
C41 C40 H40 118.7 . . ?
C42 C41 C40 119.1(9) . . ?
C42 C41 H41 120.4 . . ?
C40 C41 H41 120.4 . . ?
C43 C42 C41 119.2(8) . . ?
C43 C42 H42 120.4 . . ?
C41 C42 H42 120.4 . . ?
C42 C43 C44 120.1(9) . . ?
C42 C43 H43 119.9 . . ?
C44 C43 H43 119.9 . . ?
N8 C44 C43 121.2(8) . . ?
N8 C44 C45 115.1(6) . . ?
C43 C44 C45 123.7(8) . . ?
N9 C45 C46 119.6(8) . . ?
N9 C45 C44 113.1(7) . . ?
C46 C45 C44 127.3(8) . . ?
C47 C46 C45 118.6(8) . . ?
C47 C46 H46 120.7 . . ?
C45 C46 H46 120.7 . . ?
C48 C47 C46 121.1(9) . . ?
C48 C47 H47 119.5 . . ?
C46 C47 H47 119.5 . . ?
C47 C48 C49 119.0(9) . . ?
C47 C48 H48 120.5 . . ?
C49 C48 H48 120.5 . . ?
N9 C49 C48 119.8(8) . . ?
N9 C49 C50 113.1(6) . . ?
C48 C49 C50 127.1(8) . . ?
C51 C50 N10 120.5(7) . . ?
C51 C50 C49 125.2(7) . . ?
N10 C50 C49 114.3(6) . . ?
C52 C51 C50 120.4(9) . . ?
C52 C51 H51 119.8 . . ?
C50 C51 H51 119.8 . . ?
C53 C52 C51 119.7(9) . . ?
C53 C52 H52 120.2 . . ?
C51 C52 H52 120.2 . . ?
C52 C53 C54 119.4(9) . . ?
C52 C53 H53 120.3 . . ?
C54 C53 H53 120.3 . . ?
N10 C54 C53 122.6(8) . . ?
N10 C54 H54 118.7 . . ?
C53 C54 H54 118.7 . . ?
O2 Cl1 O4 122.9(11) . . ?
O2 Cl1 O1 110.7(9) . . ?
O4 Cl1 O1 109.0(9) . . ?
O2 Cl1 O3 106.5(9) . . ?
O4 Cl1 O3 104.6(7) . . ?
O1 Cl1 O3 100.5(9) . . ?
O8 Cl2 O5 130.1(11) . . ?
O8 Cl2 O6 106.5(12) . . ?
O5 Cl2 O6 99.3(11) . . ?
O8 Cl2 O7 105.8(12) . . ?
O5 Cl2 O7 118.6(12) . . ?
O6 Cl2 O7 84.8(10) . . ?
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 N4 1.953(6) . ?
Ru N5 2.057(5) . ?
Ru N1 2.066(6) . ?
Ru N3 2.082(6) . ?
Ru N2 2.108(6) . ?
Ru Cl 2.394(2) . ?
S C7 1.717(8) . ?
S C1 1.719(10) . ?
N1 C7 1.323(10) . ?
N1 C6 1.385(10) . ?
N2 C8 1.324(10) . ?
N2 C12 1.332(10) . ?
N3 C13 1.331(11) . ?
N3 C17 1.369(10) . ?
N4 C18 1.360(9) . ?
N4 C22 1.362(10) . ?
N5 C27 1.347(9) . ?
N5 C23 1.360(9) . ?
C1 C2 1.375(13) . ?
C1 C6 1.401(12) . ?
C2 C3 1.334(15) . ?
C2 H2 0.9300 . ?
C3 C4 1.353(14) . ?
C3 H3 0.9300 . ?
C4 C5 1.370(11) . ?
C4 H4 0.9300 . ?
C5 C6 1.381(12) . ?
C5 H5 0.9300 . ?
C7 C8 1.437(11) . ?
C8 C9 1.399(12) . ?
C9 C10 1.393(14) . ?
C9 H9 0.9300 . ?
C10 C11 1.355(14) . ?
C10 H10 0.9300 . ?
C11 C12 1.366(12) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.404(13) . ?
