#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/05/4310595.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_4310595
loop_
_publ_author_name
'Jing-Lin Chen'
'Li-Yi Zhang'
'Zhong-Ning Chen'
'Li-Bin Gao'
'Masaaki Abe'
'Yoichi Sasaki'
_publ_contact_author
;
Zhong-Ning Chen
Fujian Institute of Research on the Structure of Matter, 
Chinese Academy of Sciences, Fuzhou, Fujian 350002, China.
;
_publ_contact_author_email       '  czn@ms.fjirsm.ac.cn '
_publ_section_title
;
 Syntheses, Structures, and Redox Properties of Dimeric Triruthenium
 Clusters Bridged by Bis(diphenylphosphino)acetylene and -ethylene
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1481
_journal_page_last               1490
_journal_paper_doi               10.1021/ic0344968
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C35.5 H40 Cl N2 O15 P Ru3'
_chemical_formula_weight         1104.32
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           148
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            18
_cell_length_a                   34.0681(3)
_cell_length_b                   34.0681(3)
_cell_length_c                   22.4790(4)
_cell_measurement_reflns_used    200
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.50
_cell_measurement_theta_min      1.14
_cell_volume                     22594.5(5)
_computing_cell_refinement       'Siemens SMART & SAINT'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens XPREP'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Siemens SHELXTL'
_computing_structure_solution    'Siemens SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0515
_diffrn_reflns_av_sigmaI/netI    0.0569
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            15070
_diffrn_reflns_theta_full        22.50
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         1.14
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.033
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  .5789
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.461
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             9918
_exptl_crystal_size_max          .65
_exptl_crystal_size_mid          .34
_exptl_crystal_size_min          .34
_refine_diff_density_max         1.225
_refine_diff_density_min         -0.707
_refine_diff_density_rms         0.244
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.184
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     536
_refine_ls_number_reflns         6572
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.185
_refine_ls_R_factor_all          0.1082
_refine_ls_R_factor_gt           0.0676
_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)+(0.0996P)²+395.4113P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1835
_refine_ls_wR_factor_ref         0.2263
_reflns_number_gt                4647
_reflns_number_total             6572
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0344968si20031017_122604_4.cif
_cod_data_source_block           4_Compound5a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Rhombohedral' changed to 'rhombohedral'
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_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'C35.50 H40 Cl N2 O15 P Ru3'
_cod_database_code               4310595
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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 0.75959(3) 0.03201(3) 0.64660(4) 0.0493(3) Uani 1 1 d . . .
Ru2 Ru 0.65771(3) -0.06232(3) 0.67126(4) 0.0511(3) Uani 1 1 d . . .
Ru3 Ru 0.74955(4) -0.05306(4) 0.73444(5) 0.0622(4) Uani 1 1 d . . .
Cl1 Cl 0.6455(6) 0.1729(11) 0.6395(8) 0.290(15) Uani 0.50 1 d PD . .
Cl2 Cl 0.6075(4) 0.1335(6) 0.7492(8) 0.168(6) Uani 0.50 1 d PD . .
P1 P 0.79974(11) 0.10574(11) 0.60561(14) 0.0546(8) Uani 1 1 d . . .
O1 O 0.7211(3) -0.0298(2) 0.6851(3) 0.051(2) Uani 1 1 d . . .
O2 O 0.6481(3) -0.0074(3) 0.6769(4) 0.063(2) Uani 1 1 d . . .
O3 O 0.7164(3) 0.0543(3) 0.6706(4) 0.063(2) Uani 1 1 d . . .
O4 O 0.6637(3) -0.0555(4) 0.5817(4) 0.077(3) Uani 1 1 d . . .
O5 O 0.7277(3) 0.0097(3) 0.5668(3) 0.073(3) Uani 1 1 d . . .
O6 O 0.7957(3) 0.0610(3) 0.7229(4) 0.071(3) Uani 1 1 d . . .
O7 O 0.7830(4) 0.0039(4) 0.7834(4) 0.081(3) Uani 1 1 d . . .
O8 O 0.8069(3) 0.0175(4) 0.6164(5) 0.085(3) Uani 1 1 d . . .
O9 O 0.8033(4) -0.0351(4) 0.6790(5) 0.094(4) Uani 1 1 d . . .
O10 O 0.6545(4) -0.1237(3) 0.6617(5) 0.085(3) Uani 1 1 d . . .
O11 O 0.7187(5) -0.1153(4) 0.6948(5) 0.103(4) Uani 1 1 d . . .
O12 O 0.6420(3) -0.0743(4) 0.7595(4) 0.081(3) Uani 1 1 d . . .
