#------------------------------------------------------------------------------
#$Date: 2015-03-12 06:10:17 +0200 (Thu, 12 Mar 2015) $
#$Revision: 133848 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/05/4060554.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_4060554
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            'C91 H81 N11 O6 Ru2 Si2'
_chemical_formula_weight         1682.99
_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                99.4970(10)
_cell_angle_beta                 98.6360(10)
_cell_angle_gamma                93.2730(10)
_cell_formula_units_Z            2
_cell_length_a                   14.3200(6)
_cell_length_b                   16.7241(7)
_cell_length_c                   18.8792(8)
_cell_measurement_reflns_used    4358
_cell_measurement_temperature    300(2)
_cell_measurement_theta_max      22.927
_cell_measurement_theta_min      2.342
_cell_volume                     4393.3(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 0.988
_diffrn_measured_fraction_theta_max 0.988
_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  0.0425
_diffrn_reflns_av_sigmaI/netI    0.1046
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            23387
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.80
_exptl_absorpt_coefficient_mu    0.428
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.830638
_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    1.272
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1736
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.609
_refine_diff_density_min         -0.464
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     928
_refine_ls_number_reflns         15281
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.1119
_refine_ls_R_factor_gt           0.0499
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0447P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1053
_refine_ls_wR_factor_ref         0.1215
_reflns_number_gt                8368
_reflns_number_total             15281
_reflns_threshold_expression     >2sigma(I)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_database_code               4060554
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.04240(3) 0.24946(2) 0.27135(2) 0.04044(13) Uani 1 1 d . . .
Ru2 Ru 0.12330(3) 0.12593(2) 0.30527(2) 0.04080(13) Uani 1 1 d . . .
Si1 Si -0.23110(12) 0.61308(10) 0.21775(9) 0.0654(5) Uani 1 1 d . . .
Si2 Si 0.51428(15) -0.13550(14) 0.40215(14) 0.1075(8) Uani 1 1 d . . .
N1 N 0.1233(3) 0.2666(2) 0.1964(2) 0.0435(10) Uani 1 1 d . . .
N2 N 0.2190(3) 0.1746(2) 0.2448(2) 0.0439(10) Uani 1 1 d . . .
N3 N -0.0479(3) 0.1699(2) 0.1928(2) 0.0454(11) Uani 1 1 d . . .
N4 N 0.0493(3) 0.0632(2) 0.2082(2) 0.0475(11) Uani 1 1 d . . .
N5 N -0.0355(3) 0.2160(2) 0.3508(2) 0.0436(10) Uani 1 1 d . . .
N6 N 0.0225(3) 0.0897(2) 0.3590(2) 0.0431(10) Uani 1 1 d . . .
N7 N 0.1408(3) 0.3150(2) 0.3492(2) 0.0426(10) Uani 1 1 d . . .
N8 N 0.1880(3) 0.2010(2) 0.3954(2) 0.0418(10) Uani 1 1 d . . .
N9 N 0.4876(5) 0.5592(4) 0.6231(3) 0.106(2) Uani 1 1 d . . .
N10 N 0.5156(5) 0.6186(4) 0.6789(3) 0.123(3) Uani 1 1 d . . .
N11 N 0.4500(4) 0.6192(3) 0.7219(3) 0.0770(15) Uani 1 1 d . . .
C1 C -0.0412(4) 0.3382(3) 0.2678(3) 0.0458(13) Uani 1 1 d . . .
C2 C -0.0875(4) 0.3959(3) 0.2626(3) 0.0508(14) Uani 1 1 d . . .
C3 C -0.1359(4) 0.4629(3) 0.2509(3) 0.0516(14) Uani 1 1 d . . .
C4 C -0.1784(4) 0.5215(3) 0.2407(3) 0.0603(16) Uani 1 1 d . . .
C5 C -0.1936(6) 0.6987(4) 0.2950(4) 0.113(3) Uani 1 1 d . . .
H5A H -0.2187 0.6872 0.3370 0.170 Uiso 1 1 calc R . .
H5B H -0.2170 0.7478 0.2820 0.170 Uiso 1 1 calc R . .
H5C H -0.1256 0.7053 0.3060 0.170 Uiso 1 1 calc R . .
C6 C -0.3620(4) 0.5973(4) 0.1995(4) 0.107(3) Uani 1 1 d . . .
H6A H -0.3815 0.5532 0.1595 0.160 Uiso 1 1 calc R . .
H6B H -0.3878 0.6461 0.1876 0.160 Uiso 1 1 calc R . .
H6C H -0.3846 0.5846 0.2420 0.160 Uiso 1 1 calc R . .
C7 C -0.1851(6) 0.6369(5) 0.1376(4) 0.126(3) Uani 1 1 d . . .
H7A H -0.2037 0.5926 0.0976 0.189 Uiso 1 1 calc R . .
H7B H -0.1172 0.6450 0.1482 0.189 Uiso 1 1 calc R . .
H7C H -0.2103 0.6855 0.1250 0.189 Uiso 1 1 calc R . .
C8 C 0.2131(4) 0.0429(3) 0.3143(3) 0.0487(13) Uani 1 1 d . . .
C9 C 0.2721(4) -0.0053(3) 0.3262(3) 0.0556(15) Uani 1 1 d . . .
C10 C 0.3443(4) -0.0523(3) 0.3452(3) 0.0628(16) Uani 1 1 d . . .
C11 C 0.4095(5) -0.0920(4) 0.3638(4) 0.081(2) Uani 1 1 d . . .
C12 C 0.4849(6) -0.1800(6) 0.4816(5) 0.186(5) Uani 1 1 d . . .
H12A H 0.4365 -0.2240 0.4649 0.279 Uiso 1 1 calc R . .
H12B H 0.4624 -0.1388 0.5152 0.279 Uiso 1 1 calc R . .
H12C H 0.5406 -0.1998 0.5055 0.279 Uiso 1 1 calc R . .
C13 C 0.6068(5) -0.0517(5) 0.4297(5) 0.138(3) Uani 1 1 d . . .
H13A H 0.6194 -0.0303 0.3876 0.206 Uiso 1 1 calc R . .
H13B H 0.6635 -0.0711 0.4525 0.206 Uiso 1 1 calc R . .
H13C H 0.5860 -0.0096 0.4634 0.206 Uiso 1 1 calc R . .
C14 C 0.5509(6) -0.2136(6) 0.3381(6) 0.209(6) Uani 1 1 d . . .
H14A H 0.5658 -0.1912 0.2971 0.314 Uiso 1 1 calc R . .
H14B H 0.5006 -0.2561 0.3221 0.314 Uiso 1 1 calc R . .
H14C H 0.6060 -0.2354 0.3608 0.314 Uiso 1 1 calc R . .
C15 C 0.1992(3) 0.2250(3) 0.1993(3) 0.0460(13) Uani 1 1 d . . .
H15A H 0.2410 0.2318 0.1672 0.055 Uiso 1 1 calc R . .
C16 C 0.1042(3) 0.3080(3) 0.1359(3) 0.0460(13) Uani 1 1 d . . .
C17 C 0.0968(4) 0.2669(3) 0.0661(3) 0.0608(16) Uani 1 1 d . . .