C13 H13 0.9300 . ?
C14 C15 1.364(16) . ?
C14 H14 0.9300 . ?
C15 C16 1.395(15) . ?
C15 H15 0.9300 . ?
C16 C17 1.385(11) . ?
C16 H16 0.9300 . ?
C17 C18 1.431(12) . ?
C18 C19 1.406(13) . ?
C19 C20 1.349(14) . ?
C19 H19 0.9300 . ?
C20 C21 1.353(13) . ?
C20 H20 0.9300 . ?
C21 C22 1.379(12) . ?
C21 H21 0.9300 . ?
C22 C23 1.461(11) . ?
C23 C24 1.378(11) . ?
C24 C25 1.355(12) . ?
C24 H24 0.9300 . ?
C25 C26 1.379(13) . ?
C25 H25 0.9300 . ?
C26 C27 1.367(11) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
Ru' N9 1.960(6) . ?
Ru' N6 2.045(7) . ?
Ru' N10 2.058(6) . ?
Ru' N8 2.063(6) . ?
Ru' N7 2.112(7) . ?
Ru' Cl' 2.374(2) . ?
S' C34 1.704(9) . ?
S' C28 1.732(11) . ?
N6 C34 1.348(10) . ?
N6 C33 1.376(11) . ?
N7 C35 1.309(11) . ?
N7 C39 1.362(11) . ?
N8 C40 1.320(10) . ?
N8 C44 1.369(10) . ?
N9 C49 1.350(9) . ?
N9 C45 1.351(9) . ?
N10 C54 1.347(9) . ?
N10 C50 1.385(9) . ?
C28 C29 1.364(15) . ?
C28 C33 1.411(12) . ?
C29 C30 1.342(17) . ?
C29 H29 0.9300 . ?
C30 C31 1.398(17) . ?
C30 H30 0.9300 . ?
C31 C32 1.340(14) . ?
C31 H31 0.9300 . ?
C32 C33 1.396(13) . ?
C32 H32 0.9300 . ?
C34 C35 1.451(13) . ?
C35 C36 1.390(12) . ?
C36 C37 1.364(15) . ?
C36 H36 0.9300 . ?
C37 C38 1.365(16) . ?
C37 H37 0.9300 . ?
C38 C39 1.373(13) . ?
C38 H38 0.9300 . ?
C39 H39 0.9300 . ?
C40 C41 1.382(12) . ?
C40 H40 0.9300 . ?
C41 C42 1.373(14) . ?
C41 H41 0.9300 . ?
C42 C43 1.338(13) . ?
C42 H42 0.9300 . ?
C43 C44 1.381(11) . ?
C43 H43 0.9300 . ?
C44 C45 1.470(11) . ?
C45 C46 1.383(11) . ?
C46 C47 1.377(13) . ?
C46 H46 0.9300 . ?
C47 C48 1.370(13) . ?
C47 H47 0.9300 . ?
C48 C49 1.372(11) . ?
C48 H48 0.9300 . ?
C49 C50 1.463(10) . ?
C50 C51 1.364(11) . ?
C51 C52 1.357(13) . ?
C51 H51 0.9300 . ?
C52 C53 1.355(14) . ?
C52 H52 0.9300 . ?
C53 C54 1.364(12) . ?
C53 H53 0.9300 . ?
C54 H54 0.9300 . ?
Cl1 O2 1.318(11) . ?
Cl1 O4 1.349(11) . ?
Cl1 O1 1.357(11) . ?
Cl1 O3 1.475(13) . ?
Cl2 O8 1.245(12) . ?
Cl2 O5 1.280(14) . ?
Cl2 O6 1.392(17) . ?
Cl2 O7 1.536(19) . ?
O C 1.49(2) . ?
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
N4 Ru N1 C7 -172.2(5) . . . . ?
N5 Ru N1 C7 -92.5(6) . . . . ?
N3 Ru N1 C7 108.9(6) . . . . ?
N2 Ru N1 C7 3.9(5) . . . . ?
Cl Ru N1 C7 13.8(15) . . . . ?
N4 Ru N1 C6 5.4(7) . . . . ?
N5 Ru N1 C6 85.1(7) . . . . ?