O13 O 0.7014(4) -0.0749(4) 0.7995(4) 0.089(3) Uani 1 1 d . . .
O14 O 0.9100(9) -0.0490(9) 0.9696(16) 0.151(13) Uani 0.50 1 d P . .
O15 O 0.9174(7) 0.0633(7) 0.7416(10) 0.222(10) Uani 1 1 d . . .
O16 O 0.9359(11) 0.0751(13) 0.877(2) 0.21(2) Uani 0.50 1 d P . .
N1 N 0.5861(4) -0.1011(3) 0.6547(5) 0.062(3) Uani 1 1 d . . .
N2 N 0.7815(5) -0.0797(5) 0.7899(6) 0.076(3) Uani 1 1 d . . .
C1 C 0.6738(4) 0.0341(4) 0.6764(5) 0.048(3) Uani 1 1 d . . .
C01 C 0.6026(13) 0.1403(18) 0.6759(19) 0.17(2) Uani 0.50 1 d PD . .
H01A H 0.5895 0.1106 0.6575 0.204 Uiso 0.50 1 calc PR . .
H01B H 0.5808 0.1504 0.6712 0.204 Uiso 0.50 1 calc PR . .
C2 C 0.6535(5) 0.0634(5) 0.6828(6) 0.066(4) Uani 1 1 d . . .
H2A H 0.6213 0.0449 0.6876 0.099 Uiso 1 1 calc R . .
H2B H 0.6599 0.0818 0.6478 0.099 Uiso 1 1 calc R . .
H2C H 0.6662 0.0825 0.7170 0.099 Uiso 1 1 calc R . .
C3 C 0.6920(5) -0.0244(4) 0.5498(6) 0.057(3) Uani 1 1 d . . .
C4 C 0.6826(5) -0.0288(5) 0.4844(6) 0.080(4) Uani 1 1 d . . .
H4A H 0.6555 -0.0571 0.4765 0.120 Uiso 1 1 calc R . .
H4B H 0.7076 -0.0280 0.4637 0.120 Uiso 1 1 calc R . .
H4C H 0.6787 -0.0042 0.4711 0.120 Uiso 1 1 calc R . .
C5 C 0.7980(4) 0.0454(5) 0.7716(6) 0.058(3) Uani 1 1 d . . .
C6 C 0.8223(5) 0.0790(5) 0.8206(6) 0.075(4) Uani 1 1 d . . .
H6A H 0.8319 0.1091 0.8064 0.112 Uiso 1 1 calc R . .
H6B H 0.8482 0.0771 0.8329 0.112 Uiso 1 1 calc R . .
H6C H 0.8022 0.0724 0.8538 0.112 Uiso 1 1 calc R . .
C7 C 0.8193(5) -0.0091(6) 0.6358(7) 0.075(4) Uani 1 1 d . . .
C8 C 0.8598(6) -0.0059(7) 0.6056(8) 0.111(6) Uani 1 1 d . . .
H8A H 0.8670 -0.0272 0.6232 0.166 Uiso 1 1 calc R . .
H8B H 0.8850 0.0242 0.6099 0.166 Uiso 1 1 calc R . .
H8C H 0.8533 -0.0128 0.5641 0.166 Uiso 1 1 calc R . .
C9 C 0.6812(6) -0.1362(5) 0.6715(6) 0.073(4) Uani 1 1 d . . .
C10 C 0.6660(8) -0.1845(6) 0.6510(9) 0.121(7) Uani 1 1 d . . .
H10A H 0.6889 -0.1920 0.6609 0.181 Uiso 1 1 calc R . .
H10B H 0.6614 -0.1866 0.6087 0.181 Uiso 1 1 calc R . .
H10C H 0.6382 -0.2053 0.6705 0.181 Uiso 1 1 calc R . .
C11 C 0.6632(5) -0.0783(4) 0.8020(6) 0.065(4) Uani 1 1 d . . .
C12 C 0.6409(5) -0.0861(6) 0.8617(6) 0.089(5) Uani 1 1 d . . .
H12A H 0.6119 -0.0880 0.8573 0.134 Uiso 1 1 calc R . .
H12B H 0.6596 -0.0613 0.8877 0.134 Uiso 1 1 calc R . .
H12C H 0.6368 -0.1138 0.8783 0.134 Uiso 1 1 calc R . .
C13 C 0.8144(4) 0.1466(4) 0.6659(6) 0.061(3) Uani 1 1 d . . .
H13A H 0.7942 0.1389 0.6975 0.073 Uiso 1 1 calc R . .
