#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:09:53 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178494 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/05/4060555.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_4060555
loop_
_publ_author_name
'Xu, Guo-Lin'
'Ren, Tong'
_publ_section_title
;
Covalent Modification of Diruthenium Metallaynes:
A Novel Application of “Click” Reaction in Organometallic 
Chemistry
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2564
_journal_page_last               2566
_journal_paper_doi               10.1021/om0501632
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C93 H87 N14 O6 Ru2 Si'
_chemical_formula_weight         1727.00
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 98.7520(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.9842(7)
_cell_length_b                   20.0256(6)
_cell_length_c                   19.5247(6)
_cell_measurement_reflns_used    4275
_cell_measurement_temperature    300(2)
_cell_measurement_theta_max      19.423
_cell_measurement_theta_min      2.188
_cell_volume                     8882.0(5)
_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 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.1132
_diffrn_reflns_av_sigmaI/netI    0.1525
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            46580
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.47
_exptl_absorpt_coefficient_mu    0.414
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.799033
_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            purple
_exptl_crystal_density_diffrn    1.291
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3572
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.620
_refine_diff_density_min         -0.435
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     995
_refine_ls_number_reflns         15614
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.1689
_refine_ls_R_factor_gt           0.0577
_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)+(0.0325P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0924
_refine_ls_wR_factor_ref         0.1162
_reflns_number_gt                6848
_reflns_number_total             15614
_reflns_threshold_expression     >2sigma(I)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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      'P 21/c'
_cod_database_code               4060555
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Si1 Si 0.45651(13) -0.13371(14) 0.21728(15) 0.1249(10) Uani 1 1 d . . .
Ru1 Ru 0.20051(2) 0.27141(2) 0.13316(3) 0.04605(15) Uani 1 1 d . . .
Ru2 Ru 0.26600(2) 0.17304(2) 0.13298(2) 0.04577(15) Uani 1 1 d . . .
N1 N 0.2790(2) 0.1805(2) 0.2391(2) 0.0460(13) Uani 1 1 d . . .
N2 N 0.2044(2) 0.2600(2) 0.2373(2) 0.0474(13) Uani 1 1 d . . .
N3 N 0.3327(2) 0.2391(3) 0.1280(3) 0.0546(14) Uani 1 1 d . . .
N4 N 0.2727(2) 0.3286(3) 0.1487(2) 0.0528(13) Uani 1 1 d . . .
N5 N 0.2471(2) 0.1746(3) 0.0272(2) 0.0494(13) Uani 1 1 d . . .
N6 N 0.20033(19) 0.2777(2) 0.0293(2) 0.0495(13) Uani 1 1 d . . .
N7 N 0.1924(2) 0.1154(2) 0.1358(2) 0.0469(13) Uani 1 1 d . . .
N8 N 0.1311(2) 0.2085(2) 0.1168(2) 0.0477(13) Uani 1 1 d . . .
N9 N 0.2225(3) -0.2057(4) 0.1742(4) 0.113(3) Uani 1 1 d . . .
N10 N 0.2189(4) -0.2650(4) 0.2030(5) 0.121(3) Uani 1 1 d . . .
N11 N 0.1908(3) -0.2567(3) 0.2562(4) 0.096(2) Uani 1 1 d . . .
N12 N -0.1254(3) 0.3480(3) 0.0793(3) 0.0720(17) Uani 1 1 d . . .
N13 N -0.1823(3) 0.3574(3) 0.0560(4) 0.0833(19) Uani 1 1 d . . .
N14 N -0.1968(2) 0.3142(3) 0.0043(3) 0.0756(17) Uani 1 1 d . . .
C1 C 0.3196(3) 0.0922(3) 0.1370(3) 0.0537(17) Uani 1 1 d . . .
C2 C 0.3501(3) 0.0429(3) 0.1459(3) 0.0590(19) Uani 1 1 d . . .
C3 C 0.3833(3) -0.0143(4) 0.1627(4) 0.073(2) Uani 1 1 d . . .
C4 C 0.4130(3) -0.0634(4) 0.1806(4) 0.095(3) Uani 1 1 d . . .
C5 C 0.5038(5) -0.1612(5) 0.1564(5) 0.213(6) Uani 1 1 d . . .
H5A H 0.5296 -0.1254 0.1479 0.319 Uiso 1 1 calc R . .
H5B H 0.4801 -0.1740 0.1136 0.319 Uiso 1 1 calc R . .
H5C H 0.5268 -0.1987 0.1754 0.319 Uiso 1 1 calc R . .
C6 C 0.5017(4) -0.1077(5) 0.2987(5) 0.207(5) Uani 1 1 d . . .
H6A H 0.5275 -0.0723 0.2895 0.311 Uiso 1 1 calc R . .
H6B H 0.5246 -0.1450 0.3186 0.311 Uiso 1 1 calc R . .
H6C H 0.4766 -0.0924 0.3304 0.311 Uiso 1 1 calc R . .
C7 C 0.4062(5) -0.2028(5) 0.2342(6) 0.195(5) Uani 1 1 d . . .
H7A H 0.3832 -0.2166 0.1914 0.293 Uiso 1 1 calc R . .
H7B H 0.3804 -0.1875 0.2653 0.293 Uiso 1 1 calc R . .
H7C H 0.4290 -0.2399 0.2547 0.293 Uiso 1 1 calc R . .
C8 C 0.2453(3) 0.2186(3) 0.2698(3) 0.0495(16) Uani 1 1 d . . .
H8A H 0.2498 0.2170 0.3179 0.059 Uiso 1 1 calc R . .
C9 C 0.3270(3) 0.1488(3) 0.2842(3) 0.0526(17) Uani 1 1 d . . .
C10 C 0.3748(3) 0.1858(3) 0.3121(3) 0.077(2) Uani 1 1 d . . .
H10B H 0.3752 0.2318 0.3058 0.093 Uiso 1 1 calc R . .
C11 C 0.4222(3) 0.1540(5) 0.3497(4) 0.103(3) Uani 1 1 d . . .
H11A H 0.4555 0.1784 0.3675 0.123 Uiso 1 1 calc R . .
C12 C 0.4208(4) 0.0870(5) 0.3611(4) 0.099(3) Uani 1 1 d . . .
H12B H 0.4531 0.0659 0.3866 0.119 Uiso 1 1 calc R . .
C13 C 0.3717(4) 0.0506(4) 0.3351(4) 0.077(2) Uani 1 1 d . . .
C14 C 0.3243(3) 0.0813(3) 0.2965(3) 0.0616(18) Uani 1 1 d . . .
H14A H 0.2910 0.0569 0.2790 0.074 Uiso 1 1 calc R . .
C15 C 0.3254(4) -0.0557(4) 0.3266(5) 0.129(3) Uani 1 1 d . . .
H15A H 0.3336 -0.1011 0.3409 0.193 Uiso 1 1 calc R . .
H15B H 0.3169 -0.0537 0.2769 0.193 Uiso 1 1 calc R . .
H15C H 0.2921 -0.0397 0.3460 0.193 Uiso 1 1 calc R . .
C16 C 0.1632(3) 0.2867(3) 0.2760(3) 0.0480(16) Uani 1 1 d . . .
C17 C 0.1349(3) 0.2477(3) 0.3180(3) 0.0576(18) Uani 1 1 d . . .
H17A H 0.1449 0.2029 0.3241 0.069 Uiso 1 1 calc R . .
