#------------------------------------------------------------------------------
#$Date: 2016-03-26 01:53:11 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180113 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/11/7101132.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_7101132
loop_
_publ_author_name
'Angel Kaifer'
'Tong Ren'
'David R. Sobransingh'
'Guo-Lin Xu'
'Jie-Wen Ying'
_publ_section_title
;
Sulfide-capped Wire-like Metallaynes As Connectors
for Au Nanoparticle Assemblies
;
_journal_issue                   3
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b412336k
_journal_year                    2005
_chemical_formula_sum            'C88 H108 N8 O4 Ru2 S2 Si2'
_chemical_formula_weight         1664.26
_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                106.950(2)
_cell_angle_beta                 104.661(2)
_cell_angle_gamma                107.477(2)
_cell_formula_units_Z            1
_cell_length_a                   12.9758(12)
_cell_length_b                   13.8400(12)
_cell_length_c                   14.2445(13)
_cell_measurement_reflns_used    2820
_cell_measurement_temperature    300(2)
_cell_measurement_theta_max      23.609
_cell_measurement_theta_min      2.477
_cell_volume                     2165.2(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      300(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_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           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0570
_diffrn_reflns_av_sigmaI/netI    0.1113
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11313
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    0.477
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.658487
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
SADABS, Absorption corrections using Bruker CCD based on the method of
Bob Blessing.  Acta Cryst. 1995, A51, 33
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.276
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             872
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.785
_refine_diff_density_min         -0.941
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     470
_refine_ls_number_reflns         7536
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.1047
_refine_ls_R_factor_gt           0.0603
_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)+(0.0480P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1194
_refine_ls_wR_factor_ref         0.1315
_reflns_number_gt                4690
_reflns_number_total             7536
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b412336k.txt
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7101132
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
Ru Ru 0.52345(4) 0.96132(4) -0.43378(3) 0.03911(15) Uani 1 1 d .
Si Si 1.0968(2) 0.3284(2) 0.4295(2) 0.1066(8) Uani 1 1 d .
S S 0.73189(19) 0.23091(18) 0.22140(17) 0.0997(7) Uani 1 1 d .
N1 N 0.4358(4) 1.0179(3) -0.3507(3) 0.0430(11) Uani 1 1 d .
N2 N 0.6667(4) 1.0910(3) -0.3310(3) 0.0449(11) Uani 1 1 d .
N3 N 0.6252(4) 0.9207(3) -0.5197(3) 0.0446(11) Uani 1 1 d .
N4 N 0.3614(3) 0.8364(3) -0.5425(3) 0.0414(10) Uani 1 1 d .
C1 C 0.5428(4) 0.8563(5) -0.3699(4) 0.0483(14) Uani 1 1 d .
C2 C 0.5561(5) 0.7985(5) -0.3229(4) 0.0498(14) Uani 1 1 d .
C3 C 0.5715(5) 0.7336(5) -0.2619(4) 0.0477(14) Uani 1 1 d .
C4 C 0.5532(5) 0.6234(5) -0.3098(4) 0.0548(15) Uani 1 1 d .
H4A H 0.5290 0.5903 -0.3830 0.066 Uiso 1 1 calc R
C5 C 0.5703(5) 0.5625(5) -0.2511(4) 0.0504(14) Uani 1 1 d .
C6 C 0.6059(5) 0.6107(5) -0.1416(4) 0.0507(15) Uani 1 1 d .
C7 C 0.6217(5) 0.7201(5) -0.0932(4) 0.0578(16) Uani 1 1 d .
H7A H 0.6444 0.7524 -0.0201 0.069 Uiso 1 1 calc R
C8 C 0.6044(5) 0.7807(5) -0.1514(4) 0.0559(15) Uani 1 1 d .
C9 C 0.5157(6) 0.3987(5) -0.4007(5) 0.084(2) Uani 1 1 d .
H9A H 0.5067 0.3235 -0.4175 0.127 Uiso 1 1 calc R
H9B H 0.5715 0.4341 -0.4262 0.127 Uiso 1 1 calc R
H9C H 0.4421 0.4001 -0.4338 0.127 Uiso 1 1 calc R
C10 C 0.6299(8) 0.9317(6) -0.0036(5) 0.103(3) Uani 1 1 d .