H17A H 0.1028 0.2112 0.0575 0.073 Uiso 1 1 calc R . .
C18 C 0.0802(4) 0.3084(4) 0.0081(3) 0.0679(17) Uani 1 1 d . . .
H18A H 0.0750 0.2806 -0.0394 0.081 Uiso 1 1 calc R . .
C19 C 0.0714(4) 0.3902(4) 0.0210(3) 0.0675(17) Uani 1 1 d . . .
H19A H 0.0603 0.4177 -0.0181 0.081 Uiso 1 1 calc R . .
C20 C 0.0787(4) 0.4328(3) 0.0912(3) 0.0566(15) Uani 1 1 d . . .
C21 C 0.0941(4) 0.3912(3) 0.1494(3) 0.0513(14) Uani 1 1 d . . .
H21A H 0.0975 0.4188 0.1968 0.062 Uiso 1 1 calc R . .
C22 C 0.0807(5) 0.5598(4) 0.1687(4) 0.093(2) Uani 1 1 d . . .
H22A H 0.0723 0.6158 0.1659 0.139 Uiso 1 1 calc R . .
H22B H 0.1433 0.5555 0.1936 0.139 Uiso 1 1 calc R . .
H22C H 0.0348 0.5396 0.1950 0.139 Uiso 1 1 calc R . .
C23 C 0.3129(4) 0.1460(3) 0.2447(3) 0.0492(13) Uani 1 1 d . . .
C24 C 0.3847(4) 0.1781(4) 0.2988(4) 0.0706(17) Uani 1 1 d . . .
H24A H 0.3739 0.2191 0.3357 0.085 Uiso 1 1 calc R . .
C25 C 0.4759(5) 0.1500(5) 0.2997(4) 0.087(2) Uani 1 1 d . . .
H25A H 0.5251 0.1720 0.3370 0.105 Uiso 1 1 calc R . .
C26 C 0.4905(5) 0.0919(5) 0.2468(4) 0.089(2) Uani 1 1 d . . .
H26A H 0.5505 0.0735 0.2470 0.106 Uiso 1 1 calc R . .
C27 C 0.4189(6) 0.0586(5) 0.1920(5) 0.110(3) Uani 1 1 d . . .
C28 C 0.3288(5) 0.0866(4) 0.1915(4) 0.090(2) Uani 1 1 d . . .
H28A H 0.2796 0.0643 0.1542 0.108 Uiso 1 1 calc R . .
C29 C 0.3619(10) -0.0550(13) 0.0953(11) 0.61(3) Uani 1 1 d . . .
H29A H 0.3869 -0.0950 0.0622 0.908 Uiso 1 1 calc R . .
H29B H 0.3229 -0.0219 0.0682 0.908 Uiso 1 1 calc R . .
H29C H 0.3246 -0.0818 0.1241 0.908 Uiso 1 1 calc R . .
C30 C -0.0227(4) 0.0941(3) 0.1730(3) 0.0513(14) Uani 1 1 d . . .
H30A H -0.0582 0.0616 0.1320 0.062 Uiso 1 1 calc R . .
C31 C -0.1391(4) 0.1834(3) 0.1541(3) 0.0490(13) Uani 1 1 d . . .
C32 C -0.2171(4) 0.1308(4) 0.1533(3) 0.0641(16) Uani 1 1 d . . .
H32A H -0.2113 0.0875 0.1784 0.077 Uiso 1 1 calc R . .
C33 C -0.3044(4) 0.1425(4) 0.1146(4) 0.0797(19) Uani 1 1 d . . .
H33A H -0.3574 0.1077 0.1147 0.096 Uiso 1 1 calc R . .
C34 C -0.3123(5) 0.2063(4) 0.0761(3) 0.0739(18) Uani 1 1 d . . .
H34A H -0.3704 0.2135 0.0495 0.089 Uiso 1 1 calc R . .
C35 C -0.2358(4) 0.2579(4) 0.0772(3) 0.0620(16) Uani 1 1 d . . .
C36 C -0.1473(4) 0.2479(3) 0.1162(3) 0.0536(14) Uani 1 1 d . . .
H36A H -0.0950 0.2837 0.1167 0.064 Uiso 1 1 calc R . .
C37 C -0.1768(5) 0.3785(4) 0.0412(4) 0.093(2) Uani 1 1 d . . .
H37A H -0.1973 0.4169 0.0107 0.140 Uiso 1 1 calc R . .
H37B H -0.1232 0.3535 0.0250 0.140 Uiso 1 1 calc R . .
H37C H -0.1591 0.4062 0.0906 0.140 Uiso 1 1 calc R . .
C38 C 0.0708(4) -0.0126(3) 0.1680(3) 0.0525(14) Uani 1 1 d . . .
C39 C 0.0871(4) -0.0188(4) 0.0978(3) 0.0714(18) Uani 1 1 d . . .
H39A H 0.0858 0.0267 0.0753 0.086 Uiso 1 1 calc R . .
C40 C 0.1057(5) -0.0938(4) 0.0600(3) 0.086(2) Uani 1 1 d . . .
H40A H 0.1173 -0.0982 0.0124 0.103 Uiso 1 1 calc R . .
C41 C 0.1068(5) -0.1604(4) 0.0930(4) 0.081(2) Uani 1 1 d . . .
H41A H 0.1189 -0.2103 0.0677 0.097 Uiso 1 1 calc R . .
C42 C 0.0900(4) -0.1543(3) 0.1639(3) 0.0672(17) Uani 1 1 d . . .
C43 C 0.0718(4) -0.0808(3) 0.2018(3) 0.0611(15) Uani 1 1 d . . .
H43A H 0.0603 -0.0766 0.2494 0.073 Uiso 1 1 calc R . .
C44 C 0.0761(7) -0.2202(4) 0.2648(4) 0.129(3) Uani 1 1 d . . .
H44A H 0.0767 -0.2735 0.2773 0.193 Uiso 1 1 calc R . .
H44B H 0.0163 -0.1990 0.2707 0.193 Uiso 1 1 calc R . .
H44C H 0.1262 -0.1849 0.2960 0.193 Uiso 1 1 calc R . .
C45 C -0.0359(3) 0.1464(3) 0.3739(3) 0.0434(13) Uani 1 1 d . . .
H45A H -0.0807 0.1360 0.4029 0.052 Uiso 1 1 calc R . .
C46 C -0.1032(4) 0.2678(3) 0.3825(3) 0.0455(13) Uani 1 1 d . . .
C47 C -0.1973(4) 0.2555(4) 0.3545(3) 0.0666(16) Uani 1 1 d . . .
H47A H -0.2188 0.2174 0.3126 0.080 Uiso 1 1 calc R . .
C48 C -0.2607(4) 0.3011(4) 0.3898(4) 0.0780(19) Uani 1 1 d . . .
H48A H -0.3252 0.2927 0.3717 0.094 Uiso 1 1 calc R . .
C49 C -0.2298(5) 0.3566(4) 0.4494(4) 0.080(2) Uani 1 1 d . . .
H49A H -0.2730 0.3867 0.4722 0.096 Uiso 1 1 calc R . .
