#------------------------------------------------------------------------------
#$Date: 2019-11-17 11:14:22 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229524 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/51/7045138.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_7045138
loop_
_publ_author_name
'Flowers, S. E.'
'Johnson, M. C.'
'Pitre, B. Z.'
'Cossairt, B. M.'
_publ_section_title
;
 Synthetic routes to a coordinatively unsaturated ruthenium complex
 supported by a tripodal, protic bis(N-heterocyclic carbene) phosphine
 ligand.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1276
_journal_page_last               1283
_journal_paper_doi               10.1039/c7dt04333c
_journal_volume                  47
_journal_year                    2018
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C66 H92 Cl4 N8 O5 P2 Ru2 S5'
_chemical_formula_sum            'C66 H92 Cl4 N8 O5 P2 Ru2 S5'
_chemical_formula_weight         1643.66
_chemical_name_common            sef3_24
_chemical_name_systematic
;
 sef3_24a_0m
;
_chemical_properties_physical    Air-sensitive
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yac'
_space_group_name_H-M_alt        'P 1 2/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_creation_date             2017-08-24T15:15:45-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2017-08-26 deposited with the CCDC.
2017-12-20 downloaded from the CCDC.
;
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 95.679(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            2
_cell_length_a                   13.445(5)
_cell_length_b                   10.038(5)
_cell_length_c                   27.511(5)
_cell_measurement_reflns_used    7838
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      20
_cell_measurement_theta_min      3
_cell_measurement_wavelength     0.71073
_cell_volume                     3695(2)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.899
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1776
_diffrn_reflns_av_unetI/netI     0.1828
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            49234
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         27.75
_diffrn_reflns_theta_min         1.49
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.791
_exptl_absorpt_correction_T_max  0.9615
_exptl_absorpt_correction_T_min  0.9216
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.477
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1700
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.321
_refine_diff_density_min         -2.114
_refine_diff_density_rms         0.203
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.968
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     429
_refine_ls_number_reflns         7838
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.968
_refine_ls_R_factor_all          0.1762
_refine_ls_R_factor_gt           0.0666
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0891P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.142
_refine_ls_wR_factor_ref         0.1904
_reflns_number_gt                3894
_reflns_number_total             7838
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c7dt04333c2.cif
_cod_data_source_block           sef3_24a_0m
_cod_depositor_comments
'Adding full bibliography for 7045138--7045140.cif.'
_cod_database_code               7045138
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, 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
C1 C 0.4697(5) 0.3230(6) 0.6793(3) 0.0207(16) Uani 1 1 d .
C2 C 0.5445(6) 0.4949(7) 0.7220(3) 0.0264(18) Uani 1 1 d .
C3 C 0.6016(6) 0.6051(7) 0.7380(3) 0.0305(19) Uani 1 1 d .
H3A H 0.6387 0.6542 0.7164 0.037 Uiso 1 1 calc R
C4 C 0.6019(6) 0.6405(8) 0.7873(3) 0.033(2) Uani 1 1 d .
C5 C 0.5489(6) 0.5652(8) 0.8199(3) 0.034(2) Uani 1 1 d .
C6 C 0.4935(6) 0.4539(8) 0.8037(3) 0.033(2) Uani 1 1 d .
H6 H 0.4582 0.4022 0.8253 0.04 Uiso 1 1 calc R
C7 C 0.4920(6) 0.4215(7) 0.7541(3) 0.0297(19) Uani 1 1 d .
C8 C 0.6590(7) 0.7623(8) 0.8062(3) 0.047(3) Uani 1 1 d .
H8A H 0.6926 0.8024 0.7797 0.07 Uiso 1 1 calc R
H8B H 0.709 0.7367 0.8329 0.07 Uiso 1 1 calc R
H8C H 0.6126 0.827 0.8182 0.07 Uiso 1 1 calc R
C9 C 0.5532(7) 0.6008(9) 0.8735(3) 0.045(2) Uani 1 1 d .
H9A H 0.5123 0.5379 0.8901 0.068 Uiso 1 1 calc R
H9B H 0.5275 0.6914 0.8769 0.068 Uiso 1 1 calc R
H9C H 0.6226 0.5963 0.8882 0.068 Uiso 1 1 calc R
C10 C 0.3846(6) 0.2166(8) 0.7465(3) 0.037(2) Uani 1 1 d .
H10A H 0.3168 0.2176 0.7288 0.045 Uiso 1 1 calc R
H10B H 0.3782 0.2354 0.7814 0.045 Uiso 1 1 calc R
C11 C 0.4322(6) 0.0786(8) 0.7415(3) 0.036(2) Uani 1 1 d .
