#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:21:53 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179478 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/75/4337506.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_4337506
loop_
_publ_author_name
'Al-Rawashdeh, Nathir A F'
'Chatterjee, Sayandev'
'Krause, Jeanette A.'
'Connick, William B.'
_publ_section_title
;
 Ruthenium bis-diimine complexes with a chelating thioether ligand:
 delineating 1,10-phenanthrolinyl and 2,2'-bipyridyl ligand substituent
 effects.
;
_journal_issue                   1
_journal_name_full               'Inorganic chemistry'
_journal_page_first              294
_journal_page_last               307
_journal_paper_doi               10.1021/ic4022454
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C62 H46 N4 S2 Ru, 2(P F6), 2(C2 H3 N)'
_chemical_formula_sum            'C66 H52 F12 N6 P2 Ru S2'
_chemical_formula_weight         1384.27
_chemical_name_systematic
; 
 ? 
;
_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                 111.525(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   32.5431(10)
_cell_length_b                   8.7643(3)
_cell_length_c                   23.0088(8)
_cell_measurement_reflns_used    5067
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      67.88
_cell_measurement_theta_min      2.92
_cell_volume                     6104.8(4)
_computing_cell_refinement       'Bruker SAINT v6.45A'
_computing_data_collection       'Bruker SMART v5.32'
_computing_data_reduction        'Bruker SAINT v6.45A'
_computing_molecular_graphics    'Bruker SHELXTL v6.14'
_computing_publication_material  'Bruker SHELXTL v6.14'
_computing_structure_refinement  'Bruker SHELXTL v6.14'
_computing_structure_solution    'Bruker SHELXTL v6.14'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 0.83
_diffrn_measured_fraction_theta_full 0.953
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'Bruker SMART6000 CCD'
_diffrn_measurement_method       'ω 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  0.0345
_diffrn_reflns_av_sigmaI/netI    0.0323
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            18510
_diffrn_reflns_theta_full        67.87
_diffrn_reflns_theta_max         67.87
_diffrn_reflns_theta_min         2.92
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.943
_exptl_absorpt_correction_T_max  0.8909
_exptl_absorpt_correction_T_min  0.5537
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS v2.10 (Sheldrick)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.506
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             2816
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.839
_refine_diff_density_min         -0.549
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     408
_refine_ls_number_reflns         5291
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0505
_refine_ls_R_factor_gt           0.0435
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0554P)²+17.2219P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1070
_refine_ls_wR_factor_ref         0.1107
_reflns_number_gt                4659
_reflns_number_total             5291
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic4022454_si_002.cif
_cod_data_source_block           7.2CH3CN
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/ACS/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 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4337506
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru Ru 0.5000 0.20037(4) 0.7500 0.01975(12) Uani 1 2 d S . .
S1 S 0.50974(3) 0.00385(9) 0.68647(4) 0.02474(19) Uani 1 1 d . . .
N1 N 0.56838(8) 0.2228(3) 0.79383(12) 0.0212(6) Uani 1 1 d . . .
N2 N 0.51299(8) 0.3637(3) 0.69398(12) 0.0210(6) Uani 1 1 d . . .
C1 C 0.51770(13) -0.1655(4) 0.73587(18) 0.0345(8) Uani 1 1 d . . .
H1A H 0.5153 -0.2589 0.7106 0.041 Uiso 1 1 calc R . .
H1B H 0.5474 -0.1634 0.7694 0.041 Uiso 1 1 calc R . .
C2 C 0.56213(11) 0.0263(4) 0.67752(16) 0.0284(8) Uani 1 1 d . . .
C3 C 0.56126(13) 0.1193(4) 0.62866(18) 0.0346(8) Uani 1 1 d . . .
H3 H 0.5341 0.1620 0.6017 0.042 Uiso 1 1 calc R . .
C4 C 0.60025(16) 0.1503(5) 0.6190(2) 0.0473(11) Uani 1 1 d . . .
H4 H 0.5998 0.2144 0.5855 0.057 Uiso 1 1 calc R . .
C5 C 0.63938(15) 0.0876(5) 0.6582(2) 0.0552(13) Uani 1 1 d . . .