C18 C 0.0915(3) 0.2742(4) 0.3513(3) 0.0686(19) Uani 1 1 d . . .
H18A H 0.0741 0.2476 0.3815 0.082 Uiso 1 1 calc R . .
C19 C 0.0738(3) 0.3383(4) 0.3410(3) 0.069(2) Uani 1 1 d . . .
H19A H 0.0432 0.3551 0.3621 0.083 Uiso 1 1 calc R . .
C20 C 0.1016(3) 0.3782(3) 0.2987(3) 0.0580(18) Uani 1 1 d . . .
C21 C 0.1463(3) 0.3535(3) 0.2661(3) 0.0536(17) Uani 1 1 d . . .
H21A H 0.1650 0.3810 0.2378 0.064 Uiso 1 1 calc R . .
C22 C 0.1031(3) 0.4832(3) 0.2406(4) 0.100(3) Uani 1 1 d . . .
H22A H 0.0855 0.5266 0.2405 0.151 Uiso 1 1 calc R . .
H22B H 0.0932 0.4633 0.1956 0.151 Uiso 1 1 calc R . .
H22C H 0.1451 0.4872 0.2517 0.151 Uiso 1 1 calc R . .
C23 C 0.3249(3) 0.3030(4) 0.1397(3) 0.0568(19) Uani 1 1 d . . .
H23A H 0.3570 0.3316 0.1419 0.068 Uiso 1 1 calc R . .
C24 C 0.3878(3) 0.2246(3) 0.1043(4) 0.0585(18) Uani 1 1 d . . .
C25 C 0.3972(3) 0.2510(4) 0.0418(4) 0.086(2) Uani 1 1 d . . .
H25A H 0.3691 0.2782 0.0162 0.104 Uiso 1 1 calc R . .
C26 C 0.4495(4) 0.2361(4) 0.0177(4) 0.112(3) Uani 1 1 d . . .
H26A H 0.4570 0.2543 -0.0239 0.134 Uiso 1 1 calc R . .
C27 C 0.4896(4) 0.1952(5) 0.0541(5) 0.115(3) Uani 1 1 d . . .
H27A H 0.5239 0.1845 0.0368 0.138 Uiso 1 1 calc R . .
C28 C 0.4800(4) 0.1692(4) 0.1166(5) 0.087(2) Uani 1 1 d . . .
C29 C 0.4288(3) 0.1838(3) 0.1418(4) 0.071(2) Uani 1 1 d . . .
H29A H 0.4220 0.1661 0.1839 0.085 Uiso 1 1 calc R . .
C30 C 0.5142(3) 0.0983(5) 0.2089(5) 0.144(4) Uani 1 1 d . . .
H30A H 0.5483 0.0723 0.2269 0.217 Uiso 1 1 calc R . .
H30B H 0.4805 0.0696 0.1999 0.217 Uiso 1 1 calc R . .
H30C H 0.5076 0.1316 0.2423 0.217 Uiso 1 1 calc R . .
C31 C 0.2739(3) 0.3963(4) 0.1738(3) 0.0583(18) Uani 1 1 d . . .
C32 C 0.3155(3) 0.4150(4) 0.2296(4) 0.085(2) Uani 1 1 d . . .
H32A H 0.3424 0.3842 0.2515 0.102 Uiso 1 1 calc R . .
C33 C 0.3159(4) 0.4826(5) 0.2525(5) 0.106(3) Uani 1 1 d . . .
H33A H 0.3435 0.4964 0.2896 0.127 Uiso 1 1 calc R . .
C34 C 0.2757(4) 0.5274(5) 0.2200(5) 0.101(3) Uani 1 1 d . . .
H34A H 0.2763 0.5715 0.2348 0.121 Uiso 1 1 calc R . .
C35 C 0.2350(4) 0.5072(4) 0.1660(5) 0.080(2) Uani 1 1 d . . .
C36 C 0.2341(3) 0.4416(4) 0.1424(3) 0.067(2) Uani 1 1 d . . .
H36A H 0.2064 0.4287 0.1050 0.081 Uiso 1 1 calc R . .
C37 C 0.1558(4) 0.5411(4) 0.0799(5) 0.128(3) Uani 1 1 d . . .
H37A H 0.1323 0.5799 0.0665 0.192 Uiso 1 1 calc R . .
H37B H 0.1308 0.5055 0.0910 0.192 Uiso 1 1 calc R . .
H37C H 0.1757 0.5276 0.0424 0.192 Uiso 1 1 calc R . .
C38 C 0.2205(2) 0.2272(3) -0.0037(3) 0.0536(16) Uani 1 1 d . . .
H38A H 0.2155 0.2289 -0.0518 0.064 Uiso 1 1 calc R . .
C39 C 0.2542(3) 0.1180(3) -0.0160(3) 0.0540(17) Uani 1 1 d . . .
C40 C 0.2048(3) 0.0870(4) -0.0488(3) 0.069(2) Uani 1 1 d . . .
H40A H 0.1678 0.1042 -0.0453 0.083 Uiso 1 1 calc R . .
C41 C 0.2100(4) 0.0296(4) -0.0877(4) 0.085(2) Uani 1 1 d . . .
H41A H 0.1766 0.0084 -0.1106 0.102 Uiso 1 1 calc R . .
C42 C 0.2648(4) 0.0045(4) -0.0917(4) 0.085(2) Uani 1 1 d . . .
H42A H 0.2687 -0.0347 -0.1161 0.103 Uiso 1 1 calc R . .
C43 C 0.3143(4) 0.0375(4) -0.0596(4) 0.075(2) Uani 1 1 d . . .
C44 C 0.3088(3) 0.0933(3) -0.0211(3) 0.0622(19) Uani 1 1 d . . .
H44A H 0.3422 0.1146 0.0017 0.075 Uiso 1 1 calc R . .
C45 C 0.4179(3) 0.0331(4) -0.0278(5) 0.134(4) Uani 1 1 d . . .
H45A H 0.4512 0.0084 -0.0383 0.201 Uiso 1 1 calc R . .
H45B H 0.4152 0.0284 0.0205 0.201 Uiso 1 1 calc R . .
H45C H 0.4227 0.0795 -0.0383 0.201 Uiso 1 1 calc R . .
C46 C 0.1838(3) 0.3360(3) -0.0104(3) 0.0503(16) Uani 1 1 d . . .
C47 C 0.2222(3) 0.3659(3) -0.0489(3) 0.0663(19) Uani 1 1 d . . .
H47A H 0.2591 0.3473 -0.0504 0.080 Uiso 1 1 calc R . .
C48 C 0.2055(4) 0.4232(4) -0.0850(4) 0.083(2) Uani 1 1 d . . .
H48A H 0.2321 0.4439 -0.1096 0.100 Uiso 1 1 calc R . .
C49 C 0.1512(4) 0.4508(3) -0.0858(4) 0.082(2) Uani 1 1 d . . .
H49A H 0.1403 0.4890 -0.1118 0.098 Uiso 1 1 calc R . .
C50 C 0.1128(3) 0.4215(3) -0.0476(4) 0.068(2) Uani 1 1 d . . .
C51 C 0.1286(3) 0.3640(3) -0.0096(3) 0.0616(18) Uani 1 1 d . . .
H51A H 0.1024 0.3443 0.0163 0.074 Uiso 1 1 calc R . .
C52 C 0.0375(4) 0.5043(4) -0.0807(4) 0.137(4) Uani 1 1 d . . .