H10A H 0.6187 0.9993 0.0114 0.155 Uiso 1 1 calc R
H10B H 0.7068 0.9464 0.0407 0.155 Uiso 1 1 calc R
H10C H 0.5734 0.8801 0.0098 0.155 Uiso 1 1 calc R
C11 C 0.6241(5) 0.5465(5) -0.0804(4) 0.0564(16) Uani 1 1 d .
C12 C 0.6383(5) 0.4953(5) -0.0294(5) 0.0613(17) Uani 1 1 d .
C13 C 0.6581(5) 0.4293(5) 0.0299(4) 0.0537(15) Uani 1 1 d .
C14 C 0.6750(6) 0.3355(6) -0.0136(5) 0.076(2) Uani 1 1 d .
H14A H 0.6714 0.3131 -0.0830 0.091 Uiso 1 1 calc R
C15 C 0.6970(6) 0.2745(6) 0.0432(5) 0.080(2) Uani 1 1 d .
H15A H 0.7080 0.2112 0.0124 0.096 Uiso 1 1 calc R
C16 C 0.7027(5) 0.3072(6) 0.1456(5) 0.0625(18) Uani 1 1 d .
C17 C 0.6862(6) 0.3996(6) 0.1895(5) 0.0686(18) Uani 1 1 d .
H17A H 0.6904 0.4221 0.2591 0.082 Uiso 1 1 calc R
C18 C 0.6632(5) 0.4606(5) 0.1320(5) 0.0650(17) Uani 1 1 d .
H18A H 0.6511 0.5233 0.1628 0.078 Uiso 1 1 calc R
C19 C 0.8911(7) 0.3000(8) 0.2813(7) 0.125(3) Uani 1 1 d .
H19A H 0.9229 0.2800 0.2274 0.150 Uiso 1 1 calc R
H19B H 0.9142 0.3793 0.3079 0.150 Uiso 1 1 calc R
C20 C 0.9401(7) 0.2706(8) 0.3680(7) 0.119(3) Uani 1 1 d .
H20A H 0.9122 0.1907 0.3413 0.143 Uiso 1 1 calc R
H20B H 0.9095 0.2933 0.4222 0.143 Uiso 1 1 calc R
C21 C 1.1559(10) 0.2583(12) 0.3383(8) 0.199(6) Uani 1 1 d .
H21A H 1.1578 0.2887 0.2858 0.299 Uiso 1 1 calc R
H21B H 1.1071 0.1807 0.3041 0.299 Uiso 1 1 calc R
H21C H 1.2334 0.2692 0.3776 0.299 Uiso 1 1 calc R
C22 C 1.1667(11) 0.4734(9) 0.4632(10) 0.221(7) Uani 1 1 d .
H22A H 1.1910 0.4846 0.4075 0.331 Uiso 1 1 calc R
H22B H 1.2335 0.5061 0.5279 0.331 Uiso 1 1 calc R
H22C H 1.1132 0.5071 0.4722 0.331 Uiso 1 1 calc R
C23 C 1.1303(9) 0.2993(9) 0.5518(7) 0.147(4) Uani 1 1 d .
H23A H 1.1059 0.3412 0.6016 0.221 Uiso 1 1 calc R
H23B H 1.2126 0.3199 0.5829 0.221 Uiso 1 1 calc R
H23C H 1.0895 0.2220 0.5336 0.221 Uiso 1 1 calc R
C24 C 0.3713(4) 1.0642(4) -0.3938(4) 0.0417(13) Uani 1 1 d .
C25 C 0.2959(6) 1.0993(5) -0.3386(5) 0.0549(15) Uani 1 1 d .
C26 C 0.1844(6) 1.0284(6) -0.3652(6) 0.086(2) Uani 1 1 d .
H26A H 0.1532 0.9596 -0.4209 0.103 Uiso 1 1 calc R
C27 C 0.1165(10) 1.0580(11) -0.3095(11) 0.147(5) Uani 1 1 d .
H27A H 0.0416 1.0082 -0.3257 0.176 Uiso 1 1 calc R
C28 C 0.1595(16) 1.1560(14) -0.2349(13) 0.171(8) Uani 1 1 d .
H28A H 0.1123 1.1756 -0.2003 0.205 Uiso 1 1 calc R
C29 C 0.2710(13) 1.2326(10) -0.2042(7) 0.142(5) Uani 1 1 d .
H29A H 0.2996 1.3013 -0.1489 0.171 Uiso 1 1 calc R
C30 C 0.3404(8) 1.2030(6) -0.2596(5) 0.084(2) Uani 1 1 d .