C50 C -0.1355(5) 0.3695(4) 0.4770(4) 0.084(2) Uani 1 1 d . . .
C51 C -0.0711(4) 0.3243(4) 0.4424(3) 0.0716(18) Uani 1 1 d . . .
H51A H -0.0065 0.3330 0.4604 0.086 Uiso 1 1 calc R . .
C52 C -0.0170(7) 0.4308(7) 0.5772(6) 0.262(9) Uani 1 1 d . . .
H52A H -0.0092 0.4740 0.6184 0.393 Uiso 1 1 calc R . .
H52B H 0.0283 0.4407 0.5463 0.393 Uiso 1 1 calc R . .
H52C H -0.0072 0.3801 0.5935 0.393 Uiso 1 1 calc R . .
C53 C -0.0021(4) 0.0124(3) 0.3785(3) 0.0484(13) Uani 1 1 d . . .
C54 C -0.0947(4) -0.0203(3) 0.3654(3) 0.0602(15) Uani 1 1 d . . .
H54A H -0.1418 0.0068 0.3421 0.072 Uiso 1 1 calc R . .
C55 C -0.1184(5) -0.0928(4) 0.3865(4) 0.0756(19) Uani 1 1 d . . .
H55A H -0.1813 -0.1141 0.3782 0.091 Uiso 1 1 calc R . .
C56 C -0.0486(5) -0.1336(4) 0.4198(3) 0.0734(18) Uani 1 1 d . . .
H56A H -0.0647 -0.1824 0.4344 0.088 Uiso 1 1 calc R . .
C57 C 0.0449(5) -0.1030(3) 0.4316(3) 0.0574(15) Uani 1 1 d . . .
C58 C 0.0688(4) -0.0291(3) 0.4113(3) 0.0494(14) Uani 1 1 d . . .
H58A H 0.1316 -0.0077 0.4196 0.059 Uiso 1 1 calc R . .
C59 C 0.2056(5) -0.1226(4) 0.4776(4) 0.097(2) Uani 1 1 d . . .
H59A H 0.2410 -0.1608 0.5010 0.145 Uiso 1 1 calc R . .
H59B H 0.2154 -0.0702 0.5086 0.145 Uiso 1 1 calc R . .
H59C H 0.2268 -0.1187 0.4323 0.145 Uiso 1 1 calc R . .
C60 C 0.1925(3) 0.2820(3) 0.4010(2) 0.0408(12) Uani 1 1 d . . .
C61 C 0.2529(4) 0.3370(3) 0.4632(3) 0.0416(12) Uani 1 1 d . . .
C62 C 0.2125(4) 0.3703(3) 0.5222(3) 0.0611(15) Uani 1 1 d . . .
H62A H 0.1506 0.3529 0.5251 0.073 Uiso 1 1 calc R . .
C63 C 0.2634(4) 0.4297(4) 0.5775(3) 0.0652(16) Uani 1 1 d . . .
H63A H 0.2345 0.4518 0.6164 0.078 Uiso 1 1 calc R . .
C64 C 0.3550(4) 0.4557(3) 0.5753(3) 0.0520(14) Uani 1 1 d . . .
C65 C 0.3959(4) 0.4200(3) 0.5181(3) 0.0647(16) Uani 1 1 d . . .
H65A H 0.4589 0.4352 0.5162 0.078 Uiso 1 1 calc R . .
C66 C 0.3453(4) 0.3620(3) 0.4635(3) 0.0583(15) Uani 1 1 d . . .
H66A H 0.3751 0.3391 0.4255 0.070 Uiso 1 1 calc R . .
C67 C 0.4056(4) 0.5220(3) 0.6313(3) 0.0608(15) Uani 1 1 d . . .
C68 C 0.3809(5) 0.5601(4) 0.6934(3) 0.0668(16) Uani 1 1 d . . .
H68A H 0.3269 0.5479 0.7127 0.080 Uiso 1 1 calc R . .
C69 C 0.4606(6) 0.6795(4) 0.7894(3) 0.103(3) Uani 1 1 d . . .
H69A H 0.3983 0.6945 0.7983 0.124 Uiso 1 1 calc R . .
H69B H 0.4967 0.7281 0.7834 0.124 Uiso 1 1 calc R . .
C70 C 0.5098(6) 0.6479(4) 0.8548(3) 0.080(2) Uani 1 1 d . . .
C71 C 0.4602(6) 0.6262(5) 0.9045(5) 0.106(3) Uani 1 1 d . . .
H71A H 0.3948 0.6283 0.8981 0.127 Uiso 1 1 calc R . .
C72 C 0.5079(11) 0.6002(7) 0.9661(6) 0.164(5) Uani 1 1 d . . .
H72A H 0.4760 0.5848 1.0018 0.197 Uiso 1 1 calc R . .
C73 C 0.6022(14) 0.5988(12) 0.9705(8) 0.218(9) Uani 1 1 d . . .
H73A H 0.6354 0.5869 1.0132 0.262 Uiso 1 1 calc R . .
C74 C 0.6513(10) 0.6126(12) 0.9210(10) 0.229(8) Uani 1 1 d . . .
H74A H 0.7151 0.6031 0.9248 0.275 Uiso 1 1 calc R . .
C75 C 0.6060(7) 0.6413(7) 0.8635(6) 0.154(4) Uani 1 1 d . . .
H75A H 0.6405 0.6568 0.8293 0.185 Uiso 1 1 calc R . .
C76 C 0.1617(4) 0.4035(3) 0.3503(3) 0.0662(17) Uani 1 1 d . . .
H76A H 0.2104 0.4254 0.3907 0.099 Uiso 1 1 calc R . .
H76B H 0.1053 0.4310 0.3551 0.099 Uiso 1 1 calc R . .
H76C H 0.1827 0.4112 0.3057 0.099 Uiso 1 1 calc R . .
C77 C 0.2359(4) 0.1676(3) 0.4579(3) 0.0575(15) Uani 1 1 d . . .
H77A H 0.2630 0.2115 0.4962 0.086 Uiso 1 1 calc R . .
H77B H 0.2851 0.1354 0.4428 0.086 Uiso 1 1 calc R . .
H77C H 0.1906 0.1343 0.4753 0.086 Uiso 1 1 calc R . .
C78 C 0.5890(17) 0.8630(14) 0.0026(13) 0.390(12) Uiso 1 1 d . . .
C79 C 0.6641(16) 0.8619(12) 0.0708(13) 0.295(9) Uiso 1 1 d . . .
C80 C 0.6385(13) 0.8770(11) 0.1337(12) 0.263(8) Uiso 1 1 d . . .
C81 C 0.7186(12) 0.8965(8) 0.1863(7) 0.203(5) Uiso 1 1 d . . .
C82 C 0.8111(9) 0.8939(7) 0.1637(7) 0.176(4) Uiso 1 1 d . . .
C83 C 0.8244(8) 0.8840(7) 0.0950(8) 0.177(4) Uiso 1 1 d . . .
C84 C 0.7489(12) 0.8786(9) 0.0363(8) 0.229(6) Uiso 1 1 d . . .
C85 C 0.6562(12) 0.3062(10) 0.8430(10) 0.285(7) Uiso 1 1 d . . .