N3 Ru N1 C6 -73.6(7) . . . . ?
N2 Ru N1 C6 -178.5(7) . . . . ?
Cl Ru N1 C6 -168.6(8) . . . . ?
N4 Ru N2 C8 80(4) . . . . ?
N5 Ru N2 C8 88.4(6) . . . . ?
N1 Ru N2 C8 -2.3(6) . . . . ?
N3 Ru N2 C8 -91.4(6) . . . . ?
Cl Ru N2 C8 179.2(5) . . . . ?
N4 Ru N2 C12 -96(4) . . . . ?
N5 Ru N2 C12 -88.3(7) . . . . ?
N1 Ru N2 C12 -179.0(7) . . . . ?
N3 Ru N2 C12 91.9(7) . . . . ?
Cl Ru N2 C12 2.5(6) . . . . ?
N4 Ru N3 C13 -177.8(7) . . . . ?
N5 Ru N3 C13 -177.8(6) . . . . ?
N1 Ru N3 C13 -76.2(7) . . . . ?
N2 Ru N3 C13 1.6(7) . . . . ?
Cl Ru N3 C13 94.9(6) . . . . ?
N4 Ru N3 C17 1.3(5) . . . . ?
N5 Ru N3 C17 1.3(9) . . . . ?
N1 Ru N3 C17 102.9(5) . . . . ?
N2 Ru N3 C17 -179.3(5) . . . . ?
Cl Ru N3 C17 -86.0(5) . . . . ?
N5 Ru N4 C18 177.2(6) . . . . ?
N1 Ru N4 C18 -92.9(6) . . . . ?
N3 Ru N4 C18 -2.8(5) . . . . ?
N2 Ru N4 C18 -175(4) . . . . ?
Cl Ru N4 C18 86.2(5) . . . . ?
N5 Ru N4 C22 0.4(5) . . . . ?
N1 Ru N4 C22 90.4(6) . . . . ?
N3 Ru N4 C22 -179.6(6) . . . . ?
N2 Ru N4 C22 9(4) . . . . ?
Cl Ru N4 C22 -90.6(5) . . . . ?
N4 Ru N5 C27 179.8(7) . . . . ?
N1 Ru N5 C27 78.1(6) . . . . ?
N3 Ru N5 C27 179.8(6) . . . . ?
N2 Ru N5 C27 0.3(7) . . . . ?
Cl Ru N5 C27 -93.3(6) . . . . ?
N4 Ru N5 C23 -0.2(5) . . . . ?
N1 Ru N5 C23 -101.8(5) . . . . ?
N3 Ru N5 C23 -0.2(9) . . . . ?
N2 Ru N5 C23 -179.7(5) . . . . ?
Cl Ru N5 C23 86.7(5) . . . . ?
C7 S C1 C2 179.7(10) . . . . ?
C7 S C1 C6 -0.8(6) . . . . ?
C6 C1 C2 C3 2.0(15) . . . . ?
S C1 C2 C3 -178.5(8) . . . . ?
C1 C2 C3 C4 -2.5(17) . . . . ?
C2 C3 C4 C5 1.0(16) . . . . ?
C3 C4 C5 C6 1.1(14) . . . . ?
C4 C5 C6 N1 -179.3(8) . . . . ?
C4 C5 C6 C1 -1.5(12) . . . . ?
C7 N1 C6 C5 -178.3(8) . . . . ?
Ru N1 C6 C5 4.0(12) . . . . ?
C7 N1 C6 C1 3.8(10) . . . . ?
Ru N1 C6 C1 -173.9(5) . . . . ?
C2 C1 C6 C5 0.0(13) . . . . ?
S C1 C6 C5 -179.6(6) . . . . ?
C2 C1 C6 N1 178.1(8) . . . . ?
S C1 C6 N1 -1.5(9) . . . . ?
C6 N1 C7 C8 176.7(7) . . . . ?
Ru N1 C7 C8 -5.1(9) . . . . ?
C6 N1 C7 S -4.4(9) . . . . ?
Ru N1 C7 S 173.7(4) . . . . ?
C1 S C7 N1 3.0(7) . . . . ?