H30A H 0.4154 1.2530 -0.2428 0.101 Uiso 1 1 calc R
C31 C 0.4426(6) 1.0146(5) -0.2475(4) 0.0628(17) Uani 1 1 d .
H31A H 0.3654 0.9862 -0.2475 0.094 Uiso 1 1 calc R
H31B H 0.4861 1.0878 -0.1933 0.094 Uiso 1 1 calc R
H31C H 0.4807 0.9676 -0.2342 0.094 Uiso 1 1 calc R
C32 C 0.7006(4) 1.1733(4) -0.3621(4) 0.0411(13) Uani 1 1 d .
C33 C 0.8066(5) 1.2752(5) -0.2885(4) 0.0504(14) Uani 1 1 d .
C34 C 0.7925(6) 1.3661(6) -0.2338(5) 0.0687(18) Uani 1 1 d .
H34A H 0.7180 1.3640 -0.2445 0.082 Uiso 1 1 calc R
C35 C 0.8887(9) 1.4614(6) -0.1624(6) 0.102(3) Uani 1 1 d .
H35A H 0.8782 1.5223 -0.1241 0.122 Uiso 1 1 calc R
C36 C 0.9977(9) 1.4667(8) -0.1478(7) 0.113(3) Uani 1 1 d .
H36A H 1.0617 1.5310 -0.0995 0.136 Uiso 1 1 calc R
C37 C 1.0135(7) 1.3778(9) -0.2040(7) 0.106(3) Uani 1 1 d .
H37A H 1.0883 1.3816 -0.1955 0.127 Uiso 1 1 calc R
C38 C 0.9182(6) 1.2823(6) -0.2732(5) 0.077(2) Uani 1 1 d .
H38A H 0.9292 1.2213 -0.3105 0.093 Uiso 1 1 calc R
C39 C 0.7293(5) 1.1046(5) -0.2236(4) 0.0699(19) Uani 1 1 d .
H39A H 0.7536 1.1794 -0.1754 0.105 Uiso 1 1 calc R
H39B H 0.7964 1.0882 -0.2217 0.105 Uiso 1 1 calc R
H39C H 0.6788 1.0552 -0.2033 0.105 Uiso 1 1 calc R
C40 C 0.7179(5) 0.8926(5) -0.4658(5) 0.0660(18) Uani 1 1 d .
H40A H 0.7233 0.8327 -0.5162 0.099 Uiso 1 1 calc R
H40B H 0.7000 0.8712 -0.4116 0.099 Uiso 1 1 calc R
H40C H 0.7909 0.9558 -0.4345 0.099 Uiso 1 1 calc R
C41 C 0.3016(5) 0.7562(5) -0.5038(5) 0.0613(17) Uani 1 1 d .
H41A H 0.2191 0.7356 -0.5330 0.092 Uiso 1 1 calc R
H41B H 0.3290 0.7893 -0.4280 0.092 Uiso 1 1 calc R
H41C H 0.3179 0.6917 -0.5254 0.092 Uiso 1 1 calc R
O1 O 0.5541(4) 0.4541(3) -0.2920(3) 0.0787(14) Uani 1 1 d .
O2 O 0.6163(4) 0.8871(3) -0.1102(3) 0.0809(14) Uani 1 1 d .
C42 C 1.0262(13) 0.2244(12) 0.0141(12) 0.200 Uiso 0.827(9) 1 d PD
H42A H 0.9712 0.2579 0.0126 0.300 Uiso 0.827(9) 1 calc PR
H42B H 1.0509 0.2229 -0.0442 0.300 Uiso 0.827(9) 1 calc PR
H42C H 1.0924 0.2665 0.0794 0.300 Uiso 0.827(9) 1 calc PR
C43 C 0.9705(14) 0.1099(13) 0.0055(13) 0.200 Uiso 0.827(9) 1 d PD
H43A H 0.9433 0.1116 0.0632 0.240 Uiso 0.827(9) 1 calc PR
H43B H 0.9035 0.0678 -0.0604 0.240 Uiso 0.827(9) 1 calc PR
C44 C 1.0448(14) 0.0597(11) 0.0086(13) 0.200 Uiso 0.827(9) 1 d PD
H44A H 1.1094 0.0946 0.0763 0.240 Uiso 0.827(9) 1 calc PR
H44B H 1.0741 0.0558 -0.0480 0.240 Uiso 0.827(9) 1 calc PR
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'
Si Si 0.0817 0.0704 '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'
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
C1 Ru N2 97.5(2) . .