C21 C 0.5624(6) -0.1430(6) 0.6755(8) 0.104(6) Uani 1 1 d . . .
H21A H 0.5764 -0.1548 0.6994 0.125 Uiso 1 1 calc R . .
C22 C 0.5167(7) -0.1693(7) 0.6614(12) 0.141(9) Uani 1 1 d . . .
H22A H 0.5004 -0.1990 0.6752 0.169 Uiso 1 1 calc R . .
C23 C 0.4960(7) -0.1523(9) 0.6281(11) 0.130(8) Uani 1 1 d . . .
H23A H 0.4649 -0.1690 0.6217 0.156 Uiso 1 1 calc R . .
C24 C 0.5216(7) -0.1096(8) 0.6033(10) 0.130(8) Uani 1 1 d . . .
H24A H 0.5090 -0.0975 0.5775 0.156 Uiso 1 1 calc R . .
C25 C 0.5670(6) -0.0859(6) 0.6191(9) 0.103(6) Uani 1 1 d . . .
H25A H 0.5849 -0.0571 0.6031 0.123 Uiso 1 1 calc R . .
C31 C 0.8250(10) -0.0560(9) 0.7977(9) 0.129(8) Uani 1 1 d . . .
H31A H 0.8414 -0.0279 0.7793 0.155 Uiso 1 1 calc R . .
C32 C 0.8498(9) -0.0733(14) 0.8361(12) 0.187(14) Uani 1 1 d . . .
H32A H 0.8809 -0.0585 0.8428 0.224 Uiso 1 1 calc R . .
C33 C 0.8196(14) -0.1131(13) 0.8587(17) 0.187(13) Uiso 1 1 d . . .
H33A H 0.8316 -0.1254 0.8850 0.224 Uiso 1 1 calc R . .
C34 C 0.7780(12) -0.1368(9) 0.8506(16) 0.212(17) Uani 1 1 d . . .
H34A H 0.7605 -0.1652 0.8679 0.254 Uiso 1 1 calc R . .
C35 C 0.7607(9) -0.1179(9) 0.8147(10) 0.130(8) Uani 1 1 d . . .
H35A H 0.7297 -0.1350 0.8071 0.157 Uiso 1 1 calc R . .
C101 C 0.7661(4) 0.1179(4) 0.5553(5) 0.060(3) Uani 1 1 d . . .
C102 C 0.7491(5) 0.1463(5) 0.5709(7) 0.078(4) Uani 1 1 d . . .
H10D H 0.7561 0.1606 0.6078 0.093 Uiso 1 1 calc R . .
C103 C 0.7219(6) 0.1530(6) 0.5317(10) 0.101(6) Uani 1 1 d . . .
H10E H 0.7105 0.1718 0.5423 0.121 Uiso 1 1 calc R . .
C104 C 0.7114(5) 0.1318(6) 0.4758(9) 0.092(5) Uani 1 1 d . . .
H10F H 0.6937 0.1372 0.4492 0.110 Uiso 1 1 calc R . .
C105 C 0.7265(6) 0.1039(5) 0.4606(7) 0.083(5) Uani 1 1 d . . .
H10G H 0.7187 0.0890 0.4241 0.100 Uiso 1 1 calc R . .
C106 C 0.7538(5) 0.0975(5) 0.4996(6) 0.070(4) Uani 1 1 d . . .
H10H H 0.7648 0.0785 0.4882 0.084 Uiso 1 1 calc R . .
C111 C 0.8540(4) 0.1253(5) 0.5682(6) 0.065(4) Uani 1 1 d . . .
C112 C 0.8664(5) 0.1505(5) 0.5158(6) 0.071(4) Uani 1 1 d . . .
H11A H 0.8452 0.1558 0.4968 0.086 Uiso 1 1 calc R . .
C113 C 0.9089(6) 0.1678(6) 0.4910(8) 0.101(6) Uani 1 1 d . . .
H11B H 0.9161 0.1839 0.4554 0.121 Uiso 1 1 calc R . .
C114 C 0.9403(7) 0.1609(8) 0.5199(11) 0.121(8) Uani 1 1 d . . .
H11C H 0.9691 0.1724 0.5037 0.145 Uiso 1 1 calc R . .
C115 C 0.9298(6) 0.1374(7) 0.5724(10) 0.106(6) Uani 1 1 d . . .
H11D H 0.9519 0.1341 0.5924 0.128 Uiso 1 1 calc R . .
C116 C 0.8859(5) 0.1181(6) 0.5960(8) 0.088(5) Uani 1 1 d . . .
