#------------------------------------------------------------------------------
#$Date: 2016-03-23 04:07:30 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179277 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/97/4319756.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_4319756
loop_
_publ_author_name
'Guolin Xu'
'Tong Ren'
_publ_contact_author_address
; Department of Chemistry 
  University of Miami 
  PO BOX 249118 
  Coral Gables, FL 33124-0431 
  USA 
;
_publ_contact_author_email       tren@miami.edu
_publ_contact_author_fax         '(305) 284-1880'
_publ_contact_author_name        'Dr. Ren, Tong'
_publ_contact_author_phone       '(305) 284-6617'
_publ_section_title
;
 Axial Butadiynyl Adducts on a Tetrakis-
 (di(m-methoxyphenyl)formamidinato)diruthenium Core: First Examples of M-M
 Bonded Complexes Containing σ-Poly-ynyl Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2925
_journal_page_last               2927
_journal_paper_doi               10.1021/ic0012930
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C37 H39 N4 O4 Ru Si'
_chemical_formula_weight         732.88
_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                92.7280(10)
_cell_angle_beta                 90.9210(10)
_cell_angle_gamma                103.1210(10)
_cell_formula_units_Z            2
_cell_length_a                   10.8663(4)
_cell_length_b                   10.8991(4)
_cell_length_c                   16.0803(6)
_cell_measurement_reflns_used    8009
_cell_measurement_temperature    300(2)
_cell_measurement_theta_max      31.44
_cell_measurement_theta_min      2.28
_cell_volume                     1851.91(12)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0249
_diffrn_reflns_av_sigmaI/netI    0.0381
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            11647
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.92
_exptl_absorpt_coefficient_mu    0.498
_exptl_absorpt_correction_T_max  0.933
_exptl_absorpt_correction_T_min  0.751
_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            black
_exptl_crystal_density_diffrn    1.314
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             758
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.368
_refine_diff_density_min         -0.374
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     461
_refine_ls_number_reflns         6506
_refine_ls_number_restraints     31
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0366
_refine_ls_R_factor_gt           0.0296
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0438P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0732
_refine_ls_wR_factor_ref         0.0764
_reflns_number_gt                5622
_reflns_number_total             6506
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0012930_1.cif
_cod_data_source_block           um143ss
_cod_database_code               4319756
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 0.968239(17) 0.044221(17) 1.070946(10) 0.02562(7) Uani 1 1 d . . .
N1 N 0.80383(17) -0.09304(18) 1.04688(11) 0.0290(4) Uani 1 1 d . . .
N2 N 1.03534(19) -0.07630(18) 1.13965(11) 0.0310(4) Uani 1 1 d . . .
N3 N 1.13583(18) 0.17237(19) 1.08118(11) 0.0306(4) Uani 1 1 d . . .
N4 N 0.90257(19) 0.16036(18) 0.98655(11) 0.0310(4) Uani 1 1 d . . .
O2 O 0.4478(2) 0.0015(2) 1.19808(16) 0.0708(7) Uani 1 1 d . . .
O4 O 0.8582(2) -0.0964(3) 1.41715(12) 0.0729(7) Uani 1 1 d . . .
O6 O 1.1933(3) 0.3503(2) 1.36693(12) 0.0886(9) Uani 1 1 d . . .
O8 O 0.8359(3) 0.5309(2) 1.14663(17) 0.0824(8) Uani 1 1 d . . .
C1 C 0.8863(2) 0.1241(2) 1.15811(14) 0.0338(5) Uani 1 1 d . . .
C2 C 0.8431(3) 0.1733(3) 1.21593(16) 0.0441(7) Uani 1 1 d . . .
C3 C 0.7921(3) 0.2329(3) 1.27906(18) 0.0577(8) Uani 1 1 d . A .
C4 C 0.7466(5) 0.2837(4) 1.3343(2) 0.0905(14) Uani 1 1 d D . .