H11A H 0.3935 0.0116 0.7582 0.043 Uiso 1 1 calc R
H11B H 0.5011 0.0797 0.758 0.043 Uiso 1 1 calc R
C12 C 0.5606(5) 0.1684(6) 0.6058(2) 0.0171(15) Uani 1 1 d .
C13 C 0.7120(5) 0.2214(6) 0.5807(3) 0.0194(16) Uani 1 1 d .
C14 C 0.7957(5) 0.2853(7) 0.5660(3) 0.0266(18) Uani 1 1 d .
H14 H 0.7935 0.3771 0.5576 0.032 Uiso 1 1 calc R
C15 C 0.8830(5) 0.2112(7) 0.5639(3) 0.0238(17) Uani 1 1 d .
C16 C 0.8868(5) 0.0769(7) 0.5782(3) 0.0266(18) Uani 1 1 d .
C17 C 0.8013(5) 0.0159(7) 0.5936(3) 0.0219(17) Uani 1 1 d .
H17 H 0.8032 -0.0752 0.6031 0.026 Uiso 1 1 calc R
C18 C 0.7153(5) 0.0881(6) 0.5950(3) 0.0195(16) Uani 1 1 d .
C19 C 0.9743(6) 0.2777(8) 0.5474(3) 0.036(2) Uani 1 1 d .
H19A H 1.028 0.277 0.5742 0.054 Uiso 1 1 calc R
H19B H 0.9582 0.3699 0.5379 0.054 Uiso 1 1 calc R
H19C H 0.9961 0.2293 0.5194 0.054 Uiso 1 1 calc R
C20 C 0.9809(5) -0.0005(7) 0.5778(3) 0.033(2) Uani 1 1 d .
H20A H 1.0027 0.0007 0.5448 0.049 Uiso 1 1 calc R
H20B H 0.9693 -0.0927 0.5875 0.049 Uiso 1 1 calc R
H20C H 1.0328 0.0395 0.6007 0.049 Uiso 1 1 calc R
C21 C 0.5952(6) -0.0706(7) 0.6292(3) 0.0273(18) Uani 1 1 d .
H21A H 0.6545 -0.1296 0.632 0.033 Uiso 1 1 calc R
H21B H 0.5425 -0.1133 0.6068 0.033 Uiso 1 1 calc R
C22 C 0.5575(6) -0.0523(8) 0.6800(3) 0.035(2) Uani 1 1 d .
H22A H 0.6065 0.0017 0.7008 0.042 Uiso 1 1 calc R
H22B H 0.5528 -0.1406 0.6957 0.042 Uiso 1 1 calc R
C23 C 0.3466(6) -0.1068(7) 0.6728(3) 0.0255(17) Uani 1 1 d .
C24 C 0.2455(6) -0.0771(7) 0.6719(3) 0.0300(19) Uani 1 1 d .
H24 H 0.2251 0.0134 0.6689 0.036 Uiso 1 1 calc R
C25 C 0.1732(6) -0.1743(8) 0.6752(3) 0.036(2) Uani 1 1 d .
H25 H 0.1046 -0.151 0.6746 0.043 Uiso 1 1 calc R
C26 C 0.2036(6) -0.3072(8) 0.6793(3) 0.036(2) Uani 1 1 d .
H26 H 0.1556 -0.3754 0.6824 0.044 Uiso 1 1 calc R
C27 C 0.3005(6) -0.3385(7) 0.6789(3) 0.034(2) Uani 1 1 d .
H27 H 0.3201 -0.4294 0.6806 0.041 Uiso 1 1 calc R
C28 C 0.3725(6) -0.2405(7) 0.6760(3) 0.035(2) Uani 1 1 d .
H28 H 0.4407 -0.2655 0.6763 0.042 Uiso 1 1 calc R
C29 C 0.3965(6) 0.1351(7) 0.5006(3) 0.0301(19) Uani 1 1 d .
H29A H 0.4691 0.1475 0.5021 0.045 Uiso 1 1 calc R
H29B H 0.3632 0.2215 0.4956 0.045 Uiso 1 1 calc R
H29C H 0.3746 0.0754 0.4735 0.045 Uiso 1 1 calc R
C30 C 0.2331(6) 0.0531(9) 0.5439(3) 0.041(2) Uani 1 1 d .