C86 C 0.6669(7) 0.3366(8) 0.7870(5) 0.285(8) Uiso 1 1 d G . .
C87 C 0.7011(6) 0.2951(5) 0.7263(8) 0.188(4) Uiso 1 1 d G . .
C88 C 0.7048(6) 0.3321(8) 0.6647(5) 0.260(7) Uiso 1 1 d G . .
C89 C 0.6741(7) 0.4106(8) 0.6640(6) 0.235(6) Uiso 1 1 d G . .
C90 C 0.6399(6) 0.4521(5) 0.7248(8) 0.252(6) Uiso 1 1 d G . .
C91 C 0.6362(6) 0.4151(8) 0.7863(6) 0.217(5) Uiso 1 1 d G . .
O1 O 0.0687(3) 0.5139(2) 0.0983(2) 0.0804(13) Uani 1 1 d . . .
O2 O 0.4382(5) -0.0049(6) 0.1419(4) 0.253(5) Uani 1 1 d . . .
O3 O -0.2513(3) 0.3182(3) 0.0372(2) 0.0876(14) Uani 1 1 d . . .
O4 O 0.0895(4) -0.2249(2) 0.1911(3) 0.0994(15) Uani 1 1 d . . .
O5 O -0.1101(4) 0.4271(4) 0.5376(3) 0.169(3) Uani 1 1 d . . .
O6 O 0.1086(3) -0.1491(2) 0.4644(2) 0.0778(12) 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
C1 Ru1 N1 102.34(18) . . ?
C1 Ru1 N7 93.99(18) . . ?
N1 Ru1 N7 89.95(15) . . ?
C1 Ru1 N3 93.42(18) . . ?
N1 Ru1 N3 89.01(16) . . ?
N7 Ru1 N3 172.57(15) . . ?
C1 Ru1 N5 85.24(18) . . ?
N1 Ru1 N5 172.28(15) . . ?
N7 Ru1 N5 91.01(15) . . ?
N3 Ru1 N5 89.05(15) . . ?
C1 Ru1 Ru2 163.00(14) . . ?
N1 Ru1 Ru2 94.66(11) . . ?
N7 Ru1 Ru2 85.54(11) . . ?
N3 Ru1 Ru2 87.22(11) . . ?
N5 Ru1 Ru2 77.79(10) . . ?
C8 Ru2 N8 94.08(18) . . ?
C8 Ru2 N6 102.07(18) . . ?
N8 Ru2 N6 90.69(16) . . ?
C8 Ru2 N4 93.35(18) . . ?
N8 Ru2 N4 171.94(15) . . ?
N6 Ru2 N4 90.83(16) . . ?
C8 Ru2 N2 84.67(18) . . ?
N8 Ru2 N2 89.68(15) . . ?
N6 Ru2 N2 173.21(15) . . ?
N4 Ru2 N2 87.87(16) . . ?
C8 Ru2 Ru1 162.64(15) . . ?
N8 Ru2 Ru1 86.16(11) . . ?
N6 Ru2 Ru1 95.29(11) . . ?
N4 Ru2 Ru1 85.82(11) . . ?
N2 Ru2 Ru1 77.97(10) . . ?
C7 Si1 C4 107.5(3) . . ?
C7 Si1 C6 110.8(3) . . ?
C4 Si1 C6 111.1(3) . . ?
C7 Si1 C5 109.0(4) . . ?
C4 Si1 C5 108.9(3) . . ?
C6 Si1 C5 109.4(4) . . ?
C14 Si2 C11 112.2(4) . . ?
C14 Si2 C13 110.0(5) . . ?
C11 Si2 C13 106.1(3) . . ?
C14 Si2 C12 109.1(5) . . ?
C11 Si2 C12 107.5(4) . . ?
C13 Si2 C12 112.0(5) . . ?
C15 N1 C16 116.5(4) . . ?
C15 N1 Ru1 113.7(3) . . ?
C16 N1 Ru1 129.2(3) . . ?
C15 N2 C23 113.2(4) . . ?
C15 N2 Ru2 125.8(3) . . ?
C23 N2 Ru2 120.6(3) . . ?
C30 N3 C31 112.8(4) . . ?
C30 N3 Ru1 118.6(3) . . ?
C31 N3 Ru1 128.5(3) . . ?
C30 N4 C38 112.0(4) . . ?
C30 N4 Ru2 120.8(3) . . ?
C38 N4 Ru2 127.1(3) . . ?
C45 N5 C46 111.1(4) . . ?
C45 N5 Ru1 126.2(3) . . ?
C46 N5 Ru1 122.6(3) . . ?
C45 N6 C53 115.0(4) . . ?
C45 N6 Ru2 112.7(3) . . ?
C53 N6 Ru2 132.0(3) . . ?
C60 N7 C76 117.0(4) . . ?
C60 N7 Ru1 122.7(3) . . ?
C76 N7 Ru1 120.2(3) . . ?
C60 N8 C77 117.4(4) . . ?
C60 N8 Ru2 122.3(3) . . ?
C77 N8 Ru2 120.3(3) . . ?
N10 N9 C67 109.4(6) . . ?
N9 N10 N11 106.8(5) . . ?
N10 N11 C68 110.0(5) . . ?
N10 N11 C69 120.1(6) . . ?
C68 N11 C69 129.9(6) . . ?
C2 C1 Ru1 174.5(5) . . ?
C1 C2 C3 174.4(6) . . ?
C4 C3 C2 180.0(7) . . ?
C3 C4 Si1 172.5(5) . . ?
C9 C8 Ru2 174.2(5) . . ?
C8 C9 C10 173.5(6) . . ?
C11 C10 C9 177.9(7) . . ?
C10 C11 Si2 170.3(6) . . ?
N2 C15 N1 124.0(5) . . ?
C17 C16 C21 120.5(4) . . ?
C17 C16 N1 120.8(4) . . ?
C21 C16 N1 118.7(5) . . ?
C16 C17 C18 119.9(5) . . ?
C19 C18 C17 119.9(6) . . ?
C18 C19 C20 121.0(5) . . ?
O1 C20 C19 116.6(5) . . ?
O1 C20 C21 124.1(5) . . ?
C19 C20 C21 119.3(5) . . ?
C20 C21 C16 119.3(5) . . ?
C28 C23 C24 119.6(6) . . ?
C28 C23 N2 120.3(5) . . ?
C24 C23 N2 120.1(5) . . ?
C23 C24 C25 120.5(6) . . ?
C26 C25 C24 119.2(7) . . ?
C25 C26 C27 121.1(7) . . ?
C26 C27 O2 117.5(7) . . ?
C26 C27 C28 119.5(7) . . ?
O2 C27 C28 122.9(8) . . ?
C23 C28 C27 120.2(7) . . ?
N4 C30 N3 124.0(5) . . ?
C32 C31 C36 120.2(5) . . ?
C32 C31 N3 119.8(5) . . ?
C36 C31 N3 120.0(5) . . ?
C31 C32 C33 119.8(6) . . ?
C34 C33 C32 119.9(6) . . ?
C35 C34 C33 120.2(6) . . ?
C34 C35 O3 115.4(5) . . ?
C34 C35 C36 121.0(6) . . ?