C1 S C7 C8 -178.2(8) . . . . ?
C12 N2 C8 C9 -1.9(13) . . . . ?
Ru N2 C8 C9 -178.9(7) . . . . ?
C12 N2 C8 C7 177.5(7) . . . . ?
Ru N2 C8 C7 0.4(9) . . . . ?
N1 C7 C8 N2 3.2(11) . . . . ?
S C7 C8 N2 -175.6(6) . . . . ?
N1 C7 C8 C9 -177.5(8) . . . . ?
S C7 C8 C9 3.8(13) . . . . ?
N2 C8 C9 C10 0.3(15) . . . . ?
C7 C8 C9 C10 -179.0(9) . . . . ?
C8 C9 C10 C11 0.8(17) . . . . ?
C9 C10 C11 C12 -0.3(16) . . . . ?
C8 N2 C12 C11 2.4(12) . . . . ?
Ru N2 C12 C11 179.1(7) . . . . ?
C10 C11 C12 N2 -1.4(15) . . . . ?
C17 N3 C13 C14 -0.3(12) . . . . ?
Ru N3 C13 C14 178.7(6) . . . . ?
N3 C13 C14 C15 0.4(15) . . . . ?
C13 C14 C15 C16 0.5(16) . . . . ?
C14 C15 C16 C17 -1.6(15) . . . . ?
C13 N3 C17 C16 -0.8(11) . . . . ?
Ru N3 C17 C16 -180.0(6) . . . . ?
C13 N3 C17 C18 179.4(7) . . . . ?
Ru N3 C17 C18 0.3(8) . . . . ?
C15 C16 C17 N3 1.7(13) . . . . ?
C15 C16 C17 C18 -178.5(8) . . . . ?
C22 N4 C18 C19 -2.5(11) . . . . ?
Ru N4 C18 C19 -179.2(6) . . . . ?
C22 N4 C18 C17 -179.6(7) . . . . ?
Ru N4 C18 C17 3.7(9) . . . . ?
N3 C17 C18 N4 -2.5(10) . . . . ?
C16 C17 C18 N4 177.8(7) . . . . ?
N3 C17 C18 C19 -179.2(8) . . . . ?
C16 C17 C18 C19 1.1(14) . . . . ?
N4 C18 C19 C20 -0.3(13) . . . . ?
C17 C18 C19 C20 176.2(9) . . . . ?
C18 C19 C20 C21 1.8(16) . . . . ?
C19 C20 C21 C22 -0.7(16) . . . . ?
C18 N4 C22 C21 3.7(11) . . . . ?
Ru N4 C22 C21 -179.6(6) . . . . ?
C18 N4 C22 C23 -177.2(6) . . . . ?
Ru N4 C22 C23 -0.5(8) . . . . ?
C20 C21 C22 N4 -2.1(13) . . . . ?
C20 C21 C22 C23 179.0(9) . . . . ?
C27 N5 C23 C24 0.2(10) . . . . ?
Ru N5 C23 C24 -179.8(6) . . . . ?
C27 N5 C23 C22 -180.0(6) . . . . ?
Ru N5 C23 C22 0.0(8) . . . . ?
N4 C22 C23 N5 0.3(9) . . . . ?
C21 C22 C23 N5 179.3(8) . . . . ?
N4 C22 C23 C24 -179.9(7) . . . . ?
C21 C22 C23 C24 -0.8(13) . . . . ?
N5 C23 C24 C25 1.2(12) . . . . ?
C22 C23 C24 C25 -178.6(7) . . . . ?
C23 C24 C25 C26 -1.5(13) . . . . ?
C24 C25 C26 C27 0.5(13) . . . . ?
C23 N5 C27 C26 -1.4(11) . . . . ?
Ru N5 C27 C26 178.7(6) . . . . ?
C25 C26 C27 N5 1.0(12) . . . . ?
N9 Ru' N6 C34 -174.1(5) . . . . ?
N10 Ru' N6 C34 106.0(6) . . . . ?
N8 Ru' N6 C34 -94.3(6) . . . . ?
N7 Ru' N6 C34 3.0(5) . . . . ?
Cl' Ru' N6 C34 11.2(14) . . . . ?