H30A H 0.2169 0.0023 0.5137 0.061 Uiso 1 1 calc R
H30B H 0.205 0.1429 0.5399 0.061 Uiso 1 1 calc R
H30C H 0.2049 0.0082 0.571 0.061 Uiso 1 1 calc R
C31 C 0.2441(6) 0.4683(8) 0.5373(3) 0.043(2) Uani 1 1 d .
H31A H 0.2583 0.4445 0.5041 0.065 Uiso 1 1 calc R
H31B H 0.2048 0.5506 0.5362 0.065 Uiso 1 1 calc R
H31C H 0.2062 0.3963 0.5509 0.065 Uiso 1 1 calc R
C32 C 0.4139(6) 0.6058(7) 0.5347(3) 0.039(2) Uani 1 1 d .
H32A H 0.4811 0.6301 0.5491 0.058 Uiso 1 1 calc R
H32B H 0.3726 0.6861 0.5303 0.058 Uiso 1 1 calc R
H32C H 0.4183 0.5629 0.503 0.058 Uiso 1 1 calc R
N1 N 0.5295(4) 0.4322(5) 0.6766(2) 0.0220(14) Uani 1 1 d .
H1 H 0.5549 0.4592 0.6501 0.026 Uiso 1 1 calc R
N2 N 0.4459(5) 0.3185(6) 0.7267(2) 0.0280(15) Uani 1 1 d .
N3 N 0.6172(4) 0.2654(5) 0.5878(2) 0.0203(14) Uani 1 1 d .
H3 H 0.5959 0.3471 0.5814 0.024 Uiso 1 1 calc R
N4 N 0.6216(4) 0.0588(5) 0.6093(2) 0.0207(14) Uani 1 1 d .
P1 P 0.43609(15) 0.02878(18) 0.67665(7) 0.0245(5) Uani 1 1 d .
Cl1 Cl 0.24672(14) 0.26591(17) 0.63790(7) 0.0260(4) Uani 1 1 d .
Cl2 Cl 0.65415(14) 0.57895(17) 0.59845(7) 0.0304(5) Uani 1 1 d .
Ru1 Ru 0.42066(4) 0.19849(5) 0.62290(2) 0.01912(18) Uani 1 1 d .
O1 O 0.3996(4) -0.0768(4) 0.5559(2) 0.0342(14) Uani 1 1 d .
O2 O 0.4193(3) 0.3667(4) 0.56994(17) 0.0228(11) Uani 1 1 d .
S1 S 0.36521(13) 0.06387(17) 0.55662(7) 0.0214(4) Uani 1 1 d .
S2 S 0.35867(15) 0.49277(18) 0.57462(7) 0.0301(5) Uani 1 1 d .
O3 O 0.75 0.0709(7) 0.75 0.062(3) Uani 1 2 d S
S3 S 0.6996(3) 0.2104(4) 0.74476(15) 0.0298(9) Uani 0.5 1 d P
C33 C 0.7739(7) 0.2947(9) 0.7029(3) 0.048(2) Uani 1 1 d .
H33A H 0.8446 0.2896 0.7153 0.071 Uiso 1 1 calc R
H33B H 0.7534 0.3883 0.7 0.071 Uiso 1 1 calc R
H33C H 0.7638 0.2519 0.6708 0.071 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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 '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'
P P 0.1023 0.0942 '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'
O O 0.0106 0.006 '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'
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
N1 C1 N2 105.7(6) . .
N1 C1 Ru1 126.6(5) . .
N2 C1 Ru1 127.6(5) . .
C3 C2 N1 131.9(7) . .
C3 C2 C7 121.1(7) . .
N1 C2 C7 107.0(6) . .
C2 C3 C4 117.1(8) . .
C2 C3 H3A 121.5 . .
C4 C3 H3A 121.5 . .
C3 C4 C5 121.6(7) . .
C3 C4 C8 119.4(8) . .
C5 C4 C8 119.1(8) . .
C6 C5 C4 120.9(7) . .
C6 C5 C9 118.0(8) . .
C4 C5 C9 121.1(8) . .
C5 C6 C7 116.9(8) . .
C5 C6 H6 121.5 . .
C7 C6 H6 121.5 . .
N2 C7 C2 106.0(7) . .
N2 C7 C6 131.6(8) . .
C2 C7 C6 122.4(7) . .
C4 C8 H8A 109.5 . .
C4 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C4 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C5 C9 H9A 109.5 . .
C5 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C5 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
N2 C10 C11 110.1(6) . .
N2 C10 H10A 109.6 . .