Si Si 0.6510(5) 0.3591(6) 1.4061(3) 0.1254(18) Uani 0.555(10) 1 d PD A 1
C5 C 0.686(2) 0.3229(17) 1.5106(5) 0.237(14) Uani 0.555(10) 1 d PD A 1
H5A H 0.6382 0.3618 1.5491 0.356 Uiso 0.555(10) 1 calc PR A 1
H5B H 0.7749 0.3544 1.5231 0.356 Uiso 0.555(10) 1 calc PR A 1
H5C H 0.6646 0.2331 1.5154 0.356 Uiso 0.555(10) 1 calc PR A 1
C6 C 0.4851(8) 0.310(2) 1.3817(12) 0.47(3) Uani 0.555(10) 1 d PD A 1
H6A H 0.4395 0.3518 1.4201 0.707 Uiso 0.555(10) 1 calc PR A 1
H6B H 0.4582 0.2203 1.3858 0.707 Uiso 0.555(10) 1 calc PR A 1
H6C H 0.4689 0.3315 1.3260 0.707 Uiso 0.555(10) 1 calc PR A 1
C7 C 0.703(2) 0.5287(9) 1.3948(10) 0.38(3) Uani 0.555(10) 1 d PD A 1
H7A H 0.6566 0.5725 1.4311 0.569 Uiso 0.555(10) 1 calc PR A 1
H7B H 0.6895 0.5475 1.3382 0.569 Uiso 0.555(10) 1 calc PR A 1
H7C H 0.7919 0.5553 1.4092 0.569 Uiso 0.555(10) 1 calc PR A 1
SiB Si 0.7240(13) 0.3850(7) 1.4265(3) 0.152(4) Uani 0.445(10) 1 d PD A 2
C5B C 0.666(2) 0.5137(17) 1.3880(12) 0.46(4) Uani 0.445(10) 1 d PD A 2
H5BA H 0.6516 0.5679 1.4340 0.696 Uiso 0.445(10) 1 calc PR A 2
H5BB H 0.5875 0.4813 1.3574 0.696 Uiso 0.445(10) 1 calc PR A 2
H5BC H 0.7265 0.5608 1.3521 0.696 Uiso 0.445(10) 1 calc PR A 2
C6B C 0.602(2) 0.2815(19) 1.4823(12) 0.41(4) Uani 0.445(10) 1 d PD A 2
H6BA H 0.5826 0.3257 1.5318 0.617 Uiso 0.445(10) 1 calc PR A 2
H6BB H 0.6311 0.2086 1.4975 0.617 Uiso 0.445(10) 1 calc PR A 2
H6BC H 0.5271 0.2554 1.4474 0.617 Uiso 0.445(10) 1 calc PR A 2
C7B C 0.8628(19) 0.438(2) 1.4919(11) 0.301(19) Uani 0.445(10) 1 d PD A 2
H7BA H 0.8442 0.4889 1.5383 0.451 Uiso 0.445(10) 1 calc PR A 2
H7BB H 0.9291 0.4870 1.4605 0.451 Uiso 0.445(10) 1 calc PR A 2
H7BC H 0.8896 0.3663 1.5119 0.451 Uiso 0.445(10) 1 calc PR A 2
C8 C 0.7850(2) -0.1720(2) 0.98072(14) 0.0318(5) Uani 1 1 d . . .
H8A H 0.7094 -0.2328 0.9771 0.038 Uiso 1 1 calc R . .
C9 C 1.0896(2) -0.1544(2) 1.09587(14) 0.0322(5) Uani 1 1 d . . .
H9A H 1.1253 -0.2097 1.1253 0.039 Uiso 1 1 calc R . .
C21 C 1.0463(2) -0.0835(2) 1.22876(14) 0.0336(5) Uani 1 1 d . . .
C22 C 0.9416(3) -0.0868(2) 1.27746(14) 0.0381(6) Uani 1 1 d . . .
H22A H 0.8643 -0.0831 1.2533 0.046 Uiso 1 1 calc R . .
C23 C 0.9539(3) -0.0958(3) 1.36298(16) 0.0494(7) Uani 1 1 d . . .
C24 C 1.0684(3) -0.1034(4) 1.39879(17) 0.0654(10) Uani 1 1 d . . .
H24A H 1.0754 -0.1111 1.4559 0.078 Uiso 1 1 calc R . .
C25 C 1.1707(3) -0.0997(4) 1.35042(18) 0.0663(10) Uani 1 1 d . . .
H25A H 1.2474 -0.1047 1.3748 0.080 Uiso 1 1 calc R . .