H52A H -0.0017 0.5148 -0.0730 0.205 Uiso 1 1 calc R . .
H52B H 0.0376 0.4970 -0.1293 0.205 Uiso 1 1 calc R . .
H52C H 0.0633 0.5406 -0.0651 0.205 Uiso 1 1 calc R . .
C53 C 0.1397(3) 0.1420(3) 0.1236(3) 0.0508(17) Uani 1 1 d . . .
H53A H 0.1070 0.1141 0.1194 0.061 Uiso 1 1 calc R . .
C54 C 0.1933(2) 0.0458(3) 0.1540(3) 0.0467(16) Uani 1 1 d . . .
C55 C 0.1706(3) 0.0249(3) 0.2122(3) 0.0628(18) Uani 1 1 d . . .
H55A H 0.1541 0.0560 0.2390 0.075 Uiso 1 1 calc R . .
C56 C 0.1723(3) -0.0414(3) 0.2308(3) 0.070(2) Uani 1 1 d . . .
H56A H 0.1576 -0.0546 0.2705 0.084 Uiso 1 1 calc R . .
C57 C 0.1951(3) -0.0884(3) 0.1914(4) 0.0590(18) Uani 1 1 d . . .
C58 C 0.2167(3) -0.0672(3) 0.1325(3) 0.0619(18) Uani 1 1 d . . .
H58A H 0.2322 -0.0984 0.1051 0.074 Uiso 1 1 calc R . .
C59 C 0.2155(3) -0.0018(3) 0.1142(3) 0.0580(18) Uani 1 1 d . . .
H59A H 0.2298 0.0110 0.0742 0.070 Uiso 1 1 calc R . .
C60 C 0.1971(3) -0.1598(3) 0.2115(4) 0.071(2) Uani 1 1 d . . .
C61 C 0.1762(3) -0.1926(4) 0.2630(4) 0.083(2) Uani 1 1 d . . .
H61A H 0.1559 -0.1745 0.2963 0.100 Uiso 1 1 calc R . .
C62 C 0.1734(5) -0.3155(4) 0.2939(4) 0.113(3) Uani 1 1 d . . .
H62A H 0.1801 -0.3064 0.3432 0.136 Uiso 1 1 calc R . .
H62B H 0.1977 -0.3533 0.2854 0.136 Uiso 1 1 calc R . .
C63 C 0.1107(6) -0.3330(4) 0.2723(8) 0.107(3) Uani 1 1 d . . .
C64 C 0.0747(9) -0.3495(6) 0.3186(11) 0.196(8) Uani 1 1 d . . .
H64A H 0.0899 -0.3478 0.3655 0.235 Uiso 1 1 calc R . .
C65 C 0.0200(12) -0.3676(13) 0.3008(13) 0.235(15) Uani 1 1 d . . .
H65A H -0.0021 -0.3797 0.3350 0.282 Uiso 1 1 calc R . .
C66 C -0.0054(9) -0.3690(9) 0.2326(14) 0.220(12) Uani 1 1 d . . .
H66A H -0.0449 -0.3806 0.2209 0.264 Uiso 1 1 calc R . .
C67 C 0.0284(8) -0.3527(6) 0.1797(9) 0.179(6) Uani 1 1 d . . .
H67A H 0.0126 -0.3541 0.1329 0.214 Uiso 1 1 calc R . .
C68 C 0.0861(6) -0.3347(4) 0.2019(8) 0.130(4) Uani 1 1 d . . .
H68A H 0.1096 -0.3232 0.1690 0.155 Uiso 1 1 calc R . .
C69 C 0.0719(2) 0.2304(3) 0.0951(3) 0.0470(15) Uani 1 1 d . . .
C70 C 0.0357(3) 0.2018(3) 0.0403(3) 0.0612(18) Uani 1 1 d . . .
H70A H 0.0496 0.1669 0.0158 0.073 Uiso 1 1 calc R . .
C71 C -0.0217(3) 0.2249(3) 0.0213(3) 0.0686(19) Uani 1 1 d . . .
H71A H -0.0454 0.2057 -0.0164 0.082 Uiso 1 1 calc R . .
C72 C -0.0441(3) 0.2755(3) 0.0571(3) 0.0534(16) Uani 1 1 d . . .
C73 C -0.0064(3) 0.3045(3) 0.1110(3) 0.0650(19) Uani 1 1 d . . .
H73A H -0.0197 0.3397 0.1354 0.078 Uiso 1 1 calc R . .
C74 C 0.0505(3) 0.2821(3) 0.1290(3) 0.0651(19) Uani 1 1 d . . .
H74A H 0.0749 0.3029 0.1652 0.078 Uiso 1 1 calc R . .
C75 C -0.1054(3) 0.2983(3) 0.0418(4) 0.0605(18) Uani 1 1 d . . .
C76 C -0.1507(3) 0.2778(3) -0.0062(4) 0.073(2) Uani 1 1 d . . .
H76A H -0.1497 0.2449 -0.0397 0.088 Uiso 1 1 calc R . .
C77 C -0.2581(3) 0.3091(4) -0.0291(4) 0.093(3) Uani 1 1 d . . .
H77A H -0.2594 0.2982 -0.0777 0.112 Uiso 1 1 calc R . .
H77B H -0.2777 0.3517 -0.0261 0.112 Uiso 1 1 calc R . .
C78 C -0.2895(3) 0.2562(5) 0.0053(6) 0.084(3) Uani 1 1 d . . .
C79 C -0.3005(4) 0.2632(5) 0.0729(7) 0.118(3) Uani 1 1 d . . .
H79A H -0.2880 0.3016 0.0978 0.142 Uiso 1 1 calc R . .
C80 C -0.3297(4) 0.2138(7) 0.1039(6) 0.128(4) Uani 1 1 d . . .
H80A H -0.3377 0.2190 0.1489 0.154 Uiso 1 1 calc R . .
C81 C -0.3467(4) 0.1577(6) 0.0672(8) 0.124(4) Uani 1 1 d . . .
H81A H -0.3662 0.1241 0.0874 0.149 Uiso 1 1 calc R . .
C82 C -0.3355(5) 0.1499(6) 0.0015(7) 0.132(4) Uani 1 1 d . . .
H82A H -0.3472 0.1110 -0.0228 0.159 Uiso 1 1 calc R . .
C83 C -0.3072(4) 0.1989(6) -0.0290(6) 0.117(4) Uani 1 1 d . . .
H83A H -0.2999 0.1931 -0.0741 0.140 Uiso 1 1 calc R . .
C84 C 0.6122(5) 0.5428(6) 0.9602(6) 0.222(6) Uiso 1 1 d . . .
H84A H 0.5982 0.5562 1.0020 0.333 Uiso 1 1 calc R . .
H84B H 0.5913 0.5670 0.9217 0.333 Uiso 1 1 calc R . .
H84C H 0.6535 0.5522 0.9641 0.333 Uiso 1 1 calc R . .
C85 C 0.6022(4) 0.4706(6) 0.9493(6) 0.142(4) Uiso 1 1 d . . .
C86 C 0.5722(4) 0.4348(6) 0.9956(6) 0.159(4) Uiso 1 1 d . . .
H86A H 0.5578 0.4588 1.0301 0.191 Uiso 1 1 calc R . .
C87 C 0.5629(4) 0.3675(6) 0.9932(6) 0.171(4) Uiso 1 1 d . . .