H5 H 0.6661 0.1097 0.6520 0.066 Uiso 1 1 calc R . .
C6 C 0.64013(14) -0.0073(5) 0.7067(2) 0.0538(12) Uani 1 1 d . . .
H6 H 0.6673 -0.0509 0.7331 0.065 Uiso 1 1 calc R . .
C7 C 0.60137(12) -0.0393(5) 0.71683(19) 0.0391(9) Uani 1 1 d . . .
H7 H 0.6018 -0.1046 0.7500 0.047 Uiso 1 1 calc R . .
C8 C 0.59547(10) 0.1500(4) 0.84368(15) 0.0260(7) Uani 1 1 d . . .
H8 H 0.5836 0.0744 0.8626 0.031 Uiso 1 1 calc R . .
C9 C 0.64080(11) 0.1799(4) 0.86951(16) 0.0293(8) Uani 1 1 d . . .
H9 H 0.6588 0.1264 0.9059 0.035 Uiso 1 1 calc R . .
C10 C 0.65969(10) 0.2855(4) 0.84291(16) 0.0264(7) Uani 1 1 d . . .
C11 C 0.63175(10) 0.3633(4) 0.78845(15) 0.0245(7) Uani 1 1 d . . .
C12 C 0.58625(10) 0.3286(4) 0.76618(15) 0.0225(7) Uani 1 1 d . . .
C13 C 0.64634(11) 0.4757(4) 0.75565(16) 0.0290(8) Uani 1 1 d . . .
H13 H 0.6764 0.5063 0.7718 0.035 Uiso 1 1 calc R . .
C14 C 0.61872(10) 0.5402(4) 0.70225(15) 0.0269(7) Uani 1 1 d . . .
H14 H 0.6300 0.6133 0.6814 0.032 Uiso 1 1 calc R . .
C15 C 0.55676(10) 0.4020(4) 0.71127(15) 0.0222(7) Uani 1 1 d . . .
C16 C 0.57274(10) 0.5005(4) 0.67635(15) 0.0233(7) Uani 1 1 d . . .
C17 C 0.54202(11) 0.5563(4) 0.61855(15) 0.0252(7) Uani 1 1 d . . .
C18 C 0.49798(11) 0.5191(4) 0.60333(16) 0.0275(7) Uani 1 1 d . . .
H18 H 0.4766 0.5579 0.5659 0.033 Uiso 1 1 calc R . .
C19 C 0.48460(10) 0.4262(4) 0.64182(15) 0.0260(7) Uani 1 1 d . . .
H19 H 0.4540 0.4062 0.6306 0.031 Uiso 1 1 calc R . .
C20 C 0.70796(11) 0.3202(4) 0.87081(17) 0.0305(8) Uani 1 1 d . . .
C21 C 0.73592(13) 0.2862(5) 0.8386(2) 0.0464(10) Uani 1 1 d . . .
H21 H 0.7245 0.2398 0.7985 0.056 Uiso 1 1 calc R . .
C22 C 0.78058(14) 0.3210(6) 0.8659(2) 0.0565(13) Uani 1 1 d . . .
H22 H 0.7999 0.2953 0.8449 0.068 Uiso 1 1 calc R . .
C23 C 0.79718(13) 0.3923(6) 0.9232(2) 0.0522(12) Uani 1 1 d . . .
H23 H 0.8277 0.4161 0.9414 0.063 Uiso 1 1 calc R . .
C24 C 0.76967(13) 0.4289(6) 0.9538(2) 0.0532(12) Uani 1 1 d . . .
H24 H 0.7810 0.4813 0.9926 0.064 Uiso 1 1 calc R . .
C25 C 0.72528(13) 0.3900(5) 0.92850(19) 0.0450(10) Uani 1 1 d . . .
H25 H 0.7067 0.4115 0.9511 0.054 Uiso 1 1 calc R . .
C26 C 0.55612(11) 0.6469(4) 0.57458(15) 0.0257(7) Uani 1 1 d . . .
C27 C 0.59064(12) 0.5961(4) 0.55720(17) 0.0312(8) Uani 1 1 d . . .