N9 Ru' N6 C33 3.7(8) . . . . ?
N10 Ru' N6 C33 -76.2(7) . . . . ?
N8 Ru' N6 C33 83.5(7) . . . . ?
N7 Ru' N6 C33 -179.2(8) . . . . ?
Cl' Ru' N6 C33 -171.0(7) . . . . ?
N9 Ru' N7 C35 73(5) . . . . ?
N6 Ru' N7 C35 -2.3(6) . . . . ?
N10 Ru' N7 C35 -93.5(6) . . . . ?
N8 Ru' N7 C35 87.5(6) . . . . ?
Cl' Ru' N7 C35 179.2(5) . . . . ?
N9 Ru' N7 C39 -102(5) . . . . ?
N6 Ru' N7 C39 -176.9(7) . . . . ?
N10 Ru' N7 C39 91.9(7) . . . . ?
N8 Ru' N7 C39 -87.1(7) . . . . ?
Cl' Ru' N7 C39 4.6(7) . . . . ?
N9 Ru' N8 C40 -179.5(7) . . . . ?
N6 Ru' N8 C40 79.2(7) . . . . ?
N10 Ru' N8 C40 -175.9(7) . . . . ?
N7 Ru' N8 C40 1.3(7) . . . . ?
Cl' Ru' N8 C40 -91.1(7) . . . . ?
N9 Ru' N8 C44 0.0(5) . . . . ?
N6 Ru' N8 C44 -101.3(5) . . . . ?
N10 Ru' N8 C44 3.5(10) . . . . ?
N7 Ru' N8 C44 -179.2(5) . . . . ?
Cl' Ru' N8 C44 88.4(5) . . . . ?
N6 Ru' N9 C49 -93.1(6) . . . . ?
N10 Ru' N9 C49 -1.1(5) . . . . ?
N8 Ru' N9 C49 177.6(6) . . . . ?
N7 Ru' N9 C49 -168(5) . . . . ?
Cl' Ru' N9 C49 86.0(5) . . . . ?
N6 Ru' N9 C45 89.1(6) . . . . ?
N10 Ru' N9 C45 -178.9(6) . . . . ?
N8 Ru' N9 C45 -0.2(5) . . . . ?
N7 Ru' N9 C45 14(5) . . . . ?
Cl' Ru' N9 C45 -91.8(5) . . . . ?
N9 Ru' N10 C54 179.0(7) . . . . ?
N6 Ru' N10 C54 -80.1(7) . . . . ?
N8 Ru' N10 C54 175.5(7) . . . . ?
N7 Ru' N10 C54 -1.7(7) . . . . ?
Cl' Ru' N10 C54 89.8(6) . . . . ?
N9 Ru' N10 C50 -0.4(5) . . . . ?
N6 Ru' N10 C50 100.4(5) . . . . ?
N8 Ru' N10 C50 -4.0(10) . . . . ?
N7 Ru' N10 C50 178.9(5) . . . . ?
Cl' Ru' N10 C50 -89.6(5) . . . . ?
C34 S' C28 C29 179.7(11) . . . . ?
C34 S' C28 C33 -1.4(7) . . . . ?
C33 C28 C29 C30 0.2(18) . . . . ?
S' C28 C29 C30 179.0(10) . . . . ?
C28 C29 C30 C31 2(2) . . . . ?
C29 C30 C31 C32 -4(2) . . . . ?
C30 C31 C32 C33 4.0(19) . . . . ?
C34 N6 C33 C32 -178.4(9) . . . . ?
Ru' N6 C33 C32 3.7(13) . . . . ?
C34 N6 C33 C28 2.2(10) . . . . ?
Ru' N6 C33 C28 -175.7(6) . . . . ?
C31 C32 C33 N6 179.1(10) . . . . ?
C31 C32 C33 C28 -1.5(15) . . . . ?
C29 C28 C33 N6 178.9(9) . . . . ?
S' C28 C33 N6 -0.1(10) . . . . ?
C29 C28 C33 C32 -0.6(15) . . . . ?
S' C28 C33 C32 -179.6(7) . . . . ?
C33 N6 C34 C35 178.2(7) . . . . ?