C11 C10 H10A 109.6 . .
N2 C10 H10B 109.6 . .
C11 C10 H10B 109.6 . .
H10A C10 H10B 108.2 . .
C10 C11 P1 112.3(5) . .
C10 C11 H11A 109.1 . .
P1 C11 H11A 109.1 . .
C10 C11 H11B 109.1 . .
P1 C11 H11B 109.1 . .
H11A C11 H11B 107.9 . .
N3 C12 N4 104.3(6) . .
N3 C12 Ru1 123.4(5) . .
N4 C12 Ru1 132.3(5) . .
N3 C13 C14 132.7(6) . .
N3 C13 C18 105.7(6) . .
C14 C13 C18 121.5(6) . .
C13 C14 C15 118.3(6) . .
C13 C14 H14 120.8 . .
C15 C14 H14 120.8 . .
C14 C15 C16 120.5(6) . .
C14 C15 C19 119.4(6) . .
C16 C15 C19 120.1(6) . .
C15 C16 C17 119.7(6) . .
C15 C16 C20 120.5(7) . .
C17 C16 C20 119.8(6) . .
C18 C17 C16 119.7(6) . .
C18 C17 H17 120.1 . .
C16 C17 H17 120.1 . .
C17 C18 N4 133.5(6) . .
C17 C18 C13 120.2(6) . .
N4 C18 C13 106.2(6) . .
C15 C19 H19A 109.5 . .
C15 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C15 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C16 C20 H20A 109.5 . .
C16 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C16 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
N4 C21 C22 110.2(6) . .
N4 C21 H21A 109.6 . .
C22 C21 H21A 109.6 . .
N4 C21 H21B 109.6 . .
C22 C21 H21B 109.6 . .
H21A C21 H21B 108.1 . .
C21 C22 P1 112.4(5) . .
C21 C22 H22A 109.1 . .
P1 C22 H22A 109.1 . .
C21 C22 H22B 109.1 . .
P1 C22 H22B 109.1 . .
H22A C22 H22B 107.9 . .
C28 C23 C24 116.6(7) . .
C28 C23 P1 124.2(6) . .
C24 C23 P1 118.9(5) . .
C25 C24 C23 122.6(7) . .
C25 C24 H24 118.7 . .
C23 C24 H24 118.7 . .
C24 C25 C26 118.5(7) . .
C24 C25 H25 120.8 . .
C26 C25 H25 120.8 . .
C27 C26 C25 119.9(7) . .
C27 C26 H26 120 . .
C25 C26 H26 120 . .
C26 C27 C28 121.3(7) . .
C26 C27 H27 119.4 . .
C28 C27 H27 119.4 . .
C23 C28 C27 121.1(8) . .
C23 C28 H28 119.5 . .
C27 C28 H28 119.5 . .
S1 C29 H29A 109.5 . .
S1 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
S1 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
S1 C30 H30A 109.5 . .
S1 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
S1 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
S2 C31 H31A 109.5 . .
S2 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
S2 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
S2 C32 H32A 109.5 . .
S2 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
S2 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C1 N1 C2 110.4(6) . .
C1 N1 H1 124.8 . .
C2 N1 H1 124.8 . .
C1 N2 C7 110.9(6) . .
C1 N2 C10 125.0(6) . .
C7 N2 C10 124.0(7) . .
C12 N3 C13 112.4(5) . .
C12 N3 H3 123.8 . .
C13 N3 H3 123.8 . .
C12 N4 C18 111.3(5) . .
C12 N4 C21 124.9(6) . .
C18 N4 C21 123.6(6) . .
C23 P1 C22 104.7(3) . .
C23 P1 C11 100.1(3) . .
C22 P1 C11 100.5(4) . .
C23 P1 Ru1 120.8(3) . .
C22 P1 Ru1 113.3(3) . .
C11 P1 Ru1 114.7(3) . .
C12 Ru1 C1 91.8(3) . .
C12 Ru1 O2 84.7(2) . .
C1 Ru1 O2 90.8(2) . .
C12 Ru1 P1 90.75(19) . .
C1 Ru1 P1 87.9(2) . .
O2 Ru1 P1 175.19(13) . .
C12 Ru1 S1 87.91(19) . .
C1 Ru1 S1 177.7(2) . .
O2 Ru1 S1 86.93(13) . .
P1 Ru1 S1 94.40(8) . .
C12 Ru1 Cl1 172.03(19) . .
C1 Ru1 Cl1 86.9(2) . .