H27 H 0.6056 0.5041 0.5743 0.037 Uiso 1 1 calc R . .
C28 C 0.60313(13) 0.6792(5) 0.51517(18) 0.0368(9) Uani 1 1 d . . .
H28 H 0.6262 0.6428 0.5028 0.044 Uiso 1 1 calc R . .
C29 C 0.58221(13) 0.8143(5) 0.49135(17) 0.0365(9) Uani 1 1 d . . .
H29 H 0.5915 0.8730 0.4636 0.044 Uiso 1 1 calc R . .
C30 C 0.54768(13) 0.8644(5) 0.50784(17) 0.0367(9) Uani 1 1 d . . .
H30 H 0.5331 0.9574 0.4911 0.044 Uiso 1 1 calc R . .
C31 C 0.53408(12) 0.7803(4) 0.54860(16) 0.0302(8) Uani 1 1 d . . .
H31 H 0.5098 0.8140 0.5587 0.036 Uiso 1 1 calc R . .
P1 P 0.62357(3) 0.27092(11) 0.42573(5) 0.0352(2) Uani 1 1 d . . .
F1 F 0.63467(9) 0.1015(3) 0.45218(12) 0.0572(7) Uani 1 1 d . A .
F2 F 0.61268(10) 0.4402(3) 0.39973(14) 0.0682(8) Uani 1 1 d . A .
F3 F 0.63220(14) 0.2194(4) 0.36492(16) 0.0929(12) Uani 1 1 d . A .
F4A F 0.67423(16) 0.3104(6) 0.4490(2) 0.0562(13) Uiso 0.60 1 d P A 1
F4B F 0.6714(3) 0.3208(9) 0.4724(4) 0.065(2) Uiso 0.40 1 d P A 2
F5A F 0.6133(2) 0.3213(6) 0.4839(3) 0.0498(12) Uiso 0.60 1 d P A 1
F5B F 0.5948(5) 0.3046(16) 0.4696(7) 0.049(4) Uiso 0.20 1 d P A 2
F5C F 0.6346(5) 0.3186(14) 0.5002(6) 0.043(3) Uiso 0.20 1 d P A 3
F6A F 0.57277(16) 0.2250(6) 0.3891(3) 0.0503(12) Uiso 0.60 1 d P A 1
F6B F 0.5741(5) 0.2167(16) 0.4183(8) 0.054(4) Uiso 0.20 1 d P A 2
F6C F 0.5807(6) 0.226(2) 0.3681(8) 0.073(5) Uiso 0.20 1 d P A 3
N3 N 0.73740(19) 0.7342(7) 0.7936(3) 0.0923(17) Uani 1 1 d . . .
C33 C 0.74397(18) 0.7871(7) 0.8411(3) 0.0697(15) Uani 1 1 d . . .
C34 C 0.7510(2) 0.8541(9) 0.9019(3) 0.102(2) Uani 1 1 d . . .
H34A H 0.7545 0.9648 0.8999 0.154 Uiso 1 1 calc R . .
H34B H 0.7776 0.8104 0.9333 0.154 Uiso 1 1 calc R . .
H34C H 0.7254 0.8323 0.9135 0.154 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'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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'
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 Ru N2 92.55(15) . 2_656
N2 Ru N1 79.10(10) . .
N2 Ru N1 93.39(10) . 2_656
N1 Ru N1 169.22(15) . 2_656
N2 Ru S1 90.83(8) . .
N1 Ru S1 90.36(7) . .
N2 Ru S1 175.37(7) . 2_656
N1 Ru S1 97.54(7) . 2_656
S1 Ru S1 85.98(4) . 2_656
C2 S1 C1 103.61(17) . .
C2 S1 Ru 109.87(11) . .
C1 S1 Ru 103.20(12) . .
C8 N1 C12 117.8(3) . .
C8 N1 Ru 128.7(2) . .
C12 N1 Ru 113.5(2) . .
C19 N2 C15 117.6(3) . .
C19 N2 Ru 127.7(2) . .
C15 N2 Ru 114.6(2) . .
C1 C1 S1 108.0(2) 2_656 .