H87A H 0.5462 0.3443 1.0266 0.205 Uiso 1 1 calc R . .
C88 C 0.5805(4) 0.3376(6) 0.9373(6) 0.158(4) Uiso 1 1 d . . .
H88A H 0.5751 0.2917 0.9332 0.190 Uiso 1 1 calc R . .
C89 C 0.6046(4) 0.3677(6) 0.8881(6) 0.161(4) Uiso 1 1 d . . .
H89A H 0.6134 0.3446 0.8496 0.193 Uiso 1 1 calc R . .
C90 C 0.6159(4) 0.4357(6) 0.8967(6) 0.158(4) Uiso 1 1 d . . .
H90A H 0.6342 0.4576 0.8637 0.189 Uiso 1 1 calc R . .
C91 C 1.0620(5) 0.5266(6) 0.5057(7) 0.177(4) Uiso 1 1 d . . .
C92 C 1.0275(5) 0.4988(5) 0.4469(6) 0.155(4) Uiso 1 1 d . . .
C93 C 0.9693(5) 0.4733(5) 0.4320(5) 0.153(4) Uiso 1 1 d . . .
O1 O 0.3749(3) -0.0155(3) 0.3500(3) 0.1071(18) Uani 1 1 d . . .
O2 O 0.0817(2) 0.4422(2) 0.2909(2) 0.0845(15) Uani 1 1 d . . .
O3 O 0.5234(2) 0.1292(3) 0.1480(4) 0.133(2) Uani 1 1 d . . .
O4 O 0.1974(3) 0.5562(3) 0.1383(4) 0.1119(19) Uani 1 1 d . . .
O5 O 0.3661(3) 0.0085(3) -0.0679(3) 0.1027(17) Uani 1 1 d . . .
O6 O 0.0573(2) 0.4447(2) -0.0428(3) 0.1012(17) Uani 1 1 d . . .
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'
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
C4 Si1 C5 109.1(4) . . ?
C4 Si1 C6 109.1(4) . . ?
C5 Si1 C6 109.7(5) . . ?
C4 Si1 C7 109.1(4) . . ?
C5 Si1 C7 109.9(5) . . ?
C6 Si1 C7 109.9(5) . . ?
N4 Ru1 N8 176.2(2) . . ?
N4 Ru1 N6 89.50(18) . . ?
N8 Ru1 N6 89.99(18) . . ?
N4 Ru1 N2 90.19(18) . . ?
N8 Ru1 N2 90.07(18) . . ?
N6 Ru1 N2 176.3(2) . . ?
N4 Ru1 Ru2 88.00(16) . . ?
N8 Ru1 Ru2 88.22(14) . . ?
N6 Ru1 Ru2 87.55(14) . . ?
N2 Ru1 Ru2 88.73(14) . . ?
C1 Ru2 N3 93.6(2) . . ?
C1 Ru2 N5 94.9(2) . . ?
N3 Ru2 N5 89.29(19) . . ?
C1 Ru2 N1 91.4(2) . . ?
N3 Ru2 N1 90.36(19) . . ?
N5 Ru2 N1 173.7(2) . . ?
C1 Ru2 N7 92.8(2) . . ?
N3 Ru2 N7 173.6(2) . . ?
N5 Ru2 N7 89.21(18) . . ?
N1 Ru2 N7 90.44(18) . . ?
C1 Ru2 Ru1 177.71(16) . . ?
N3 Ru2 Ru1 86.90(16) . . ?
N5 Ru2 Ru1 87.34(14) . . ?
N1 Ru2 Ru1 86.32(14) . . ?
N7 Ru2 Ru1 86.78(14) . . ?
C8 N1 C9 115.5(5) . . ?
C8 N1 Ru2 120.2(4) . . ?
C9 N1 Ru2 124.2(4) . . ?
C8 N2 C16 117.7(5) . . ?
C8 N2 Ru1 117.6(4) . . ?
C16 N2 Ru1 124.3(4) . . ?
C23 N3 C24 113.7(6) . . ?
C23 N3 Ru2 119.9(5) . . ?
C24 N3 Ru2 126.0(4) . . ?
C23 N4 C31 115.7(5) . . ?
C23 N4 Ru1 119.9(4) . . ?
C31 N4 Ru1 124.2(4) . . ?
C38 N5 C39 116.7(5) . . ?
C38 N5 Ru2 119.1(4) . . ?
C39 N5 Ru2 123.7(4) . . ?
C38 N6 C46 116.6(5) . . ?
C38 N6 Ru1 119.4(4) . . ?
C46 N6 Ru1 123.8(4) . . ?
C53 N7 C54 114.7(5) . . ?
C53 N7 Ru2 120.5(4) . . ?
C54 N7 Ru2 124.7(4) . . ?
C53 N8 C69 116.7(5) . . ?
C53 N8 Ru1 120.0(4) . . ?
C69 N8 Ru1 123.2(4) . . ?
N10 N9 C60 108.7(7) . . ?
N11 N10 N9 107.0(7) . . ?
N10 N11 C61 111.2(7) . . ?
N10 N11 C62 119.7(8) . . ?
C61 N11 C62 128.6(9) . . ?
N13 N12 C75 108.4(6) . . ?
N14 N13 N12 106.6(5) . . ?
C76 N14 N13 111.2(6) . . ?
C76 N14 C77 129.0(7) . . ?
N13 N14 C77 119.6(7) . . ?
C2 C1 Ru2 173.4(6) . . ?
C1 C2 C3 174.2(7) . . ?
C4 C3 C2 177.0(8) . . ?
C3 C4 Si1 173.5(7) . . ?
N1 C8 N2 124.9(5) . . ?
C10 C9 C14 121.2(6) . . ?
C10 C9 N1 119.7(6) . . ?
C14 C9 N1 119.1(6) . . ?
C9 C10 C11 119.0(7) . . ?
C12 C11 C10 120.6(8) . . ?
C11 C12 C13 120.0(8) . . ?
O1 C13 C14 124.6(8) . . ?
O1 C13 C12 115.1(7) . . ?
C14 C13 C12 120.3(7) . . ?
C13 C14 C9 118.9(7) . . ?
C17 C16 C21 118.8(6) . . ?
C17 C16 N2 121.8(6) . . ?
C21 C16 N2 119.1(6) . . ?
C16 C17 C18 120.6(6) . . ?
C19 C18 C17 121.3(6) . . ?
C18 C19 C20 119.0(6) . . ?
O2 C20 C19 115.8(6) . . ?
O2 C20 C21 123.2(6) . . ?
C19 C20 C21 121.0(6) . . ?
C20 C21 C16 119.3(6) . . ?
N3 C23 N4 122.9(6) . . ?
C29 C24 C25 120.9(7) . . ?
C29 C24 N3 120.9(6) . . ?
C25 C24 N3 118.1(7) . . ?
C24 C25 C26 118.6(7) . . ?
C27 C26 C25 120.5(8) . . ?
C26 C27 C28 120.6(8) . . ?
O3 C28 C29 125.3(9) . . ?
O3 C28 C27 114.8(9) . . ?
C29 C28 C27 119.9(8) . . ?
C24 C29 C28 119.5(7) . . ?
C36 C31 C32 120.5(7) . . ?
C36 C31 N4 119.8(6) . . ?
C32 C31 N4 119.7(7) . . ?
C31 C32 C33 118.3(8) . . ?
C34 C33 C32 120.2(8) . . ?
C35 C34 C33 120.0(9) . . ?