C26 C 1.1613(3) -0.0882(3) 1.26445(17) 0.0495(7) Uani 1 1 d . . .
H26A H 1.2318 -0.0839 1.2317 0.059 Uiso 1 1 calc R . .
C27 C 0.7424(4) -0.0798(5) 1.3867(2) 0.0967(15) Uani 1 1 d . . .
H27A H 0.6847 -0.0834 1.4316 0.145 Uiso 1 1 calc R . .
H27B H 0.7084 -0.1454 1.3452 0.145 Uiso 1 1 calc R . .
H27C H 0.7545 0.0007 1.3625 0.145 Uiso 1 1 calc R . .
C31 C 1.1748(2) 0.2775(2) 1.14110(15) 0.0338(5) Uani 1 1 d . . .
C32 C 1.1634(3) 0.2569(3) 1.22547(15) 0.0423(6) Uani 1 1 d . . .
H32A H 1.1304 0.1764 1.2434 0.051 Uiso 1 1 calc R . .
C33 C 1.2021(3) 0.3587(3) 1.28263(16) 0.0558(8) Uani 1 1 d . . .
C34 C 1.2543(3) 0.4779(3) 1.25655(19) 0.0657(9) Uani 1 1 d . . .
H34A H 1.2823 0.5450 1.2953 0.079 Uiso 1 1 calc R . .
C35 C 1.2644(3) 0.4963(3) 1.17279(19) 0.0621(9) Uani 1 1 d . . .
H35A H 1.2987 0.5765 1.1549 0.075 Uiso 1 1 calc R . .
C36 C 1.2242(3) 0.3970(3) 1.11473(16) 0.0463(7) Uani 1 1 d . . .
H36A H 1.2303 0.4106 1.0581 0.056 Uiso 1 1 calc R . .
C37 C 1.1292(5) 0.2339(4) 1.3968(2) 0.1092(18) Uani 1 1 d . . .
H37A H 1.1309 0.2396 1.4566 0.164 Uiso 1 1 calc R . .
H37B H 1.1699 0.1687 1.3777 0.164 Uiso 1 1 calc R . .
H37C H 1.0430 0.2142 1.3764 0.164 Uiso 1 1 calc R . .
C41 C 0.8250(2) 0.2464(2) 1.01323(14) 0.0340(6) Uani 1 1 d . . .
C42 C 0.8748(3) 0.3498(2) 1.06672(16) 0.0428(6) Uani 1 1 d . . .
H42A H 0.9589 0.3662 1.0849 0.051 Uiso 1 1 calc R . .
C43 C 0.7972(3) 0.4288(3) 1.09291(18) 0.0518(7) Uani 1 1 d . . .
C44 C 0.6737(3) 0.4070(3) 1.06309(19) 0.0553(8) Uani 1 1 d . . .
H44A H 0.6225 0.4606 1.0803 0.066 Uiso 1 1 calc R . .
C45 C 0.6267(3) 0.3066(3) 1.00827(18) 0.0536(8) Uani 1 1 d . . .
H45A H 0.5441 0.2933 0.9874 0.064 Uiso 1 1 calc R . .
C46 C 0.7016(3) 0.2246(3) 0.98381(16) 0.0434(6) Uani 1 1 d . . .
H46A H 0.6689 0.1553 0.9477 0.052 Uiso 1 1 calc R . .
C47 C 0.9524(4) 0.5454(3) 1.1902(3) 0.0929(13) Uani 1 1 d . . .
H47A H 0.9680 0.6214 1.2252 0.139 Uiso 1 1 calc R . .
H47B H 1.0190 0.5503 1.1511 0.139 Uiso 1 1 calc R . .
H47C H 0.9496 0.4744 1.2238 0.139 Uiso 1 1 calc R . .
C11 C 0.7027(2) -0.1239(2) 1.10545(14) 0.0306(5) Uani 1 1 d . . .
C12 C 0.6257(2) -0.0411(3) 1.12192(16) 0.0380(6) Uani 1 1 d . . .
H12A H 0.6386 0.0350 1.0959 0.046 Uiso 1 1 calc R . .
C13 C 0.5295(2) -0.0729(3) 1.17744(17) 0.0444(6) Uani 1 1 d . . .
C14 C 0.5083(3) -0.1877(3) 1.21464(18) 0.0511(7) Uani 1 1 d . . .