C3 C2 C7 120.9(3) . .
C3 C2 S1 114.8(3) . .
C7 C2 S1 124.2(3) . .
C2 C3 C4 119.9(4) . .
C5 C4 C3 119.6(4) . .
C4 C5 C6 120.5(4) . .
C5 C6 C7 120.5(4) . .
C2 C7 C6 118.7(4) . .
N1 C8 C9 122.7(3) . .
C10 C9 C8 120.8(3) . .
C9 C10 C11 118.0(3) . .
C9 C10 C20 121.2(3) . .
C11 C10 C20 120.8(3) . .
C12 C11 C10 117.6(3) . .
C12 C11 C13 117.8(3) . .
C10 C11 C13 124.6(3) . .
N1 C12 C11 123.0(3) . .
N1 C12 C15 117.0(3) . .
C11 C12 C15 119.9(3) . .
C14 C13 C11 122.1(3) . .
C13 C14 C16 121.3(3) . .
N2 C15 C16 123.2(3) . .
N2 C15 C12 115.8(3) . .
C16 C15 C12 120.9(3) . .
C15 C16 C17 117.7(3) . .
C15 C16 C14 117.4(3) . .
C17 C16 C14 124.9(3) . .
C18 C17 C16 117.5(3) . .
C18 C17 C26 120.2(3) . .
C16 C17 C26 122.2(3) . .
C17 C18 C19 121.0(3) . .
N2 C19 C18 122.7(3) . .
C25 C20 C21 119.2(3) . .
C25 C20 C10 119.8(3) . .
C21 C20 C10 120.9(3) . .
C22 C21 C20 119.2(4) . .
C23 C22 C21 120.7(4) . .
C24 C23 C22 119.9(4) . .
C23 C24 C25 120.3(4) . .
C20 C25 C24 120.5(4) . .
C31 C26 C27 119.2(3) . .
C31 C26 C17 120.3(3) . .
C27 C26 C17 120.4(3) . .
C28 C27 C26 120.4(4) . .
C29 C28 C27 120.1(3) . .
C28 C29 C30 119.8(3) . .
C29 C30 C31 120.6(4) . .
C30 C31 C26 119.8(3) . .
F5A P1 F4A 99.9(3) . .
F5A P1 F6C 113.0(8) . .
F4A P1 F6C 146.3(7) . .
F5A P1 F3 178.0(3) . .
F4A P1 F3 82.0(3) . .
F5A P1 F2 88.3(2) . .
F4A P1 F2 89.1(2) . .
F6C P1 F2 85.0(6) . .
F3 P1 F2 91.20(17) . .
F6C P1 F4B 167.5(8) . .
F3 P1 F4B 103.1(4) . .
F2 P1 F4B 91.5(3) . .
F5A P1 F1 91.5(2) . .
F4A P1 F1 90.7(2) . .
F6C P1 F1 95.3(6) . .
F3 P1 F1 89.03(16) . .
F2 P1 F1 179.7(2) . .
F4B P1 F1 88.3(3) . .
F5A P1 F6A 91.0(3) . .
F4A P1 F6A 168.9(3) . .
F3 P1 F6A 87.0(3) . .
F2 P1 F6A 89.5(2) . .
F4B P1 F6A 169.8(4) . .
F1 P1 F6A 90.7(2) . .
F4A P1 F6B 166.7(6) . .
F3 P1 F6B 108.2(6) . .
F2 P1 F6B 99.1(5) . .
F4B P1 F6B 146.6(7) . .
F1 P1 F6B 81.1(5) . .
F4A P1 F5B 121.0(6) . .
F6C P1 F5B 92.0(9) . .
F3 P1 F5B 157.0(6) . .
F2 P1 F5B 88.0(5) . .
F4B P1 F5B 99.9(6) . .
F1 P1 F5B 91.9(5) . .
F6C P1 F5C 135.6(8) . .
F3 P1 F5C 158.9(5) . .
F2 P1 F5C 95.0(4) . .
F1 P1 F5C 84.7(4) . .
F6A P1 F5C 113.1(5) . .
F6B P1 F5C 90.8(7) . .