C34 C35 O4 114.4(9) . . ?
C34 C35 C36 120.8(9) . . ?
O4 C35 C36 124.9(9) . . ?
C31 C36 C35 120.3(7) . . ?
N5 C38 N6 124.3(5) . . ?
C40 C39 C44 120.6(6) . . ?
C40 C39 N5 118.3(6) . . ?
C44 C39 N5 121.0(6) . . ?
C39 C40 C41 119.8(7) . . ?
C42 C41 C40 119.3(7) . . ?
C41 C42 C43 120.0(7) . . ?
O5 C43 C44 125.0(8) . . ?
O5 C43 C42 114.7(7) . . ?
C44 C43 C42 120.2(7) . . ?
C43 C44 C39 120.0(7) . . ?
C47 C46 C51 119.6(6) . . ?
C47 C46 N6 120.9(6) . . ?
C51 C46 N6 119.6(6) . . ?
C48 C47 C46 119.3(7) . . ?
C49 C48 C47 122.0(7) . . ?
C48 C49 C50 118.9(7) . . ?
C49 C50 O6 124.9(7) . . ?
C49 C50 C51 120.6(7) . . ?
O6 C50 C51 114.5(7) . . ?
C50 C51 C46 119.5(7) . . ?
N7 C53 N8 122.4(6) . . ?
C59 C54 C55 118.2(6) . . ?
C59 C54 N7 121.7(6) . . ?
C55 C54 N7 120.1(6) . . ?
C56 C55 C54 120.6(6) . . ?
C57 C56 C55 120.8(6) . . ?
C56 C57 C58 118.2(6) . . ?
C56 C57 C60 120.8(6) . . ?
C58 C57 C60 121.0(6) . . ?
C59 C58 C57 121.2(6) . . ?
C58 C59 C54 121.0(6) . . ?
C61 C60 N9 107.5(7) . . ?
C61 C60 C57 131.9(7) . . ?
N9 C60 C57 120.6(7) . . ?
N11 C61 C60 105.6(7) . . ?
N11 C62 C63 111.9(8) . . ?
C64 C63 C68 116.8(14) . . ?
C64 C63 C62 122.3(16) . . ?
C68 C63 C62 120.9(12) . . ?
C65 C64 C63 123(3) . . ?
C64 C65 C66 121(3) . . ?
C65 C66 C67 120(3) . . ?
C68 C67 C66 115.9(18) . . ?
C67 C68 C63 122.6(13) . . ?
C74 C69 C70 118.4(6) . . ?
C74 C69 N8 119.1(6) . . ?
C70 C69 N8 122.5(6) . . ?
C69 C70 C71 120.2(6) . . ?
C72 C71 C70 121.5(6) . . ?
C71 C72 C73 117.2(6) . . ?
C71 C72 C75 123.2(6) . . ?
C73 C72 C75 119.7(6) . . ?
C74 C73 C72 121.2(6) . . ?
C69 C74 C73 121.5(6) . . ?
C76 C75 N12 107.9(6) . . ?
C76 C75 C72 131.3(7) . . ?
N12 C75 C72 120.8(7) . . ?
N14 C76 C75 105.9(7) . . ?
N14 C77 C78 110.3(6) . . ?
C83 C78 C79 118.0(10) . . ?
C83 C78 C77 120.3(11) . . ?
C79 C78 C77 121.7(10) . . ?
C80 C79 C78 120.9(10) . . ?
C81 C80 C79 118.7(11) . . ?
C82 C81 C80 121.0(12) . . ?
C81 C82 C83 120.1(12) . . ?
C78 C83 C82 121.3(11) . . ?
C90 C85 C86 115.2(12) . . ?
C90 C85 C84 125.6(12) . . ?
C86 C85 C84 119.1(11) . . ?
C87 C86 C85 124.7(12) . . ?
C88 C87 C86 113.4(12) . . ?
C89 C88 C87 126.2(12) . . ?
C88 C89 C90 116.7(12) . . ?
C85 C90 C89 123.3(12) . . ?
C92 C91 C93 112.4(10) . 3_766 ?
C91 C92 C93 134.9(10) . . ?
C92 C93 C91 112.6(9) . 3_766 ?
C13 O1 C15 118.2(6) . . ?
C20 O2 C22 118.2(5) . . ?
C28 O3 C30 117.1(7) . . ?
C35 O4 C37 118.7(7) . . ?
C43 O5 C45 117.7(6) . . ?
C50 O6 C52 118.1(6) . . ?
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
Si1 C4 1.810(8) . ?
Si1 C5 1.814(9) . ?
Si1 C6 1.837(9) . ?
Si1 C7 1.866(10) . ?
Ru1 N4 2.001(5) . ?
Ru1 N8 2.019(5) . ?
Ru1 N6 2.031(4) . ?
Ru1 N2 2.035(5) . ?
Ru1 Ru2 2.4795(7) . ?
Ru2 C1 2.028(7) . ?
Ru2 N3 2.038(5) . ?
Ru2 N5 2.046(4) . ?
Ru2 N1 2.053(4) . ?
Ru2 N7 2.057(5) . ?
N1 C8 1.297(6) . ?
N1 C9 1.450(7) . ?
N2 C8 1.338(6) . ?
N2 C16 1.403(7) . ?
N3 C23 1.317(7) . ?
N3 C24 1.442(7) . ?
N4 C23 1.340(7) . ?
N4 C31 1.440(7) . ?
N5 C38 1.318(6) . ?
N5 C39 1.436(7) . ?
N6 C38 1.320(6) . ?
N6 C46 1.421(7) . ?
N7 C53 1.311(6) . ?
N7 C54 1.437(7) . ?
N8 C53 1.349(6) . ?
N8 C69 1.433(6) . ?
N9 N10 1.322(8) . ?
N9 C60 1.360(8) . ?
N10 N11 1.315(8) . ?
N11 C61 1.339(8) . ?
N11 C62 1.476(9) . ?
N12 N13 1.332(6) . ?
N12 C75 1.357(7) . ?
N13 N14 1.332(7) . ?
N14 C76 1.327(7) . ?
N14 C77 1.465(7) . ?
C1 C2 1.209(7) . ?
C2 C3 1.387(9) . ?
C3 C4 1.218(8) . ?
C9 C10 1.368(8) . ?
C9 C14 1.376(7) . ?
C10 C11 1.373(8) . ?
C11 C12 1.361(9) . ?
C12 C13 1.373(9) . ?
C13 O1 1.356(8) . ?
C13 C14 1.371(8) . ?
C15 O1 1.412(8) . ?
C16 C17 1.368(7) . ?
C16 C21 1.399(7) . ?
C17 C18 1.376(7) . ?
C18 C19 1.353(8) . ?
C19 C20 1.375(8) . ?
C20 O2 1.361(7) . ?
C20 C21 1.381(7) . ?
C22 O2 1.424(7) . ?
C24 C29 1.372(8) . ?
C24 C25 1.377(8) . ?
C25 C26 1.388(9) . ?
C26 C27 1.352(10) . ?
C27 C28 1.375(10) . ?
C28 O3 1.351(8) . ?
C28 C29 1.374(9) . ?
C30 O3 1.385(8) . ?
C31 C36 1.366(8) . ?
C31 C32 1.388(8) . ?
C32 C33 1.425(9) . ?
C33 C34 1.373(10) . ?
C34 C35 1.359(10) . ?
C35 O4 1.363(8) . ?