H14A H 0.4426 -0.2091 1.2515 0.061 Uiso 1 1 calc R . .
C15 C 0.5840(3) -0.2695(3) 1.19716(17) 0.0495(7) Uani 1 1 d . . .
H15A H 0.5690 -0.3469 1.2216 0.059 Uiso 1 1 calc R . .
C16 C 0.6834(2) -0.2374(2) 1.14292(15) 0.0397(6) Uani 1 1 d . . .
H16A H 0.7363 -0.2921 1.1321 0.048 Uiso 1 1 calc R . .
C17 C 0.4692(4) 0.1233(4) 1.1660(3) 0.0872(13) Uani 1 1 d . . .
H17A H 0.4047 0.1647 1.1845 0.131 Uiso 1 1 calc R . .
H17B H 0.4672 0.1157 1.1062 0.131 Uiso 1 1 calc R . .
H17C H 0.5504 0.1720 1.1855 0.131 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'
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 N2 99.01(9) . . ?
C1 Ru1 N3 95.69(9) . . ?
N2 Ru1 N3 91.56(8) . . ?
C1 Ru1 N1 90.75(9) . . ?
N2 Ru1 N1 89.44(8) . . ?
N3 Ru1 N1 173.24(7) . . ?
C1 Ru1 N4 87.23(8) . . ?
N2 Ru1 N4 173.63(7) . . ?
N3 Ru1 N4 89.07(8) . . ?
N1 Ru1 N4 89.21(8) . . ?
C1 Ru1 Ru1 164.34(7) . 2_757 ?
N2 Ru1 Ru1 95.10(5) . 2_757 ?
N3 Ru1 Ru1 90.66(5) . 2_757 ?
N1 Ru1 Ru1 82.59(5) . 2_757 ?
N4 Ru1 Ru1 78.55(5) . 2_757 ?
C8 N1 C11 111.84(19) . . ?
C8 N1 Ru1 123.88(15) . . ?
C11 N1 Ru1 123.86(14) . . ?
C9 N2 C21 114.61(19) . . ?
C9 N2 Ru1 114.12(15) . . ?
C21 N2 Ru1 130.90(15) . . ?
C8 N3 C31 113.9(2) 2_757 . ?
C8 N3 Ru1 116.97(16) 2_757 . ?
C31 N3 Ru1 128.49(15) . . ?
C9 N4 C41 110.97(18) 2_757 . ?
C9 N4 Ru1 126.66(15) 2_757 . ?
C41 N4 Ru1 121.81(14) . . ?
C13 O2 C17 118.1(2) . . ?
C23 O4 C27 119.0(2) . . ?
C33 O6 C37 117.5(3) . . ?
C43 O8 C47 118.5(3) . . ?
C2 C1 Ru1 175.2(2) . . ?
C1 C2 C3 177.3(3) . . ?
C4 C3 C2 179.2(5) . . ?
C3 C4 Si 169.3(4) . . ?
C3 C4 SiB 163.6(6) . . ?
Si C4 SiB 26.0(3) . . ?
C6 Si C5 111.2(5) . . ?
C6 Si C7 109.5(5) . . ?
C5 Si C7 109.4(4) . . ?
C6 Si C4 112.4(5) . . ?
C5 Si C4 108.0(5) . . ?
C7 Si C4 106.2(6) . . ?
C7B SiB C5B 112.3(5) . . ?
C7B SiB C6B 110.1(5) . . ?
C5B SiB C6B 110.3(5) . . ?
C7B SiB C4 114.0(7) . . ?
C5B SiB C4 106.9(7) . . ?
C6B SiB C4 102.8(7) . . ?
N1 C8 N3 125.8(2) . 2_757 ?
N2 C9 N4 125.5(2) . 2_757 ?
C26 C21 C22 120.7(2) . . ?
C26 C21 N2 119.3(2) . . ?
C22 C21 N2 120.0(2) . . ?
C21 C22 C23 119.0(2) . . ?
O4 C23 C24 115.5(2) . . ?
O4 C23 C22 124.0(3) . . ?
C24 C23 C22 120.5(3) . . ?
C25 C24 C23 120.0(3) . . ?
C24 C25 C26 120.6(3) . . ?