P1 F6C F3 57.7(6) . .
N3 C33 C34 178.2(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru N2 2.071(3) .
Ru N1 2.088(2) .
Ru S1 2.3547(8) .
S1 C2 1.801(3) .
S1 C1 1.829(4) .
N1 C8 1.326(4) .
N1 C12 1.370(4) .
N2 C19 1.334(4) .
N2 C15 1.373(4) .
C1 C1 1.517(7) 2_656
C2 C3 1.381(5) .
C2 C7 1.390(5) .
C3 C4 1.393(5) .
C4 C5 1.377(7) .
C5 C6 1.383(7) .
C6 C7 1.394(6) .
C8 C9 1.398(4) .
C9 C10 1.374(5) .
C10 C11 1.423(5) .
C10 C20 1.494(4) .
C11 C12 1.411(4) .
C11 C13 1.424(5) .
C12 C15 1.429(4) .
C13 C14 1.352(5) .
C14 C16 1.435(4) .
C15 C16 1.403(4) .
C16 C17 1.425(5) .
C17 C18 1.384(5) .
C17 C26 1.485(4) .
C18 C19 1.386(5) .
C20 C25 1.380(5) .
C20 C21 1.401(5) .
C21 C22 1.390(6) .
C22 C23 1.377(7) .
C23 C24 1.365(6) .
C24 C25 1.388(5) .
C26 C31 1.387(5) .
C26 C27 1.396(5) .
C27 C28 1.385(5) .
C28 C29 1.375(6) .
C29 C30 1.383(5) .
C30 C31 1.387(5) .
P1 F5A 1.558(5) .
P1 F4A 1.574(5) .
P1 F6C 1.582(17) .
P1 F3 1.590(3) .
P1 F2 1.590(3) .
P1 F4B 1.594(8) .
P1 F1 1.595(3) .
P1 F6A 1.607(5) .
P1 F6B 1.626(14) .
P1 F5B 1.636(14) .
P1 F5C 1.670(12) .
N3 C33 1.134(8) .
C33 C34 1.456(9) .
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
N2 Ru S1 C2 52.75(15) . .
N2 Ru S1 C2 -170.4(9) 2_656 .
N1 Ru S1 C2 -26.36(15) . .
N1 Ru S1 C2 146.28(15) 2_656 .
S1 Ru S1 C2 -123.90(14) 2_656 .
N2 Ru S1 C1 162.73(15) . .
N2 Ru S1 C1 -60.4(10) 2_656 .
N1 Ru S1 C1 83.62(15) . .
N1 Ru S1 C1 -103.74(15) 2_656 .
S1 Ru S1 C1 -13.91(13) 2_656 .
N2 Ru N1 C8 -179.5(3) . .
N2 Ru N1 C8 88.5(3) 2_656 .
N1 Ru N1 C8 134.0(3) 2_656 .
S1 Ru N1 C8 -88.8(3) . .
S1 Ru N1 C8 -2.8(3) 2_656 .
N2 Ru N1 C12 0.9(2) . .
N2 Ru N1 C12 -91.0(2) 2_656 .
N1 Ru N1 C12 -45.5(2) 2_656 .
S1 Ru N1 C12 91.7(2) . .
S1 Ru N1 C12 177.7(2) 2_656 .
N2 Ru N2 C19 -91.2(3) 2_656 .
N1 Ru N2 C19 175.8(3) . .
N1 Ru N2 C19 -12.0(3) 2_656 .
S1 Ru N2 C19 85.6(3) . .
S1 Ru N2 C19 132.0(8) 2_656 .
N2 Ru N2 C15 93.7(2) 2_656 .
N1 Ru N2 C15 0.8(2) . .
N1 Ru N2 C15 173.0(2) 2_656 .
S1 Ru N2 C15 -89.4(2) . .
S1 Ru N2 C15 -43.1(11) 2_656 .
C2 S1 C1 C1 161.4(3) . 2_656
Ru S1 C1 C1 46.8(3) . 2_656
C1 S1 C2 C3 162.7(3) . .
Ru S1 C2 C3 -87.6(3) . .
C1 S1 C2 C7 -19.1(4) . .