C35 C36 1.390(9) . ?
C37 O4 1.405(8) . ?
C39 C40 1.364(8) . ?
C39 C44 1.368(7) . ?
C40 C41 1.394(8) . ?
C41 C42 1.369(8) . ?
C42 C43 1.381(9) . ?
C43 O5 1.357(7) . ?
C43 C44 1.364(8) . ?
C45 O5 1.411(8) . ?
C46 C47 1.381(7) . ?
C46 C51 1.389(7) . ?
C47 C48 1.370(8) . ?
C48 C49 1.364(8) . ?
C49 C50 1.372(8) . ?
C50 O6 1.374(7) . ?
C50 C51 1.388(8) . ?
C52 O6 1.440(7) . ?
C54 C59 1.375(7) . ?
C54 C55 1.385(7) . ?
C55 C56 1.376(7) . ?
C56 C57 1.369(8) . ?
C57 C58 1.384(8) . ?
C57 C60 1.482(8) . ?
C58 C59 1.357(7) . ?
C60 C61 1.349(8) . ?
C62 C63 1.480(12) . ?
C63 C64 1.354(15) . ?
C63 C68 1.406(13) . ?
C64 C65 1.30(2) . ?
C65 C66 1.37(3) . ?
C66 C67 1.423(19) . ?
C67 C68 1.378(13) . ?
C69 C74 1.361(7) . ?
C69 C70 1.377(7) . ?
C70 C71 1.393(7) . ?
C71 C72 1.374(8) . ?
C72 C73 1.384(7) . ?
C72 C75 1.468(8) . ?
C73 C74 1.375(7) . ?
C75 C76 1.355(8) . ?
C77 C78 1.496(10) . ?
C78 C83 1.359(10) . ?
C78 C79 1.388(11) . ?
C79 C80 1.386(11) . ?
C80 C81 1.358(11) . ?
C81 C82 1.354(12) . ?
C82 C83 1.364(12) . ?
C84 C85 1.475(12) . ?
C85 C90 1.320(11) . ?
C85 C86 1.412(12) . ?
C86 C87 1.363(12) . ?
C87 C88 1.360(12) . ?
C88 C89 1.324(11) . ?
C89 C90 1.390(12) . ?
C91 C92 1.407(12) . ?
C91 C93 1.506(12) 3_766 ?
C92 C93 1.419(11) . ?
C93 C91 1.506(12) 3_766 ?
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 Ru1 Ru2 C1 92(4) . . . . ?
N8 Ru1 Ru2 C1 -89(4) . . . . ?
N6 Ru1 Ru2 C1 -179(100) . . . . ?
N2 Ru1 Ru2 C1 1(4) . . . . ?
N4 Ru1 Ru2 N3 -11.36(19) . . . . ?
N8 Ru1 Ru2 N3 168.29(18) . . . . ?
N6 Ru1 Ru2 N3 78.22(19) . . . . ?
N2 Ru1 Ru2 N3 -101.60(18) . . . . ?
N4 Ru1 Ru2 N5 -100.79(18) . . . . ?
N8 Ru1 Ru2 N5 78.86(18) . . . . ?
N6 Ru1 Ru2 N5 -11.21(18) . . . . ?
N2 Ru1 Ru2 N5 168.97(18) . . . . ?
N4 Ru1 Ru2 N1 79.20(18) . . . . ?
N8 Ru1 Ru2 N1 -101.15(18) . . . . ?
N6 Ru1 Ru2 N1 168.78(18) . . . . ?
N2 Ru1 Ru2 N1 -11.04(18) . . . . ?
N4 Ru1 Ru2 N7 169.85(18) . . . . ?
N8 Ru1 Ru2 N7 -10.50(18) . . . . ?
N6 Ru1 Ru2 N7 -100.57(18) . . . . ?
N2 Ru1 Ru2 N7 79.61(17) . . . . ?
C1 Ru2 N1 C8 -166.8(5) . . . . ?
N3 Ru2 N1 C8 99.6(5) . . . . ?
N5 Ru2 N1 C8 12.8(19) . . . . ?
N7 Ru2 N1 C8 -74.0(5) . . . . ?
Ru1 Ru2 N1 C8 12.7(4) . . . . ?
C1 Ru2 N1 C9 17.5(5) . . . . ?
N3 Ru2 N1 C9 -76.1(5) . . . . ?
N5 Ru2 N1 C9 -162.9(15) . . . . ?
N7 Ru2 N1 C9 110.3(5) . . . . ?
Ru1 Ru2 N1 C9 -163.0(5) . . . . ?
N4 Ru1 N2 C8 -75.3(4) . . . . ?
N8 Ru1 N2 C8 100.9(4) . . . . ?
N6 Ru1 N2 C8 10(3) . . . . ?
Ru2 Ru1 N2 C8 12.7(4) . . . . ?
N4 Ru1 N2 C16 112.1(5) . . . . ?
N8 Ru1 N2 C16 -71.7(4) . . . . ?
N6 Ru1 N2 C16 -163(3) . . . . ?
Ru2 Ru1 N2 C16 -159.9(4) . . . . ?
C1 Ru2 N3 C23 -164.9(5) . . . . ?
N5 Ru2 N3 C23 100.2(5) . . . . ?
N1 Ru2 N3 C23 -73.5(5) . . . . ?
N7 Ru2 N3 C23 24(2) . . . . ?
Ru1 Ru2 N3 C23 12.8(5) . . . . ?
C1 Ru2 N3 C24 23.0(5) . . . . ?
N5 Ru2 N3 C24 -71.9(5) . . . . ?
N1 Ru2 N3 C24 114.5(5) . . . . ?
N7 Ru2 N3 C24 -148.4(16) . . . . ?
Ru1 Ru2 N3 C24 -159.2(5) . . . . ?
N8 Ru1 N4 C23 8(3) . . . . ?
N6 Ru1 N4 C23 -74.1(4) . . . . ?
N2 Ru1 N4 C23 102.1(4) . . . . ?
Ru2 Ru1 N4 C23 13.4(4) . . . . ?
N8 Ru1 N4 C31 -168(3) . . . . ?
N6 Ru1 N4 C31 110.0(5) . . . . ?
N2 Ru1 N4 C31 -73.7(5) . . . . ?
Ru2 Ru1 N4 C31 -162.4(5) . . . . ?
C1 Ru2 N5 C38 -168.0(4) . . . . ?
N3 Ru2 N5 C38 -74.4(4) . . . . ?
N1 Ru2 N5 C38 12.5(19) . . . . ?
N7 Ru2 N5 C38 99.3(4) . . . . ?
Ru1 Ru2 N5 C38 12.5(4) . . . . ?
C1 Ru2 N5 C39 20.4(5) . . . . ?
N3 Ru2 N5 C39 113.9(5) . . . . ?
N1 Ru2 N5 C39 -159.2(15) . . . . ?
N7 Ru2 N5 C39 -72.3(5) . . . . ?
Ru1 Ru2 N5 C39 -159.2(5) . . . . ?
N4 Ru1 N6 C38 101.4(5) . . . . ?
N8 Ru1 N6 C38 -74.8(5) . . . . ?
N2 Ru1 N6 C38 16(3) . . . . ?
Ru2 Ru1 N6 C38 13.4(4) . . . . ?
N4 Ru1 N6 C46 -73.6(5) . . . . ?
N8 Ru1 N6 C46 110.2(5) . . . . ?