O3 C35 C36 123.6(6) . . ?
C31 C36 C35 118.8(5) . . ?
C39 C38 C43 120.4(5) . . ?
C39 C38 N4 121.4(5) . . ?
C43 C38 N4 118.1(5) . . ?
C38 C39 C40 119.7(6) . . ?
C41 C40 C39 119.9(6) . . ?
C40 C41 C42 120.5(6) . . ?
O4 C42 C43 123.8(6) . . ?
O4 C42 C41 116.0(5) . . ?
C43 C42 C41 120.2(6) . . ?
C42 C43 C38 119.2(6) . . ?
N5 C45 N6 124.9(5) . . ?
C51 C46 C47 121.1(5) . . ?
C51 C46 N5 118.6(5) . . ?
C47 C46 N5 120.3(5) . . ?
C46 C47 C48 118.7(6) . . ?
C49 C48 C47 120.8(6) . . ?
C48 C49 C50 120.5(6) . . ?
O5 C50 C49 116.7(6) . . ?
O5 C50 C51 123.7(6) . . ?
C49 C50 C51 119.6(6) . . ?
C46 C51 C50 119.4(6) . . ?
C54 C53 C58 119.9(5) . . ?
C54 C53 N6 120.8(5) . . ?
C58 C53 N6 119.3(5) . . ?
C53 C54 C55 120.6(5) . . ?
C56 C55 C54 119.7(6) . . ?
C55 C56 C57 120.6(6) . . ?
O6 C57 C56 115.7(5) . . ?
O6 C57 C58 124.6(6) . . ?
C56 C57 C58 119.8(5) . . ?
C53 C58 C57 119.4(5) . . ?
N8 C60 N7 119.2(4) . . ?
N8 C60 C61 121.9(4) . . ?
N7 C60 C61 118.9(4) . . ?
C66 C61 C62 116.9(5) . . ?
C66 C61 C60 123.8(5) . . ?
C62 C61 C60 119.1(5) . . ?
C61 C62 C63 121.0(5) . . ?
C64 C63 C62 120.9(5) . . ?
C63 C64 C65 117.8(5) . . ?
C63 C64 C67 120.4(5) . . ?
C65 C64 C67 121.8(5) . . ?
C64 C65 C66 121.0(5) . . ?
C61 C66 C65 122.3(5) . . ?
N9 C67 C68 107.8(6) . . ?
N9 C67 C64 121.5(6) . . ?
C68 C67 C64 130.6(6) . . ?
N11 C68 C67 106.1(6) . . ?
N11 C69 C70 112.5(6) . . ?
C71 C70 C75 119.5(8) . . ?
C71 C70 C69 120.4(8) . . ?
C75 C70 C69 120.0(8) . . ?
C70 C71 C72 119.4(9) . . ?
C73 C72 C71 116.1(12) . . ?
C74 C73 C72 126.2(17) . . ?
C73 C74 C75 117.1(16) . . ?
C74 C75 C70 121.1(10) . . ?
C80 C79 C84 139(2) . . ?
C80 C79 C78 118(2) . . ?
C84 C79 C78 96.3(19) . . ?
C79 C80 C81 109(2) . . ?
C80 C81 C82 118.6(15) . . ?
C83 C82 C81 124.1(12) . . ?
C82 C83 C84 122.6(13) . . ?
C83 C84 C79 102.4(15) . . ?
C85 C86 C87 124.2(15) . . ?
C85 C86 C91 115.7(15) . . ?
C87 C86 C91 120.0 . . ?
C88 C87 C86 120.0 . . ?
C87 C88 C89 120.0 . . ?
C90 C89 C88 120.0 . . ?
C89 C90 C91 120.0 . . ?
C86 C91 C90 120.0 . . ?
C20 O1 C22 118.2(4) . . ?
C27 O2 C29 119.5(8) . . ?
C35 O3 C37 118.2(5) . . ?
C42 O4 C44 117.3(5) . . ?
C50 O5 C52 118.7(6) . . ?
C57 O6 C59 119.2(5) . . ?
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 C1 1.962(5) . ?
Ru1 N1 2.004(4) . ?
Ru1 N7 2.004(4) . ?
Ru1 N3 2.053(4) . ?
Ru1 N5 2.124(4) . ?
Ru1 Ru2 2.5509(5) . ?
Ru2 C8 1.957(5) . ?
Ru2 N8 2.004(4) . ?
Ru2 N6 2.005(4) . ?
Ru2 N4 2.058(4) . ?
Ru2 N2 2.120(4) . ?
Si1 C7 1.830(7) . ?
Si1 C4 1.832(6) . ?
Si1 C6 1.850(6) . ?
Si1 C5 1.859(7) . ?
Si2 C14 1.786(9) . ?
Si2 C11 1.810(6) . ?
Si2 C13 1.824(8) . ?
Si2 C12 1.871(8) . ?
N1 C15 1.322(6) . ?
N1 C16 1.432(5) . ?
N2 C15 1.311(5) . ?
N2 C23 1.453(6) . ?
N3 C30 1.346(6) . ?
N3 C31 1.447(6) . ?
N4 C30 1.319(6) . ?
N4 C38 1.441(6) . ?
N5 C45 1.308(5) . ?
N5 C46 1.466(6) . ?
N6 C45 1.324(6) . ?
N6 C53 1.441(6) . ?
N7 C60 1.348(5) . ?
N7 C76 1.490(6) . ?
N8 C60 1.338(6) . ?
N8 C77 1.481(5) . ?
N9 N10 1.319(7) . ?
N9 C67 1.338(7) . ?
N10 N11 1.329(7) . ?
N11 C68 1.342(7) . ?
N11 C69 1.472(7) . ?
C1 C2 1.211(6) . ?
C2 C3 1.382(7) . ?
C3 C4 1.209(6) . ?
C8 C9 1.222(6) . ?
C9 C10 1.375(7) . ?
C10 C11 1.218(7) . ?
C16 C17 1.366(7) . ?
C16 C21 1.394(7) . ?
C17 C18 1.390(7) . ?
C18 C19 1.365(7) . ?
C19 C20 1.383(7) . ?
C20 O1 1.359(6) . ?
C20 C21 1.391(6) . ?
C22 O1 1.402(7) . ?
C23 C28 1.346(7) . ?
C23 C24 1.353(7) . ?
C24 C25 1.412(8) . ?
C25 C26 1.323(9) . ?
C26 C27 1.363(9) . ?
C27 O2 1.371(9) . ?
C27 C28 1.397(8) . ?
C29 O2 1.426(14) . ?
C31 C32 1.378(7) . ?
C31 C36 1.390(6) . ?
C32 C33 1.391(7) . ?
C33 C34 1.386(8) . ?
C34 C35 1.351(8) . ?
C35 O3 1.364(6) . ?
C35 C36 1.400(7) . ?
C37 O3 1.411(7) . ?
C38 C39 1.368(7) . ?
C38 C43 1.397(7) . ?
C39 C40 1.397(8) . ?
C40 C41 1.363(8) . ?
C41 C42 1.384(8) . ?
C42 O4 1.362(6) . ?
C42 C43 1.376(7) . ?
C44 O4 1.422(8) . ?