Ru' N6 C34 C35 -3.5(9) . . . . ?
C33 N6 C34 S' -3.4(9) . . . . ?
Ru' N6 C34 S' 175.0(4) . . . . ?
C28 S' C34 N6 2.8(7) . . . . ?
C28 S' C34 C35 -178.8(8) . . . . ?
C39 N7 C35 C36 -2.1(12) . . . . ?
Ru' N7 C35 C36 -177.4(7) . . . . ?
C39 N7 C35 C34 176.4(7) . . . . ?
Ru' N7 C35 C34 1.1(9) . . . . ?
N6 C34 C35 N7 1.5(11) . . . . ?
S' C34 C35 N7 -176.8(6) . . . . ?
N6 C34 C35 C36 -179.9(8) . . . . ?
S' C34 C35 C36 1.8(12) . . . . ?
N7 C35 C36 C37 -0.7(14) . . . . ?
C34 C35 C36 C37 -179.1(8) . . . . ?
C35 C36 C37 C38 2.9(15) . . . . ?
C36 C37 C38 C39 -2.2(16) . . . . ?
C35 N7 C39 C38 2.9(13) . . . . ?
Ru' N7 C39 C38 177.5(7) . . . . ?
C37 C38 C39 N7 -0.8(16) . . . . ?
C44 N8 C40 C41 -0.6(12) . . . . ?
Ru' N8 C40 C41 178.8(7) . . . . ?
N8 C40 C41 C42 -0.4(14) . . . . ?
C40 C41 C42 C43 1.4(14) . . . . ?
C41 C42 C43 C44 -1.3(14) . . . . ?
C40 N8 C44 C43 0.7(11) . . . . ?
Ru' N8 C44 C43 -178.9(6) . . . . ?
C40 N8 C44 C45 179.7(7) . . . . ?
Ru' N8 C44 C45 0.1(8) . . . . ?
C42 C43 C44 N8 0.3(12) . . . . ?
C42 C43 C44 C45 -178.6(8) . . . . ?
C49 N9 C45 C46 1.6(11) . . . . ?
Ru' N9 C45 C46 179.3(6) . . . . ?
C49 N9 C45 C44 -177.4(6) . . . . ?
Ru' N9 C45 C44 0.3(8) . . . . ?
N8 C44 C45 N9 -0.3(10) . . . . ?
C43 C44 C45 N9 178.7(7) . . . . ?
N8 C44 C45 C46 -179.2(8) . . . . ?
C43 C44 C45 C46 -0.2(13) . . . . ?
N9 C45 C46 C47 -1.8(13) . . . . ?
C44 C45 C46 C47 177.0(8) . . . . ?
C45 C46 C47 C48 0.3(15) . . . . ?
C46 C47 C48 C49 1.4(15) . . . . ?
C45 N9 C49 C48 0.2(11) . . . . ?
Ru' N9 C49 C48 -177.5(6) . . . . ?
C45 N9 C49 C50 -179.9(6) . . . . ?
Ru' N9 C49 C50 2.4(9) . . . . ?
C47 C48 C49 N9 -1.7(13) . . . . ?
C47 C48 C49 C50 178.5(8) . . . . ?
C54 N10 C50 C51 2.0(10) . . . . ?
Ru' N10 C50 C51 -178.5(6) . . . . ?
C54 N10 C50 C49 -177.7(6) . . . . ?
Ru' N10 C50 C49 1.8(8) . . . . ?
N9 C49 C50 C51 177.6(7) . . . . ?
C48 C49 C50 C51 -2.5(13) . . . . ?
N9 C49 C50 N10 -2.6(9) . . . . ?
C48 C49 C50 N10 177.2(8) . . . . ?
N10 C50 C51 C52 -1.9(12) . . . . ?
C49 C50 C51 C52 177.8(8) . . . . ?
C50 C51 C52 C53 -0.1(14) . . . . ?
C51 C52 C53 C54 1.9(15) . . . . ?
C50 N10 C54 C53 -0.2(12) . . . . ?
Ru' N10 C54 C53 -179.6(6) . . . . ?
C52 C53 C54 N10 -1.8(14) . . . . ?