N2 Ru1 N6 C46 -159(3) . . . . ?
Ru2 Ru1 N6 C46 -161.6(4) . . . . ?
C1 Ru2 N7 C53 -169.3(4) . . . . ?
N3 Ru2 N7 C53 2.1(19) . . . . ?
N5 Ru2 N7 C53 -74.4(4) . . . . ?
N1 Ru2 N7 C53 99.3(4) . . . . ?
Ru1 Ru2 N7 C53 13.0(4) . . . . ?
C1 Ru2 N7 C54 13.9(5) . . . . ?
N3 Ru2 N7 C54 -174.7(15) . . . . ?
N5 Ru2 N7 C54 108.8(5) . . . . ?
N1 Ru2 N7 C54 -77.6(5) . . . . ?
Ru1 Ru2 N7 C54 -163.8(4) . . . . ?
N4 Ru1 N8 C53 17(3) . . . . ?
N6 Ru1 N8 C53 99.1(4) . . . . ?
N2 Ru1 N8 C53 -77.1(4) . . . . ?
Ru2 Ru1 N8 C53 11.6(4) . . . . ?
N4 Ru1 N8 C69 -160(3) . . . . ?
N6 Ru1 N8 C69 -78.1(4) . . . . ?
N2 Ru1 N8 C69 105.6(4) . . . . ?
Ru2 Ru1 N8 C69 -165.7(4) . . . . ?
C60 N9 N10 N11 1.3(10) . . . . ?
N9 N10 N11 C61 -0.4(11) . . . . ?
N9 N10 N11 C62 172.4(7) . . . . ?
C75 N12 N13 N14 -0.4(7) . . . . ?
N12 N13 N14 C76 -0.4(8) . . . . ?
N12 N13 N14 C77 175.6(6) . . . . ?
N3 Ru2 C1 C2 116(5) . . . . ?
N5 Ru2 C1 C2 -154(5) . . . . ?
N1 Ru2 C1 C2 26(5) . . . . ?
N7 Ru2 C1 C2 -65(5) . . . . ?
Ru1 Ru2 C1 C2 14(9) . . . . ?
Ru2 C1 C2 C3 0(11) . . . . ?
C1 C2 C3 C4 -37(19) . . . . ?
C2 C3 C4 Si1 16(21) . . . . ?
C5 Si1 C4 C3 -156(6) . . . . ?
C6 Si1 C4 C3 -36(7) . . . . ?
C7 Si1 C4 C3 84(7) . . . . ?
C9 N1 C8 N2 169.4(5) . . . . ?
Ru2 N1 C8 N2 -6.7(8) . . . . ?
C16 N2 C8 N1 166.4(5) . . . . ?
Ru1 N2 C8 N1 -6.7(7) . . . . ?
C8 N1 C9 C10 -74.0(7) . . . . ?
Ru2 N1 C9 C10 101.8(6) . . . . ?
C8 N1 C9 C14 107.9(7) . . . . ?
Ru2 N1 C9 C14 -76.2(7) . . . . ?
C14 C9 C10 C11 3.8(11) . . . . ?
N1 C9 C10 C11 -174.3(6) . . . . ?
C9 C10 C11 C12 -2.3(12) . . . . ?
C10 C11 C12 C13 -0.1(13) . . . . ?
C11 C12 C13 O1 -179.5(7) . . . . ?
C11 C12 C13 C14 1.1(13) . . . . ?
O1 C13 C14 C9 -179.1(6) . . . . ?
C12 C13 C14 C9 0.3(11) . . . . ?
C10 C9 C14 C13 -2.8(10) . . . . ?
N1 C9 C14 C13 175.2(6) . . . . ?
C8 N2 C16 C17 -46.5(8) . . . . ?
Ru1 N2 C16 C17 126.2(5) . . . . ?
C8 N2 C16 C21 140.0(6) . . . . ?
Ru1 N2 C16 C21 -47.4(7) . . . . ?
C21 C16 C17 C18 -1.6(9) . . . . ?
N2 C16 C17 C18 -175.2(5) . . . . ?
C16 C17 C18 C19 3.2(10) . . . . ?
C17 C18 C19 C20 -2.9(10) . . . . ?
C18 C19 C20 O2 -179.6(6) . . . . ?
C18 C19 C20 C21 1.1(10) . . . . ?
O2 C20 C21 C16 -178.8(6) . . . . ?
C19 C20 C21 C16 0.4(9) . . . . ?
C17 C16 C21 C20 -0.2(9) . . . . ?
N2 C16 C21 C20 173.6(5) . . . . ?
C24 N3 C23 N4 166.5(5) . . . . ?
Ru2 N3 C23 N4 -6.5(8) . . . . ?
C31 N4 C23 N3 168.7(6) . . . . ?
Ru1 N4 C23 N3 -7.4(8) . . . . ?
C23 N3 C24 C29 118.9(7) . . . . ?
Ru2 N3 C24 C29 -68.6(7) . . . . ?
C23 N3 C24 C25 -63.2(8) . . . . ?
Ru2 N3 C24 C25 109.3(6) . . . . ?
C29 C24 C25 C26 -0.7(11) . . . . ?
N3 C24 C25 C26 -178.5(7) . . . . ?
C24 C25 C26 C27 1.5(13) . . . . ?
C25 C26 C27 C28 -1.8(14) . . . . ?
C26 C27 C28 O3 -179.9(8) . . . . ?
C26 C27 C28 C29 1.3(14) . . . . ?
C25 C24 C29 C28 0.1(11) . . . . ?
N3 C24 C29 C28 177.9(6) . . . . ?
O3 C28 C29 C24 -179.2(7) . . . . ?
C27 C28 C29 C24 -0.4(12) . . . . ?
C23 N4 C31 C36 132.7(6) . . . . ?
Ru1 N4 C31 C36 -51.3(8) . . . . ?
C23 N4 C31 C32 -47.0(8) . . . . ?
Ru1 N4 C31 C32 129.0(5) . . . . ?
C36 C31 C32 C33 -0.6(10) . . . . ?
N4 C31 C32 C33 179.1(6) . . . . ?
C31 C32 C33 C34 0.4(12) . . . . ?
C32 C33 C34 C35 0.5(13) . . . . ?
C33 C34 C35 O4 179.8(7) . . . . ?
C33 C34 C35 C36 -1.2(13) . . . . ?
C32 C31 C36 C35 -0.1(10) . . . . ?
N4 C31 C36 C35 -179.8(6) . . . . ?
C34 C35 C36 C31 1.0(11) . . . . ?
O4 C35 C36 C31 179.9(7) . . . . ?
C39 N5 C38 N6 166.3(6) . . . . ?
Ru2 N5 C38 N6 -5.9(8) . . . . ?
C46 N6 C38 N5 167.6(5) . . . . ?
Ru1 N6 C38 N5 -7.7(8) . . . . ?
C38 N5 C39 C40 -62.9(8) . . . . ?
Ru2 N5 C39 C40 109.0(6) . . . . ?
C38 N5 C39 C44 120.8(6) . . . . ?
Ru2 N5 C39 C44 -67.3(7) . . . . ?
C44 C39 C40 C41 0.3(10) . . . . ?
N5 C39 C40 C41 -176.0(6) . . . . ?
C39 C40 C41 C42 0.7(11) . . . . ?
C40 C41 C42 C43 -2.4(11) . . . . ?
C41 C42 C43 O5 -179.3(6) . . . . ?