C1 Ru N1 96.17(18) . .
N2 Ru N1 88.40(17) . .
C1 Ru N4 87.59(19) . .
N2 Ru N4 173.25(18) . .
N1 Ru N4 86.66(16) . .
C1 Ru N3 89.21(18) . .
N2 Ru N3 86.94(17) . .
N1 Ru N3 173.30(16) . .
N4 Ru N3 97.58(16) . .
C1 Ru Ru 161.38(17) . 2_674
N2 Ru Ru 97.08(12) . 2_674
N1 Ru Ru 95.73(11) . 2_674
N4 Ru Ru 78.86(11) . 2_674
N3 Ru Ru 80.09(11) . 2_674
C22 Si C20 114.8(5) . .
C22 Si C21 107.0(6) . .
C20 Si C21 109.2(5) . .
C22 Si C23 110.0(5) . .
C20 Si C23 106.0(4) . .
C21 Si C23 109.7(5) . .
C16 S C19 99.9(3) . .
C24 N1 C31 120.5(4) . .
C24 N1 Ru 115.3(3) . .
C31 N1 Ru 124.2(3) . .
C32 N2 C39 119.8(4) . .
C32 N2 Ru 115.4(3) . .
C39 N2 Ru 124.6(3) . .
C24 N3 C40 116.4(4) 2_674 .
C24 N3 Ru 127.1(4) 2_674 .
C40 N3 Ru 115.3(3) . .
C32 N4 C41 115.3(4) 2_674 .
C32 N4 Ru 128.3(3) 2_674 .
C41 N4 Ru 115.9(3) . .
C2 C1 Ru 174.6(5) . .
C1 C2 C3 176.9(6) . .
C4 C3 C8 118.2(5) . .
C4 C3 C2 121.6(5) . .
C8 C3 C2 120.1(5) . .
C5 C4 C3 121.4(5) . .
O1 C5 C4 124.9(5) . .
O1 C5 C6 115.2(5) . .
C4 C5 C6 119.9(6) . .
C5 C6 C7 119.1(5) . .
C5 C6 C11 119.6(6) . .
C7 C6 C11 121.2(5) . .
C8 C7 C6 121.1(5) . .
O2 C8 C7 124.5(5) . .
O2 C8 C3 115.3(5) . .
C7 C8 C3 120.2(6) . .
C12 C11 C6 178.9(7) . .
C11 C12 C13 177.1(7) . .
C18 C13 C14 118.4(5) . .
C18 C13 C12 120.5(6) . .
C14 C13 C12 121.0(5) . .
C15 C14 C13 121.3(6) . .
C14 C15 C16 119.7(7) . .
C17 C16 C15 119.6(6) . .
C17 C16 S 119.5(5) . .
C15 C16 S 120.9(6) . .
C16 C17 C18 120.6(6) . .
C13 C18 C17 120.3(6) . .
C20 C19 S 112.4(6) . .
C19 C20 Si 116.6(6) . .
N3 C24 N1 121.2(5) 2_674 .
N3 C24 C25 121.7(5) 2_674 .
N1 C24 C25 117.1(4) . .
C26 C25 C30 119.8(6) . .
C26 C25 C24 120.4(6) . .
C30 C25 C24 119.8(6) . .
C25 C26 C27 120.6(9) . .
C28 C27 C26 119.1(12) . .
C27 C28 C29 123.6(13) . .
C28 C29 C30 117.6(11) . .
C25 C30 C29 119.3(9) . .
N2 C32 N4 119.7(5) . 2_674
N2 C32 C33 119.0(5) . .
N4 C32 C33 121.4(4) 2_674 .
C34 C33 C38 118.3(6) . .
C34 C33 C32 118.5(5) . .
C38 C33 C32 123.2(6) . .
C33 C34 C35 120.3(7) . .
C36 C35 C34 120.6(8) . .
C35 C36 C37 119.9(8) . .
C36 C37 C38 119.5(8) . .
C37 C38 C33 121.2(7) . .
C5 O1 C9 119.1(4) . .
C8 O2 C10 117.4(5) . .
C44 C43 C42 111.8(14) . .
C43 C44 C44 97.9(15) . 2_755
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru C1 1.968(5) .
Ru N2 1.977(4) .
Ru N1 1.996(4) .
Ru N4 2.101(4) .