O2 Ru1 Cl1 87.47(13) . .
P1 Ru1 Cl1 97.06(7) . .
S1 Ru1 Cl1 93.08(7) . .
S2 O2 Ru1 123.1(3) . .
O1 S1 C30 104.2(4) . .
O1 S1 C29 105.6(3) . .
C30 S1 C29 99.8(4) . .
O1 S1 Ru1 119.0(2) . .
C30 S1 Ru1 115.1(3) . .
C29 S1 Ru1 111.0(3) . .
O2 S2 C31 106.1(4) . .
O2 S2 C32 102.5(3) . .
C31 S2 C32 97.0(4) . .
S3 O3 S3 51.7(4) 2_656 .
S3 S3 O3 64.15(18) 2_656 .
S3 S3 C33 72.2(4) 2_656 2_656
O3 S3 C33 108.7(4) . 2_656
S3 S3 C33 62.1(4) 2_656 .
O3 S3 C33 102.6(4) . .
C33 S3 C33 103.1(5) 2_656 .
S3 C33 H33A 109.5 . .
S3 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
S3 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.366(8) .
C1 N2 1.375(9) .
C1 Ru1 2.049(7) .
C2 C3 1.393(10) .
C2 N1 1.393(9) .
C2 C7 1.396(11) .
C3 C4 1.404(11) .
C3 H3A 0.95 .
C4 C5 1.417(12) .
C4 C8 1.509(11) .
C5 C6 1.391(11) .
C5 C9 1.513(10) .
C6 C7 1.401(10) .
C6 H6 0.95 .
C7 N2 1.389(9) .
C8 H8A 0.98 .
C8 H8B 0.98 .
C8 H8C 0.98 .
C9 H9A 0.98 .
C9 H9B 0.98 .
C9 H9C 0.98 .
C10 N2 1.453(9) .
C10 C11 1.538(11) .
C10 H10A 0.99 .
C10 H10B 0.99 .
C11 P1 1.859(8) .
C11 H11A 0.99 .
C11 H11B 0.99 .
C12 N3 1.359(8) .
C12 N4 1.370(8) .
C12 Ru1 2.007(7) .
C13 N3 1.381(9) .
C13 C14 1.389(9) .
C13 C18 1.394(9) .
C14 C15 1.396(10) .
C14 H14 0.95 .
C15 C16 1.404(10) .
C15 C19 1.506(10) .
C16 C17 1.405(10) .
C16 C20 1.486(10) .
C17 C18 1.369(9) .
C17 H17 0.95 .
C18 N4 1.387(9) .
C19 H19A 0.98 .
C19 H19B 0.98 .
C19 H19C 0.98 .
C20 H20A 0.98 .
C20 H20B 0.98 .
C20 H20C 0.98 .
C21 N4 1.467(8) .
C21 C22 1.544(10) .
C21 H21A 0.99 .
C21 H21B 0.99 .
C22 P1 1.818(8) .
C22 H22A 0.99 .
C22 H22B 0.99 .
C23 C28 1.388(10) .
C23 C24 1.390(10) .
C23 P1 1.812(8) .
C24 C25 1.386(10) .
C24 H24 0.95 .
C25 C26 1.396(10) .
C25 H25 0.95 .
C26 C27 1.341(11) .
C26 H26 0.95 .
C27 C28 1.388(10) .
C27 H27 0.95 .
C28 H28 0.95 .
C29 S1 1.786(7) .
C29 H29A 0.98 .
C29 H29B 0.98 .
C29 H29C 0.98 .
C30 S1 1.779(8) .
C30 H30A 0.98 .
C30 H30B 0.98 .
C30 H30C 0.98 .
C31 S2 1.782(8) .
C31 H31A 0.98 .
C31 H31B 0.98 .
C31 H31C 0.98 .
C32 S2 1.790(8) .
C32 H32A 0.98 .
C32 H32B 0.98 .
C32 H32C 0.98 .
N1 H1 0.88 .
N3 H3 0.88 .
P1 Ru1 2.252(2) .
Cl1 Ru1 2.508(2) .
Ru1 O2 2.229(4) .
Ru1 S1 2.332(2) .
O1 S1 1.487(5) .
O2 S2 1.518(5) .
O3 S3 1.556(7) 2_656
O3 S3 1.556(7) .
S3 S3 1.357(8) 2_656
S3 C33 1.677(10) 2_656
S3 C33 1.806(9) .
C33 H33A 0.98 .
C33 H33B 0.98 .
C33 H33C 0.98 .