C21 C26 C25 119.2(3) . . ?
C36 C31 C32 120.4(2) . . ?
C36 C31 N3 120.3(2) . . ?
C32 C31 N3 119.3(2) . . ?
C31 C32 C33 118.8(3) . . ?
O6 C33 C34 115.0(3) . . ?
O6 C33 C32 124.0(3) . . ?
C34 C33 C32 120.9(3) . . ?
C35 C34 C33 119.3(3) . . ?
C34 C35 C36 120.8(3) . . ?
C31 C36 C35 119.7(2) . . ?
C46 C41 C42 120.5(2) . . ?
C46 C41 N4 119.1(2) . . ?
C42 C41 N4 120.4(2) . . ?
C41 C42 C43 119.0(3) . . ?
O8 C43 C44 116.1(3) . . ?
O8 C43 C42 123.7(3) . . ?
C44 C43 C42 120.2(3) . . ?
C45 C44 C43 120.1(3) . . ?
C44 C45 C46 120.2(3) . . ?
C41 C46 C45 119.7(3) . . ?
C16 C11 C12 120.8(2) . . ?
C16 C11 N1 119.0(2) . . ?
C12 C11 N1 120.2(2) . . ?
C13 C12 C11 119.2(2) . . ?
O2 C13 C12 124.1(3) . . ?
O2 C13 C14 115.5(2) . . ?
C12 C13 C14 120.4(2) . . ?
C15 C14 C13 119.9(3) . . ?
C14 C15 C16 120.3(3) . . ?
C11 C16 C15 119.3(2) . . ?
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 1.947(2) . ?
Ru1 N2 2.0062(18) . ?
Ru1 N3 2.027(2) . ?
Ru1 N1 2.0709(19) . ?
Ru1 N4 2.1203(18) . ?
Ru1 Ru1 2.5990(3) 2_757 ?
N1 C8 1.319(3) . ?
N1 C11 1.450(3) . ?
N2 C9 1.323(3) . ?
N2 C21 1.443(3) . ?
N3 C8 1.327(3) 2_757 ?
N3 C31 1.443(3) . ?
N4 C9 1.329(3) 2_757 ?
N4 C41 1.451(3) . ?
O2 C13 1.367(3) . ?
O2 C17 1.418(4) . ?
O4 C23 1.366(3) . ?
O4 C27 1.395(4) . ?
O6 C33 1.366(3) . ?
O6 C37 1.412(4) . ?
O8 C43 1.358(4) . ?
O8 C47 1.410(5) . ?
C1 C2 1.206(3) . ?
C2 C3 1.371(4) . ?
C3 C4 1.196(4) . ?
C4 Si 1.850(4) . ?
C4 SiB 1.859(5) . ?
Si C6 1.791(8) . ?
Si C5 1.800(8) . ?
Si C7 1.825(8) . ?
SiB C7B 1.792(8) . ?
SiB C5B 1.797(8) . ?
SiB C6B 1.816(9) . ?
C8 N3 1.327(3) 2_757 ?
C9 N4 1.329(3) 2_757 ?
C21 C26 1.379(4) . ?
C21 C22 1.387(3) . ?
C22 C23 1.390(3) . ?
C23 C24 1.383(4) . ?
C24 C25 1.361(4) . ?
C25 C26 1.398(4) . ?
C31 C36 1.381(4) . ?
C31 C32 1.389(3) . ?
C32 C33 1.389(4) . ?
C33 C34 1.383(4) . ?
C34 C35 1.374(4) . ?
C35 C36 1.382(4) . ?
C41 C46 1.379(4) . ?
C41 C42 1.385(4) . ?
C42 C43 1.392(4) . ?
C43 C44 1.382(4) . ?
C44 C45 1.370(4) . ?
C45 C46 1.387(4) . ?
C11 C16 1.376(3) . ?
C11 C12 1.383(3) . ?
C12 C13 1.380(4) . ?
C13 C14 1.387(4) . ?
C14 C15 1.366(4) . ?
C15 C16 1.392(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 N1 C8 167.53(19) . . . . ?
N2 Ru1 N1 C8 -93.46(19) . . . . ?
N3 Ru1 N1 C8 5.1(7) . . . . ?
N4 Ru1 N1 C8 80.31(19) . . . . ?