C46 C51 1.351(7) . ?
C46 C47 1.361(7) . ?
C47 C48 1.394(8) . ?
C48 C49 1.334(8) . ?
C49 C50 1.364(8) . ?
C50 O5 1.358(7) . ?
C50 C51 1.395(8) . ?
C52 O5 1.419(9) . ?
C53 C54 1.375(7) . ?
C53 C58 1.389(6) . ?
C54 C55 1.378(7) . ?
C55 C56 1.375(8) . ?
C56 C57 1.379(7) . ?
C57 O6 1.370(6) . ?
C57 C58 1.393(7) . ?
C59 O6 1.407(7) . ?
C60 C61 1.491(6) . ?
C61 C66 1.363(6) . ?
C61 C62 1.382(7) . ?
C62 C63 1.399(7) . ?
C63 C64 1.367(7) . ?
C64 C65 1.374(7) . ?
C64 C67 1.471(7) . ?
C65 C66 1.376(7) . ?
C67 C68 1.345(7) . ?
C69 C70 1.516(8) . ?
C70 C71 1.341(9) . ?
C70 C75 1.376(11) . ?
C71 C72 1.404(12) . ?
C72 C73 1.343(17) . ?
C73 C74 1.292(17) . ?
C74 C75 1.350(14) . ?
C78 C79 1.55(2) . ?
C79 C80 1.28(2) . ?
C79 C84 1.50(2) . ?
C80 C81 1.385(17) . ?
C81 C82 1.453(15) . ?
C82 C83 1.324(14) . ?
C83 C84 1.415(14) . ?
C85 C86 1.271(17) . ?
C86 C87 1.409(4) . ?
C86 C91 1.409(4) . ?
C87 C88 1.409(4) . ?
C88 C89 1.409(4) . ?
C89 C90 1.409(4) . ?
C90 C91 1.409(4) . ?
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
C1 Ru1 Ru2 C8 -165.8(7) . . . . ?
N1 Ru1 Ru2 C8 12.8(5) . . . . ?
N7 Ru1 Ru2 C8 -76.7(5) . . . . ?
N3 Ru1 Ru2 C8 101.6(5) . . . . ?
N5 Ru1 Ru2 C8 -168.7(5) . . . . ?
C1 Ru1 Ru2 N8 -74.4(5) . . . . ?
N1 Ru1 Ru2 N8 104.22(16) . . . . ?
N7 Ru1 Ru2 N8 14.64(15) . . . . ?
N3 Ru1 Ru2 N8 -167.00(15) . . . . ?
N5 Ru1 Ru2 N8 -77.37(15) . . . . ?
C1 Ru1 Ru2 N6 15.9(5) . . . . ?
N1 Ru1 Ru2 N6 -165.44(16) . . . . ?
N7 Ru1 Ru2 N6 104.97(15) . . . . ?
N3 Ru1 Ru2 N6 -76.66(16) . . . . ?
N5 Ru1 Ru2 N6 12.97(15) . . . . ?
C1 Ru1 Ru2 N4 106.4(5) . . . . ?
N1 Ru1 Ru2 N4 -74.99(16) . . . . ?
N7 Ru1 Ru2 N4 -164.58(15) . . . . ?
N3 Ru1 Ru2 N4 13.79(16) . . . . ?
N5 Ru1 Ru2 N4 103.42(16) . . . . ?
C1 Ru1 Ru2 N2 -164.9(5) . . . . ?
N1 Ru1 Ru2 N2 13.72(15) . . . . ?
N7 Ru1 Ru2 N2 -75.86(15) . . . . ?
N3 Ru1 Ru2 N2 102.50(16) . . . . ?
N5 Ru1 Ru2 N2 -167.86(15) . . . . ?
C1 Ru1 N1 C15 166.2(3) . . . . ?
N7 Ru1 N1 C15 72.2(3) . . . . ?
N3 Ru1 N1 C15 -100.5(3) . . . . ?
N5 Ru1 N1 C15 -25.0(13) . . . . ?
Ru2 Ru1 N1 C15 -13.4(3) . . . . ?
C1 Ru1 N1 C16 -22.8(4) . . . . ?
N7 Ru1 N1 C16 -116.9(4) . . . . ?
N3 Ru1 N1 C16 70.4(4) . . . . ?
N5 Ru1 N1 C16 145.9(10) . . . . ?
Ru2 Ru1 N1 C16 157.6(4) . . . . ?
C8 Ru2 N2 C15 160.5(4) . . . . ?
N8 Ru2 N2 C15 -105.4(4) . . . . ?
N6 Ru2 N2 C15 -12.2(15) . . . . ?
N4 Ru2 N2 C15 66.9(4) . . . . ?
Ru1 Ru2 N2 C15 -19.3(4) . . . . ?
C8 Ru2 N2 C23 -12.2(4) . . . . ?
N8 Ru2 N2 C23 81.9(4) . . . . ?
N6 Ru2 N2 C23 175.1(12) . . . . ?
N4 Ru2 N2 C23 -105.8(4) . . . . ?
Ru1 Ru2 N2 C23 168.0(4) . . . . ?
C1 Ru1 N3 C30 -180.0(4) . . . . ?
N1 Ru1 N3 C30 77.7(4) . . . . ?
N7 Ru1 N3 C30 -4.3(14) . . . . ?
N5 Ru1 N3 C30 -94.8(4) . . . . ?
Ru2 Ru1 N3 C30 -17.0(4) . . . . ?
C1 Ru1 N3 C31 -0.6(4) . . . . ?
N1 Ru1 N3 C31 -102.9(4) . . . . ?
N7 Ru1 N3 C31 175.1(10) . . . . ?
N5 Ru1 N3 C31 84.6(4) . . . . ?
Ru2 Ru1 N3 C31 162.4(4) . . . . ?
C8 Ru2 N4 C30 -177.7(4) . . . . ?
N8 Ru2 N4 C30 -20.7(13) . . . . ?
N6 Ru2 N4 C30 80.2(4) . . . . ?
N2 Ru2 N4 C30 -93.1(4) . . . . ?
Ru1 Ru2 N4 C30 -15.0(4) . . . . ?
C8 Ru2 N4 C38 -2.7(4) . . . . ?
N8 Ru2 N4 C38 154.3(10) . . . . ?
N6 Ru2 N4 C38 -104.9(4) . . . . ?
N2 Ru2 N4 C38 81.8(4) . . . . ?
Ru1 Ru2 N4 C38 159.9(4) . . . . ?
C1 Ru1 N5 C45 164.9(4) . . . . ?
N1 Ru1 N5 C45 -4.1(14) . . . . ?
N7 Ru1 N5 C45 -101.2(4) . . . . ?
N3 Ru1 N5 C45 71.4(4) . . . . ?
Ru2 Ru1 N5 C45 -15.9(4) . . . . ?
C1 Ru1 N5 C46 -9.7(4) . . . . ?
N1 Ru1 N5 C46 -178.7(10) . . . . ?
N7 Ru1 N5 C46 84.2(4) . . . . ?
N3 Ru1 N5 C46 -103.2(4) . . . . ?
Ru2 Ru1 N5 C46 169.4(4) . . . . ?