Ru S1 C2 C7 90.6(3) . .
C7 C2 C3 C4 -1.0(6) . .
S1 C2 C3 C4 177.2(3) . .
C2 C3 C4 C5 0.1(6) . .
C3 C4 C5 C6 0.8(6) . .
C4 C5 C6 C7 -0.8(7) . .
C3 C2 C7 C6 1.1(6) . .
S1 C2 C7 C6 -177.0(3) . .
C5 C6 C7 C2 -0.1(6) . .
C12 N1 C8 C9 1.6(5) . .
Ru N1 C8 C9 -177.9(2) . .
N1 C8 C9 C10 -1.5(5) . .
C8 C9 C10 C11 0.0(5) . .
C8 C9 C10 C20 178.9(3) . .
C9 C10 C11 C12 1.3(5) . .
C20 C10 C11 C12 -177.6(3) . .
C9 C10 C11 C13 179.9(3) . .
C20 C10 C11 C13 1.0(5) . .
C8 N1 C12 C11 -0.2(5) . .
Ru N1 C12 C11 179.4(2) . .
C8 N1 C12 C15 177.9(3) . .
Ru N1 C12 C15 -2.5(4) . .
C10 C11 C12 N1 -1.2(5) . .
C13 C11 C12 N1 -180.0(3) . .
C10 C11 C12 C15 -179.3(3) . .
C13 C11 C12 C15 1.9(5) . .
C12 C11 C13 C14 -4.9(5) . .
C10 C11 C13 C14 176.5(3) . .
C11 C13 C14 C16 1.2(5) . .
C19 N2 C15 C16 -1.1(5) . .
Ru N2 C15 C16 174.4(2) . .
C19 N2 C15 C12 -177.9(3) . .
Ru N2 C15 C12 -2.3(4) . .
N1 C12 C15 N2 3.2(4) . .
C11 C12 C15 N2 -178.6(3) . .
N1 C12 C15 C16 -173.6(3) . .
C11 C12 C15 C16 4.6(5) . .
N2 C15 C16 C17 -3.4(5) . .
C12 C15 C16 C17 173.2(3) . .
N2 C15 C16 C14 175.3(3) . .
C12 C15 C16 C14 -8.1(5) . .
C13 C14 C16 C15 5.3(5) . .
C13 C14 C16 C17 -176.1(3) . .
C15 C16 C17 C18 5.0(5) . .
C14 C16 C17 C18 -173.6(3) . .
C15 C16 C17 C26 -173.1(3) . .
C14 C16 C17 C26 8.4(5) . .
C16 C17 C18 C19 -2.5(5) . .
C26 C17 C18 C19 175.7(3) . .
C15 N2 C19 C18 4.0(5) . .
Ru N2 C19 C18 -170.9(3) . .
C17 C18 C19 N2 -2.3(5) . .
C9 C10 C20 C25 -66.5(5) . .
C11 C10 C20 C25 112.4(4) . .
C9 C10 C20 C21 115.0(4) . .
C11 C10 C20 C21 -66.1(5) . .
C25 C20 C21 C22 1.1(6) . .
C10 C20 C21 C22 179.6(4) . .
C20 C21 C22 C23 -2.0(7) . .
C21 C22 C23 C24 0.3(7) . .
C22 C23 C24 C25 2.2(7) . .
C21 C20 C25 C24 1.3(6) . .
C10 C20 C25 C24 -177.2(4) . .
C23 C24 C25 C20 -3.0(7) . .
C18 C17 C26 C31 49.1(5) . .
C16 C17 C26 C31 -132.9(4) . .
C18 C17 C26 C27 -128.6(4) . .
C16 C17 C26 C27 49.4(5) . .
C31 C26 C27 C28 0.9(5) . .
C17 C26 C27 C28 178.6(3) . .
C26 C27 C28 C29 1.5(6) . .
C27 C28 C29 C30 -2.2(6) . .
C28 C29 C30 C31 0.5(6) . .
C29 C30 C31 C26 1.9(6) . .
C27 C26 C31 C30 -2.6(5) . .
C17 C26 C31 C30 179.7(3) . .