Ru N3 2.103(4) .
Ru Ru 2.4626(8) 2_674
Si C22 1.790(11) .
Si C20 1.803(8) .
Si C21 1.854(10) .
Si C23 1.875(9) .
S C16 1.768(6) .
S C19 1.832(9) .
N1 C24 1.333(6) .
N1 C31 1.465(6) .
N2 C32 1.334(6) .
N2 C39 1.464(6) .
N3 C24 1.317(6) 2_674
N3 C40 1.475(6) .
N4 C32 1.338(6) 2_674
N4 C41 1.481(6) .
C1 C2 1.207(7) .
C2 C3 1.440(7) .
C3 C4 1.394(7) .
C3 C8 1.407(7) .
C4 C5 1.374(7) .
C5 O1 1.369(6) .
C5 C6 1.390(7) .
C6 C7 1.394(8) .
C6 C11 1.442(7) .
C7 C8 1.365(7) .
C8 O2 1.360(6) .
C9 O1 1.386(6) .
C10 O2 1.403(7) .
C11 C12 1.172(7) .
C12 C13 1.449(8) .
C13 C18 1.368(7) .
C13 C14 1.373(8) .
C14 C15 1.370(8) .
C15 C16 1.370(8) .
C16 C17 1.355(9) .
C17 C18 1.380(8) .
C19 C20 1.466(9) .
C24 N3 1.317(6) 2_674
C24 C25 1.505(7) .
C25 C26 1.361(8) .
C25 C30 1.375(8) .
C26 C27 1.398(10) .
C27 C28 1.298(17) .
C28 C29 1.377(17) .
C29 C30 1.412(12) .
C32 N4 1.338(6) 2_674
C32 C33 1.491(7) .
C33 C34 1.364(8) .
C33 C38 1.377(8) .
C34 C35 1.386(9) .
C35 C36 1.352(11) .
C36 C37 1.364(12) .
C37 C38 1.375(9) .
C42 C43 1.484(13) .
C43 C44 1.347(14) .
C44 C44 1.61(3) 2_755
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
C1 Ru N1 C24 -158.1(4) . .
N2 Ru N1 C24 104.5(4) . .
N4 Ru N1 C24 -70.9(4) . .
N3 Ru N1 C24 58.6(16) . .
Ru Ru N1 C24 7.5(4) 2_674 .
C1 Ru N1 C31 24.2(4) . .
N2 Ru N1 C31 -73.2(4) . .
N4 Ru N1 C31 111.4(4) . .
N3 Ru N1 C31 -119.1(14) . .
Ru Ru N1 C31 -170.1(4) 2_674 .
C1 Ru N2 C32 163.7(4) . .
N1 Ru N2 C32 -100.3(4) . .
N4 Ru N2 C32 -57.4(15) . .
N3 Ru N2 C32 74.9(4) . .
Ru Ru N2 C32 -4.7(4) 2_674 .
C1 Ru N2 C39 -21.6(5) . .
N1 Ru N2 C39 74.5(5) . .
N4 Ru N2 C39 117.4(13) . .
N3 Ru N2 C39 -110.4(5) . .
Ru Ru N2 C39 170.0(4) 2_674 .
C1 Ru N3 C24 159.8(5) . 2_674
N2 Ru N3 C24 -102.6(4) . 2_674
N1 Ru N3 C24 -56.6(16) . 2_674
N4 Ru N3 C24 72.4(4) . 2_674
Ru Ru N3 C24 -4.8(4) 2_674 2_674
C1 Ru N3 C40 -32.9(4) . .
N2 Ru N3 C40 64.7(4) . .
N1 Ru N3 C40 110.7(14) . .
N4 Ru N3 C40 -120.3(4) . .
Ru Ru N3 C40 162.5(4) 2_674 .
C1 Ru N4 C32 -158.6(5) . 2_674
N2 Ru N4 C32 62.1(15) . 2_674
N1 Ru N4 C32 105.1(4) . 2_674
N3 Ru N4 C32 -69.7(4) . 2_674
Ru Ru N4 C32 8.6(4) 2_674 2_674
C1 Ru N4 C41 29.4(4) . .
N2 Ru N4 C41 -109.9(13) . .
N1 Ru N4 C41 -66.9(4) . .
N3 Ru N4 C41 118.3(4) . .
Ru Ru N4 C41 -163.4(4) 2_674 .
N2 Ru C1 C2 50(5) . .