C8 Ru2 N6 C45 166.1(3) . . . . ?
N8 Ru2 N6 C45 71.8(3) . . . . ?
N4 Ru2 N6 C45 -100.3(3) . . . . ?
N2 Ru2 N6 C45 -21.4(15) . . . . ?
Ru1 Ru2 N6 C45 -14.4(3) . . . . ?
C8 Ru2 N6 C53 -19.9(5) . . . . ?
N8 Ru2 N6 C53 -114.3(4) . . . . ?
N4 Ru2 N6 C53 73.7(4) . . . . ?
N2 Ru2 N6 C53 152.6(12) . . . . ?
Ru1 Ru2 N6 C53 159.5(4) . . . . ?
C1 Ru1 N7 C60 145.7(4) . . . . ?
N1 Ru1 N7 C60 -112.0(4) . . . . ?
N3 Ru1 N7 C60 -30.0(14) . . . . ?
N5 Ru1 N7 C60 60.4(4) . . . . ?
Ru2 Ru1 N7 C60 -17.3(3) . . . . ?
C1 Ru1 N7 C76 -36.2(4) . . . . ?
N1 Ru1 N7 C76 66.2(4) . . . . ?
N3 Ru1 N7 C76 148.1(11) . . . . ?
N5 Ru1 N7 C76 -121.5(4) . . . . ?
Ru2 Ru1 N7 C76 160.9(4) . . . . ?
C8 Ru2 N8 C60 145.1(4) . . . . ?
N6 Ru2 N8 C60 -112.8(4) . . . . ?
N4 Ru2 N8 C60 -11.9(13) . . . . ?
N2 Ru2 N8 C60 60.4(4) . . . . ?
Ru1 Ru2 N8 C60 -17.5(4) . . . . ?
C8 Ru2 N8 C77 -32.8(4) . . . . ?
N6 Ru2 N8 C77 69.4(4) . . . . ?
N4 Ru2 N8 C77 170.3(10) . . . . ?
N2 Ru2 N8 C77 -117.4(4) . . . . ?
Ru1 Ru2 N8 C77 164.6(3) . . . . ?
C67 N9 N10 N11 -0.8(8) . . . . ?
N9 N10 N11 C68 0.2(8) . . . . ?
N9 N10 N11 C69 -179.7(6) . . . . ?
N1 Ru1 C1 C2 -16(5) . . . . ?
N7 Ru1 C1 C2 75(5) . . . . ?
N3 Ru1 C1 C2 -106(5) . . . . ?
N5 Ru1 C1 C2 165(5) . . . . ?
Ru2 Ru1 C1 C2 163(5) . . . . ?
Ru1 C1 C2 C3 22(10) . . . . ?
C1 C2 C3 C4 163(100) . . . . ?
C2 C3 C4 Si1 -177(100) . . . . ?
C7 Si1 C4 C3 17(4) . . . . ?
C6 Si1 C4 C3 139(4) . . . . ?
C5 Si1 C4 C3 -101(4) . . . . ?
N8 Ru2 C8 C9 13(5) . . . . ?
N6 Ru2 C8 C9 -79(5) . . . . ?
N4 Ru2 C8 C9 -170(5) . . . . ?
N2 Ru2 C8 C9 102(5) . . . . ?
Ru1 Ru2 C8 C9 103(5) . . . . ?
Ru2 C8 C9 C10 -27(9) . . . . ?
C8 C9 C10 C11 11(22) . . . . ?
C9 C10 C11 Si2 -8(22) . . . . ?
C14 Si2 C11 C10 -151(4) . . . . ?
C13 Si2 C11 C10 -30(4) . . . . ?
C12 Si2 C11 C10 89(4) . . . . ?
C23 N2 C15 N1 -171.2(5) . . . . ?
Ru2 N2 C15 N1 15.6(7) . . . . ?
C16 N1 C15 N2 -169.8(4) . . . . ?
Ru1 N1 C15 N2 2.4(6) . . . . ?
C15 N1 C16 C17 54.3(7) . . . . ?
Ru1 N1 C16 C17 -116.4(5) . . . . ?
C15 N1 C16 C21 -125.2(5) . . . . ?
Ru1 N1 C16 C21 64.0(6) . . . . ?
C21 C16 C17 C18 0.9(8) . . . . ?
N1 C16 C17 C18 -178.7(5) . . . . ?
C16 C17 C18 C19 0.0(9) . . . . ?
C17 C18 C19 C20 0.0(9) . . . . ?
C18 C19 C20 O1 -179.8(5) . . . . ?
C18 C19 C20 C21 -0.8(9) . . . . ?
O1 C20 C21 C16 -179.4(5) . . . . ?
C19 C20 C21 C16 1.7(8) . . . . ?
C17 C16 C21 C20 -1.7(8) . . . . ?
N1 C16 C21 C20 177.8(4) . . . . ?
C15 N2 C23 C28 -78.8(7) . . . . ?
Ru2 N2 C23 C28 94.8(6) . . . . ?
C15 N2 C23 C24 102.1(5) . . . . ?
Ru2 N2 C23 C24 -84.3(5) . . . . ?
C28 C23 C24 C25 0.0(9) . . . . ?
N2 C23 C24 C25 179.2(5) . . . . ?
C23 C24 C25 C26 0.3(10) . . . . ?
C24 C25 C26 C27 -0.5(12) . . . . ?
C25 C26 C27 O2 -175.8(8) . . . . ?
C25 C26 C27 C28 0.4(13) . . . . ?
C24 C23 C28 C27 -0.1(10) . . . . ?
N2 C23 C28 C27 -179.3(6) . . . . ?
C26 C27 C28 C23 -0.1(12) . . . . ?
O2 C27 C28 C23 175.9(8) . . . . ?
C38 N4 C30 N3 -169.2(5) . . . . ?
Ru2 N4 C30 N3 6.4(7) . . . . ?
C31 N3 C30 N4 -168.7(5) . . . . ?
Ru1 N3 C30 N4 10.7(7) . . . . ?
C30 N3 C31 C32 52.9(6) . . . . ?
Ru1 N3 C31 C32 -126.5(5) . . . . ?
C30 N3 C31 C36 -125.1(5) . . . . ?
Ru1 N3 C31 C36 55.5(6) . . . . ?
C36 C31 C32 C33 -0.5(8) . . . . ?
N3 C31 C32 C33 -178.5(5) . . . . ?
C31 C32 C33 C34 1.2(9) . . . . ?
C32 C33 C34 C35 -1.3(10) . . . . ?
C33 C34 C35 O3 179.7(5) . . . . ?
C33 C34 C35 C36 0.7(9) . . . . ?
C32 C31 C36 C35 -0.2(8) . . . . ?
N3 C31 C36 C35 177.8(5) . . . . ?
C34 C35 C36 C31 0.0(8) . . . . ?
O3 C35 C36 C31 -178.9(5) . . . . ?
C30 N4 C38 C39 53.7(7) . . . . ?
Ru2 N4 C38 C39 -121.6(5) . . . . ?
C30 N4 C38 C43 -124.4(5) . . . . ?
Ru2 N4 C38 C43 60.3(6) . . . . ?
C43 C38 C39 C40 -0.6(9) . . . . ?