Ru1 Ru1 N1 C8 1.75(17) 2_757 . . . ?
C1 Ru1 N1 C11 -20.43(18) . . . . ?
N2 Ru1 N1 C11 78.58(17) . . . . ?
N3 Ru1 N1 C11 177.1(6) . . . . ?
N4 Ru1 N1 C11 -107.65(17) . . . . ?
Ru1 Ru1 N1 C11 173.79(17) 2_757 . . . ?
C1 Ru1 N2 C9 174.85(18) . . . . ?
N3 Ru1 N2 C9 -89.14(18) . . . . ?
N1 Ru1 N2 C9 84.18(18) . . . . ?
N4 Ru1 N2 C9 6.4(8) . . . . ?
Ru1 Ru1 N2 C9 1.67(17) 2_757 . . . ?
C1 Ru1 N2 C21 -12.6(2) . . . . ?
N3 Ru1 N2 C21 83.4(2) . . . . ?
N1 Ru1 N2 C21 -103.3(2) . . . . ?
N4 Ru1 N2 C21 179(25) . . . . ?
Ru1 Ru1 N2 C21 174.2(2) 2_757 . . . ?
C1 Ru1 N3 C8 -164.92(17) . . . 2_757 ?
N2 Ru1 N3 C8 95.86(17) . . . 2_757 ?
N1 Ru1 N3 C8 -2.6(7) . . . 2_757 ?
N4 Ru1 N3 C8 -77.80(17) . . . 2_757 ?
Ru1 Ru1 N3 C8 0.74(16) 2_757 . . 2_757 ?
C1 Ru1 N3 C31 5.1(2) . . . . ?
N2 Ru1 N3 C31 -94.17(19) . . . . ?
N1 Ru1 N3 C31 167.4(5) . . . . ?
N4 Ru1 N3 C31 92.17(19) . . . . ?
Ru1 Ru1 N3 C31 170.71(19) 2_757 . . . ?
C1 Ru1 N4 C9 -172.8(2) . . . 2_757 ?
N2 Ru1 N4 C9 -4.3(8) . . . 2_757 ?
N3 Ru1 N4 C9 91.4(2) . . . 2_757 ?
N1 Ru1 N4 C9 -82.1(2) . . . 2_757 ?
Ru1 Ru1 N4 C9 0.5(2) 2_757 . . 2_757 ?
C1 Ru1 N4 C41 -2.21(19) . . . . ?
N2 Ru1 N4 C41 166.3(6) . . . . ?
N3 Ru1 N4 C41 -97.96(19) . . . . ?
N1 Ru1 N4 C41 88.58(19) . . . . ?
Ru1 Ru1 N4 C41 171.18(19) 2_757 . . . ?
N2 Ru1 C1 C2 39(3) . . . . ?
N3 Ru1 C1 C2 -53(3) . . . . ?
N1 Ru1 C1 C2 129(3) . . . . ?
N4 Ru1 C1 C2 -142(3) . . . . ?
Ru1 Ru1 C1 C2 -167(3) 2_757 . . . ?
Ru1 C1 C2 C3 140(6) . . . . ?
C1 C2 C3 C4 118(30) . . . . ?
C2 C3 C4 Si -74(32) . . . . ?
C2 C3 C4 SiB 138(31) . . . . ?
C3 C4 Si C6 24(3) . . . . ?
SiB C4 Si C6 -175.5(12) . . . . ?
C3 C4 Si C5 147(2) . . . . ?
SiB C4 Si C5 -52.5(10) . . . . ?
C3 C4 Si C7 -95(3) . . . . ?
SiB C4 Si C7 64.8(10) . . . . ?
C3 C4 SiB C7B -21.0(18) . . . . ?
Si C4 SiB C7B 172.0(13) . . . . ?
C3 C4 SiB C5B 103.8(17) . . . . ?
Si C4 SiB C5B -63.3(11) . . . . ?
C3 C4 SiB C6B -140.0(16) . . . . ?
Si C4 SiB C6B 52.9(11) . . . . ?
C11 N1 C8 N3 -176.0(2) . . . 2_757 ?
Ru1 N1 C8 N3 -3.1(3) . . . 2_757 ?
C21 N2 C9 N4 -176.4(2) . . . 2_757 ?