N1 Ru C1 C2 -39(5) . .
N4 Ru C1 C2 -125(5) . .
N3 Ru C1 C2 137(5) . .
Ru Ru C1 C2 -168(5) 2_674 .
Ru C1 C2 C3 12(16) . .
C1 C2 C3 C4 161(11) . .
C1 C2 C3 C8 -18(12) . .
C8 C3 C4 C5 -2.1(9) . .
C2 C3 C4 C5 178.7(5) . .
C3 C4 C5 O1 179.9(6) . .
C3 C4 C5 C6 0.4(9) . .
O1 C5 C6 C7 -178.4(5) . .
C4 C5 C6 C7 1.1(9) . .
O1 C5 C6 C11 0.7(8) . .
C4 C5 C6 C11 -179.8(5) . .
C5 C6 C7 C8 -0.9(9) . .
C11 C6 C7 C8 -180.0(6) . .
C6 C7 C8 O2 178.9(6) . .
C6 C7 C8 C3 -0.9(9) . .
C4 C3 C8 O2 -177.5(5) . .
C2 C3 C8 O2 1.7(8) . .
C4 C3 C8 C7 2.4(9) . .
C2 C3 C8 C7 -178.5(5) . .
C5 C6 C11 C12 -147(40) . .
C7 C6 C11 C12 32(40) . .
C6 C11 C12 C13 -176(100) . .
C11 C12 C13 C18 162(14) . .
C11 C12 C13 C14 -17(15) . .
C18 C13 C14 C15 -0.3(10) . .
C12 C13 C14 C15 178.1(6) . .
C13 C14 C15 C16 -0.2(11) . .
C14 C15 C16 C17 0.2(10) . .
C14 C15 C16 S -179.6(5) . .
C19 S C16 C17 -89.5(6) . .
C19 S C16 C15 90.2(6) . .
C15 C16 C17 C18 0.3(10) . .
S C16 C17 C18 -179.9(5) . .
C14 C13 C18 C17 0.8(9) . .
C12 C13 C18 C17 -177.7(6) . .
C16 C17 C18 C13 -0.8(10) . .
C16 S C19 C20 167.1(7) . .
S C19 C20 Si 177.2(5) . .
C22 Si C20 C19 47.4(10) . .
C21 Si C20 C19 -72.7(9) . .
C23 Si C20 C19 169.1(8) . .
C31 N1 C24 N3 172.1(5) . 2_674
Ru N1 C24 N3 -5.7(6) . 2_674
C31 N1 C24 C25 -7.3(7) . .
Ru N1 C24 C25 175.0(4) . .
N3 C24 C25 C26 90.0(7) 2_674 .
N1 C24 C25 C26 -90.7(7) . .
N3 C24 C25 C30 -91.2(7) 2_674 .
N1 C24 C25 C30 88.1(6) . .
C30 C25 C26 C27 -3.0(10) . .
C24 C25 C26 C27 175.8(7) . .
C25 C26 C27 C28 2.9(15) . .
C26 C27 C28 C29 -2(2) . .
C27 C28 C29 C30 1.9(19) . .
C26 C25 C30 C29 2.5(9) . .
C24 C25 C30 C29 -176.2(6) . .
C28 C29 C30 C25 -1.9(13) . .
C39 N2 C32 N4 -175.4(5) . 2_674
Ru N2 C32 N4 -0.4(6) . 2_674
C39 N2 C32 C33 3.8(7) . .
Ru N2 C32 C33 178.8(4) . .
N2 C32 C33 C34 -101.5(6) . .
N4 C32 C33 C34 77.6(7) 2_674 .
N2 C32 C33 C38 78.6(7) . .
N4 C32 C33 C38 -102.2(7) 2_674 .
C38 C33 C34 C35 -2.0(9) . .
C32 C33 C34 C35 178.1(6) . .
C33 C34 C35 C36 1.7(11) . .
C34 C35 C36 C37 0.2(14) . .
C35 C36 C37 C38 -1.6(14) . .
C36 C37 C38 C33 1.2(12) . .
C34 C33 C38 C37 0.6(10) . .
C32 C33 C38 C37 -179.5(6) . .
C4 C5 O1 C9 -1.3(9) . .
C6 C5 O1 C9 178.3(6) . .
C7 C8 O2 C10 -10.1(10) . .
C3 C8 O2 C10 169.7(6) . .
C42 C43 C44 C44 -177.1(14) . 2_755