H11E H 0.8783 0.1005 0.6303 0.106 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 0.0000 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'
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'
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
O8 Ru1 O1 94.0(4) . . ?
O8 Ru1 O3 172.4(4) . . ?
O1 Ru1 O3 93.5(3) . . ?
O8 Ru1 O5 87.4(5) . . ?
O1 Ru1 O5 92.3(3) . . ?
O3 Ru1 O5 91.3(4) . . ?
O8 Ru1 O6 92.2(4) . . ?
O1 Ru1 O6 93.6(3) . . ?
O3 Ru1 O6 88.3(4) . . ?
O5 Ru1 O6 174.0(4) . . ?
O8 Ru1 P1 91.2(3) . . ?
O1 Ru1 P1 174.8(2) . . ?
O3 Ru1 P1 81.3(3) . . ?
O5 Ru1 P1 88.3(3) . . ?
O6 Ru1 P1 85.7(3) . . ?
O1 Ru2 O4 94.4(3) . . ?
O1 Ru2 O12 93.8(4) . . ?
O4 Ru2 O12 171.8(4) . . ?
O1 Ru2 O10 94.4(4) . . ?
O4 Ru2 O10 87.9(5) . . ?
O12 Ru2 O10 91.3(5) . . ?
O1 Ru2 O2 96.4(3) . . ?
O4 Ru2 O2 90.6(4) . . ?
O12 Ru2 O2 88.7(4) . . ?
O10 Ru2 O2 169.2(4) . . ?
O1 Ru2 N1 178.1(4) . . ?
O4 Ru2 N1 85.2(4) . . ?
O12 Ru2 N1 86.7(4) . . ?
O10 Ru2 N1 83.7(4) . . ?
O2 Ru2 N1 85.5(4) . . ?
O1 Ru3 O7 94.5(4) . . ?
O1 Ru3 O9 95.0(4) . . ?
O7 Ru3 O9 93.1(5) . . ?
O1 Ru3 O13 94.9(4) . . ?
O7 Ru3 O13 85.6(5) . . ?
O9 Ru3 O13 170.0(4) . . ?
O1 Ru3 O11 94.2(4) . . ?
O7 Ru3 O11 171.1(4) . . ?
O9 Ru3 O11 87.9(5) . . ?
O13 Ru3 O11 91.8(5) . . ?
O1 Ru3 N2 179.7(5) . . ?
O7 Ru3 N2 85.8(5) . . ?
O9 Ru3 N2 85.0(5) . . ?
O13 Ru3 N2 85.1(5) . . ?
O11 Ru3 N2 85.5(5) . . ?
C101 P1 C13 104.7(6) . . ?
C101 P1 C111 105.8(6) . . ?
C13 P1 C111 102.9(6) . . ?
C101 P1 Ru1 113.1(4) . . ?
C13 P1 Ru1 108.2(4) . . ?
C111 P1 Ru1 120.6(5) . . ?
Ru3 O1 Ru2 121.6(4) . . ?
Ru3 O1 Ru1 118.9(4) . . ?
Ru2 O1 Ru1 119.5(4) . . ?
C1 O2 Ru2 134.1(8) . . ?
C1 O3 Ru1 132.2(8) . . ?
C3 O4 Ru2 131.4(8) . . ?
C3 O5 Ru1 134.9(8) . . ?
C5 O6 Ru1 133.2(9) . . ?
C5 O7 Ru3 132.6(8) . . ?
C7 O8 Ru1 131.0(10) . . ?
C7 O9 Ru3 134.5(10) . . ?
C9 O10 Ru2 132.8(10) . . ?
C9 O11 Ru3 129.5(10) . . ?
C11 O12 Ru2 131.2(10) . . ?
C11 O13 Ru3 132.5(9) . . ?
C25 N1 C21 119.6(14) . . ?
C25 N1 Ru2 120.4(10) . . ?
C21 N1 Ru2 119.5(11) . . ?
C35 N2 C31 117.5(18) . . ?
C35 N2 Ru3 123.7(14) . . ?
C31 N2 Ru3 118.8(14) . . ?
O2 C1 O3 125.9(11) . . ?
O2 C1 C2 118.0(11) . . ?
O3 C1 C2 116.1(11) . . ?
Cl1 C01 Cl2 120(3) . . ?
O4 C3 O5 126.6(12) . . ?
O4 C3 C4 116.4(11) . . ?
O5 C3 C4 117.0(12) . . ?
O6 C5 O7 126.0(12) . . ?
O6 C5 C6 116.8(13) . . ?