N4 C38 C39 C40 -178.6(5) . . . . ?
C38 C39 C40 C41 0.5(10) . . . . ?
C39 C40 C41 C42 -0.3(10) . . . . ?
C40 C41 C42 O4 177.8(6) . . . . ?
C40 C41 C42 C43 0.1(10) . . . . ?
O4 C42 C43 C38 -177.7(5) . . . . ?
C41 C42 C43 C38 -0.2(9) . . . . ?
C39 C38 C43 C42 0.5(9) . . . . ?
N4 C38 C43 C42 178.5(5) . . . . ?
C46 N5 C45 N6 -174.7(5) . . . . ?
Ru1 N5 C45 N6 10.1(7) . . . . ?
C53 N6 C45 N5 -168.8(4) . . . . ?
Ru2 N6 C45 N5 6.2(6) . . . . ?
C45 N5 C46 C51 96.1(6) . . . . ?
Ru1 N5 C46 C51 -88.5(5) . . . . ?
C45 N5 C46 C47 -79.9(6) . . . . ?
Ru1 N5 C46 C47 95.5(5) . . . . ?
C51 C46 C47 C48 -1.4(8) . . . . ?
N5 C46 C47 C48 174.4(5) . . . . ?
C46 C47 C48 C49 0.9(9) . . . . ?
C47 C48 C49 C50 -0.3(10) . . . . ?
C48 C49 C50 O5 179.9(7) . . . . ?
C48 C49 C50 C51 0.2(10) . . . . ?
C47 C46 C51 C50 1.4(9) . . . . ?
N5 C46 C51 C50 -174.6(5) . . . . ?
O5 C50 C51 C46 179.6(6) . . . . ?
C49 C50 C51 C46 -0.7(10) . . . . ?
C45 N6 C53 C54 42.1(7) . . . . ?
Ru2 N6 C53 C54 -131.8(5) . . . . ?
C45 N6 C53 C58 -137.5(5) . . . . ?
Ru2 N6 C53 C58 48.6(6) . . . . ?
C58 C53 C54 C55 1.9(8) . . . . ?
N6 C53 C54 C55 -177.7(5) . . . . ?
C53 C54 C55 C56 -1.1(9) . . . . ?
C54 C55 C56 C57 -0.6(9) . . . . ?
C55 C56 C57 O6 -179.2(5) . . . . ?
C55 C56 C57 C58 1.5(9) . . . . ?
C54 C53 C58 C57 -1.0(7) . . . . ?
N6 C53 C58 C57 178.6(4) . . . . ?
O6 C57 C58 C53 -179.9(5) . . . . ?
C56 C57 C58 C53 -0.7(8) . . . . ?
C77 N8 C60 N7 -172.4(4) . . . . ?
Ru2 N8 C60 N7 9.8(6) . . . . ?
C77 N8 C60 C61 7.5(7) . . . . ?
Ru2 N8 C60 C61 -170.4(3) . . . . ?
C76 N7 C60 N8 -168.9(4) . . . . ?
Ru1 N7 C60 N8 9.3(6) . . . . ?
C76 N7 C60 C61 11.3(7) . . . . ?
Ru1 N7 C60 C61 -170.5(3) . . . . ?
N8 C60 C61 C66 89.2(6) . . . . ?
N7 C60 C61 C66 -91.0(6) . . . . ?
N8 C60 C61 C62 -95.9(6) . . . . ?
N7 C60 C61 C62 83.9(6) . . . . ?
C66 C61 C62 C63 3.0(8) . . . . ?
C60 C61 C62 C63 -172.2(5) . . . . ?
C61 C62 C63 C64 -0.9(8) . . . . ?
C62 C63 C64 C65 -1.8(8) . . . . ?
C62 C63 C64 C67 176.0(5) . . . . ?
C63 C64 C65 C66 2.3(8) . . . . ?
C67 C64 C65 C66 -175.4(5) . . . . ?
C62 C61 C66 C65 -2.5(8) . . . . ?
C60 C61 C66 C65 172.4(5) . . . . ?
C64 C65 C66 C61 -0.1(8) . . . . ?
N10 N9 C67 C68 1.0(8) . . . . ?
N10 N9 C67 C64 176.9(6) . . . . ?
C63 C64 C67 N9 -166.9(6) . . . . ?
C65 C64 C67 N9 10.8(9) . . . . ?
C63 C64 C67 C68 8.0(9) . . . . ?
C65 C64 C67 C68 -174.3(6) . . . . ?
N10 N11 C68 C67 0.4(7) . . . . ?
C69 N11 C68 C67 -179.7(6) . . . . ?
N9 C67 C68 N11 -0.8(7) . . . . ?
C64 C67 C68 N11 -176.2(5) . . . . ?
N10 N11 C69 C70 -92.7(8) . . . . ?
C68 N11 C69 C70 87.4(9) . . . . ?
N11 C69 C70 C71 -105.4(8) . . . . ?
N11 C69 C70 C75 74.5(9) . . . . ?
C75 C70 C71 C72 2.6(13) . . . . ?
C69 C70 C71 C72 -177.4(8) . . . . ?
C70 C71 C72 C73 -0.2(18) . . . . ?
C71 C72 C73 C74 -6(3) . . . . ?
C72 C73 C74 C75 9(3) . . . . ?
C73 C74 C75 C70 -6(3) . . . . ?
C71 C70 C75 C74 0.6(17) . . . . ?
C69 C70 C75 C74 -179.4(12) . . . . ?
C84 C79 C80 C81 -20(4) . . . . ?
C78 C79 C80 C81 -162.7(17) . . . . ?
C79 C80 C81 C82 -2(2) . . . . ?
C80 C81 C82 C83 9(2) . . . . ?
C81 C82 C83 C84 3(2) . . . . ?
C82 C83 C84 C79 -16(2) . . . . ?
C80 C79 C84 C83 29(3) . . . . ?
C78 C79 C84 C83 176.7(15) . . . . ?
C85 C86 C87 C88 175.9(13) . . . . ?
C91 C86 C87 C88 0.0 . . . . ?
C86 C87 C88 C89 0.0 . . . . ?
C87 C88 C89 C90 0.0 . . . . ?
C88 C89 C90 C91 0.0 . . . . ?
C85 C86 C91 C90 -176.2(12) . . . . ?
C87 C86 C91 C90 0.0 . . . . ?
C89 C90 C91 C86 0.0 . . . . ?
C19 C20 O1 C22 -176.7(6) . . . . ?
C21 C20 O1 C22 4.4(9) . . . . ?
C26 C27 O2 C29 164.0(16) . . . . ?
C28 C27 O2 C29 -12(2) . . . . ?
C34 C35 O3 C37 174.3(6) . . . . ?
C36 C35 O3 C37 -6.7(8) . . . . ?
C43 C42 O4 C44 -4.8(10) . . . . ?
C41 C42 O4 C44 177.6(7) . . . . ?
C49 C50 O5 C52 166.7(9) . . . . ?
C51 C50 O5 C52 -13.6(13) . . . . ?
C56 C57 O6 C59 179.2(6) . . . . ?
C58 C57 O6 C59 -1.6(8) . . . . ?