C41 C42 C43 C44 3.1(11) . . . . ?
O5 C43 C44 C39 -179.5(6) . . . . ?
C42 C43 C44 C39 -2.1(10) . . . . ?
C40 C39 C44 C43 0.5(10) . . . . ?
N5 C39 C44 C43 176.7(6) . . . . ?
C38 N6 C46 C47 -52.9(8) . . . . ?
Ru1 N6 C46 C47 122.3(5) . . . . ?
C38 N6 C46 C51 128.4(6) . . . . ?
Ru1 N6 C46 C51 -56.5(7) . . . . ?
C51 C46 C47 C48 0.8(9) . . . . ?
N6 C46 C47 C48 -178.0(6) . . . . ?
C46 C47 C48 C49 -2.0(11) . . . . ?
C47 C48 C49 C50 2.1(11) . . . . ?
C48 C49 C50 O6 178.8(7) . . . . ?
C48 C49 C50 C51 -1.0(11) . . . . ?
C49 C50 C51 C46 -0.1(10) . . . . ?
O6 C50 C51 C46 -180.0(5) . . . . ?
C47 C46 C51 C50 0.2(9) . . . . ?
N6 C46 C51 C50 179.0(5) . . . . ?
C54 N7 C53 N8 169.1(5) . . . . ?
Ru2 N7 C53 N8 -8.0(8) . . . . ?
C69 N8 C53 N7 172.5(5) . . . . ?
Ru1 N8 C53 N7 -5.0(8) . . . . ?
C53 N7 C54 C59 118.7(6) . . . . ?
Ru2 N7 C54 C59 -64.3(7) . . . . ?
C53 N7 C54 C55 -60.3(7) . . . . ?
Ru2 N7 C54 C55 116.7(5) . . . . ?
C59 C54 C55 C56 2.2(10) . . . . ?
N7 C54 C55 C56 -178.8(6) . . . . ?
C54 C55 C56 C57 -1.4(11) . . . . ?
C55 C56 C57 C58 0.2(10) . . . . ?
C55 C56 C57 C60 179.8(6) . . . . ?
C56 C57 C58 C59 0.2(10) . . . . ?
C60 C57 C58 C59 -179.4(6) . . . . ?
C57 C58 C59 C54 0.6(10) . . . . ?
C55 C54 C59 C58 -1.8(9) . . . . ?
N7 C54 C59 C58 179.2(5) . . . . ?
N10 N9 C60 C61 -1.7(10) . . . . ?
N10 N9 C60 C57 179.5(7) . . . . ?
C56 C57 C60 C61 4.8(13) . . . . ?
C58 C57 C60 C61 -175.5(8) . . . . ?
C56 C57 C60 N9 -176.6(7) . . . . ?
C58 C57 C60 N9 3.0(11) . . . . ?
N10 N11 C61 C60 -0.6(10) . . . . ?
C62 N11 C61 C60 -172.7(8) . . . . ?
N9 C60 C61 N11 1.4(9) . . . . ?
C57 C60 C61 N11 -180.0(7) . . . . ?
N10 N11 C62 C63 -99.7(10) . . . . ?
C61 N11 C62 C63 71.8(11) . . . . ?
N11 C62 C63 C64 -136.3(10) . . . . ?
N11 C62 C63 C68 45.2(12) . . . . ?
C68 C63 C64 C65 1(2) . . . . ?
C62 C63 C64 C65 -177.3(17) . . . . ?
C63 C64 C65 C66 -2(4) . . . . ?
C64 C65 C66 C67 2(4) . . . . ?
C65 C66 C67 C68 -1(3) . . . . ?
C66 C67 C68 C63 0.6(17) . . . . ?
C64 C63 C68 C67 -0.6(15) . . . . ?
C62 C63 C68 C67 178.0(9) . . . . ?
C53 N8 C69 C74 134.1(6) . . . . ?
Ru1 N8 C69 C74 -48.5(7) . . . . ?
C53 N8 C69 C70 -47.0(8) . . . . ?
Ru1 N8 C69 C70 130.4(5) . . . . ?
C74 C69 C70 C71 -1.2(9) . . . . ?
N8 C69 C70 C71 179.9(5) . . . . ?
C69 C70 C71 C72 -1.3(10) . . . . ?
C70 C71 C72 C73 2.7(10) . . . . ?
C70 C71 C72 C75 -175.9(6) . . . . ?
C71 C72 C73 C74 -1.9(9) . . . . ?
C75 C72 C73 C74 176.8(6) . . . . ?
C70 C69 C74 C73 2.1(10) . . . . ?
N8 C69 C74 C73 -179.0(5) . . . . ?
C72 C73 C74 C69 -0.5(10) . . . . ?
N13 N12 C75 C76 1.1(8) . . . . ?
N13 N12 C75 C72 -178.3(5) . . . . ?
C71 C72 C75 C76 0.0(11) . . . . ?
C73 C72 C75 C76 -178.6(7) . . . . ?
C71 C72 C75 N12 179.2(6) . . . . ?
C73 C72 C75 N12 0.6(9) . . . . ?
N13 N14 C76 C75 1.0(8) . . . . ?
C77 N14 C76 C75 -174.5(7) . . . . ?
N12 C75 C76 N14 -1.3(8) . . . . ?
C72 C75 C76 N14 178.0(6) . . . . ?
C76 N14 C77 C78 83.2(10) . . . . ?
N13 N14 C77 C78 -92.1(9) . . . . ?
N14 C77 C78 C83 -111.7(8) . . . . ?
N14 C77 C78 C79 67.1(10) . . . . ?
C83 C78 C79 C80 -1.4(13) . . . . ?
C77 C78 C79 C80 179.8(7) . . . . ?
C78 C79 C80 C81 1.2(14) . . . . ?
C79 C80 C81 C82 -0.3(16) . . . . ?
C80 C81 C82 C83 -0.4(17) . . . . ?
C79 C78 C83 C82 0.7(13) . . . . ?
C77 C78 C83 C82 179.5(8) . . . . ?
C81 C82 C83 C78 0.1(16) . . . . ?
C90 C85 C86 C87 7.4(17) . . . . ?
C84 C85 C86 C87 -176.5(10) . . . . ?
C85 C86 C87 C88 -6.0(17) . . . . ?
C86 C87 C88 C89 0.0(18) . . . . ?
C87 C88 C89 C90 4.0(18) . . . . ?
C86 C85 C90 C89 -2.8(17) . . . . ?
C84 C85 C90 C89 -178.7(10) . . . . ?
C88 C89 C90 C85 -2.4(18) . . . . ?
C93 C91 C92 C93 3(2) 3_766 . . . ?
C91 C92 C93 C91 -3(2) . . . 3_766 ?
C14 C13 O1 C15 -2.4(11) . . . . ?
C12 C13 O1 C15 178.2(8) . . . . ?
C19 C20 O2 C22 -171.5(6) . . . . ?
C21 C20 O2 C22 7.7(9) . . . . ?
C29 C28 O3 C30 2.9(13) . . . . ?
C27 C28 O3 C30 -175.9(8) . . . . ?
C34 C35 O4 C37 176.6(8) . . . . ?
C36 C35 O4 C37 -2.4(11) . . . . ?
C44 C43 O5 C45 7.3(11) . . . . ?
C42 C43 O5 C45 -170.2(7) . . . . ?
C49 C50 O6 C52 0.1(10) . . . . ?
C51 C50 O6 C52 180.0(6) . . . . ?