O7 C5 C6 117.2(12) . . ?
O9 C7 O8 126.9(14) . . ?
O9 C7 C8 118.1(16) . . ?
O8 C7 C8 114.9(17) . . ?
O10 C9 O11 128.7(14) . . ?
O10 C9 C10 114.7(16) . . ?
O11 C9 C10 116.6(16) . . ?
O12 C11 O13 126.2(13) . . ?
O12 C11 C12 115.8(14) . . ?
O13 C11 C12 118.0(13) . . ?
C13 C13 P1 123.8(14) 13_656 . ?
N1 C21 C22 119.7(19) . . ?
C23 C22 C21 121(2) . . ?
C22 C23 C24 119(2) . . ?
C23 C24 C25 116(2) . . ?
N1 C25 C24 124.3(18) . . ?
N2 C31 C32 121(2) . . ?
C33 C32 C31 109(3) . . ?
C34 C33 C32 131(4) . . ?
C33 C34 C35 114(3) . . ?
N2 C35 C34 127(3) . . ?
C106 C101 C102 116.7(13) . . ?
C106 C101 P1 121.0(11) . . ?
C102 C101 P1 122.3(10) . . ?
C103 C102 C101 120.0(15) . . ?
C102 C103 C104 120.4(16) . . ?
C105 C104 C103 120.5(16) . . ?
C104 C105 C106 118.9(15) . . ?
C105 C106 C101 123.5(15) . . ?
C116 C111 C112 118.0(13) . . ?
C116 C111 P1 118.1(12) . . ?
C112 C111 P1 123.6(11) . . ?
C113 C112 C111 122.4(16) . . ?
C114 C113 C112 118.5(18) . . ?
C113 C114 C115 120.8(18) . . ?
C114 C115 C116 120(2) . . ?
C111 C116 C115 119.8(18) . . ?
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 O8 2.027(9) . ?
Ru1 O1 2.035(8) . ?
Ru1 O3 2.035(8) . ?
Ru1 O5 2.037(8) . ?
Ru1 O6 2.053(8) . ?
Ru1 P1 2.365(3) . ?
Ru2 O1 1.895(8) . ?
Ru2 O4 2.026(9) . ?
Ru2 O12 2.042(9) . ?
Ru2 O10 2.049(10) . ?
Ru2 O2 2.060(9) . ?
Ru2 N1 2.148(11) . ?
Ru3 O1 1.889(7) . ?
Ru3 O7 2.016(10) . ?
Ru3 O9 2.040(11) . ?
Ru3 O13 2.041(11) . ?
Ru3 O11 2.043(11) . ?
Ru3 N2 2.133(13) . ?
Cl1 C01 1.55(4) . ?
Cl2 C01 1.68(4) . ?
P1 C101 1.801(14) . ?
P1 C13 1.825(12) . ?
P1 C111 1.826(13) . ?
O2 C1 1.236(14) . ?
O3 C1 1.267(14) . ?
O4 C3 1.244(15) . ?
O5 C3 1.250(14) . ?
O6 C5 1.237(15) . ?
O7 C5 1.269(16) . ?
O8 C7 1.255(18) . ?
O9 C7 1.241(19) . ?
O10 C9 1.204(18) . ?
O11 C9 1.225(18) . ?
O12 C11 1.244(16) . ?
O13 C11 1.249(17) . ?
N1 C25 1.291(19) . ?
N1 C21 1.326(18) . ?
N2 C35 1.26(3) . ?
N2 C31 1.30(3) . ?
C1 C2 1.476(17) . ?
C3 C4 1.495(17) . ?
C5 C6 1.503(17) . ?
C7 C8 1.49(2) . ?
C9 C10 1.53(2) . ?
C11 C12 1.500(19) . ?
C13 C13 1.33(2) 13_656 ?
C21 C22 1.39(3) . ?
C22 C23 1.34(3) . ?
C23 C24 1.39(3) . ?
C24 C25 1.39(2) . ?
C31 C32 1.52(3) . ?
C32 C33 1.33(4) . ?
C33 C34 1.24(4) . ?
C34 C35 1.34(3) . ?
C101 C106 1.391(17) . ?
C101 C102 1.395(19) . ?
C102 C103 1.38(2) . ?
C103 C104 1.40(2) . ?
C104 C105 1.33(2) . ?
C105 C106 1.37(2) . ?
C111 C116 1.38(2) . ?
C111 C112 1.393(19) . ?
C112 C113 1.38(2) . ?
C113 C114 1.37(3) . ?
C114 C115 1.37(3) . ?
C115 C116 1.40(2) . ?