Ru1 N2 C9 N4 -2.6(3) . . . 2_757 ?
C9 N2 C21 C26 44.7(3) . . . . ?
Ru1 N2 C21 C26 -127.8(2) . . . . ?
C9 N2 C21 C22 -134.6(3) . . . . ?
Ru1 N2 C21 C22 52.9(3) . . . . ?
C26 C21 C22 C23 -0.4(4) . . . . ?
N2 C21 C22 C23 179.0(3) . . . . ?
C27 O4 C23 C24 175.4(4) . . . . ?
C27 O4 C23 C22 -3.9(5) . . . . ?
C21 C22 C23 O4 178.2(3) . . . . ?
C21 C22 C23 C24 -1.1(5) . . . . ?
O4 C23 C24 C25 -178.0(3) . . . . ?
C22 C23 C24 C25 1.3(5) . . . . ?
C23 C24 C25 C26 0.0(6) . . . . ?
C22 C21 C26 C25 1.6(5) . . . . ?
N2 C21 C26 C25 -177.8(3) . . . . ?
C24 C25 C26 C21 -1.4(5) . . . . ?
C8 N3 C31 C36 42.1(3) 2_757 . . . ?
Ru1 N3 C31 C36 -128.1(2) . . . . ?
C8 N3 C31 C32 -137.3(2) 2_757 . . . ?
Ru1 N3 C31 C32 52.5(3) . . . . ?
C36 C31 C32 C33 0.2(4) . . . . ?
N3 C31 C32 C33 179.5(3) . . . . ?
C37 O6 C33 C34 173.7(4) . . . . ?
C37 O6 C33 C32 -6.8(6) . . . . ?
C31 C32 C33 O6 178.8(3) . . . . ?
C31 C32 C33 C34 -1.8(5) . . . . ?
O6 C33 C34 C35 -178.5(3) . . . . ?
C32 C33 C34 C35 2.0(6) . . . . ?
C33 C34 C35 C36 -0.6(6) . . . . ?
C32 C31 C36 C35 1.1(4) . . . . ?
N3 C31 C36 C35 -178.2(3) . . . . ?
C34 C35 C36 C31 -0.9(5) . . . . ?
C9 N4 C41 C46 58.2(3) 2_757 . . . ?
Ru1 N4 C41 C46 -113.7(2) . . . . ?
C9 N4 C41 C42 -121.0(2) 2_757 . . . ?
Ru1 N4 C41 C42 67.0(3) . . . . ?
C46 C41 C42 C43 2.4(4) . . . . ?
N4 C41 C42 C43 -178.4(2) . . . . ?
C47 O8 C43 C44 169.1(3) . . . . ?
C47 O8 C43 C42 -12.0(5) . . . . ?
C41 C42 C43 O8 178.5(3) . . . . ?
C41 C42 C43 C44 -2.6(4) . . . . ?
O8 C43 C44 C45 179.7(3) . . . . ?
C42 C43 C44 C45 0.7(4) . . . . ?
C43 C44 C45 C46 1.5(4) . . . . ?
C42 C41 C46 C45 -0.3(4) . . . . ?
N4 C41 C46 C45 -179.5(2) . . . . ?
C44 C45 C46 C41 -1.7(4) . . . . ?
C8 N1 C11 C16 63.6(3) . . . . ?
Ru1 N1 C11 C16 -109.3(2) . . . . ?
C8 N1 C11 C12 -115.2(2) . . . . ?
Ru1 N1 C11 C12 71.9(3) . . . . ?
C16 C11 C12 C13 0.7(4) . . . . ?
N1 C11 C12 C13 179.5(2) . . . . ?
C17 O2 C13 C12 -5.4(5) . . . . ?
C17 O2 C13 C14 176.2(3) . . . . ?
C11 C12 C13 O2 -179.8(3) . . . . ?
C11 C12 C13 C14 -1.6(4) . . . . ?
O2 C13 C14 C15 179.2(3) . . . . ?
C12 C13 C14 C15 0.8(4) . . . . ?
C13 C14 C15 C16 0.8(4) . . . . ?
C12 C11 C16 C15 0.9(4) . . . . ?
N1 C11 C16 C15 -177.9(2) . . . . ?
C14 C15 C16 C11 -1.7(4) . . . . ?
