#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:41:29 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178529 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/34/4063428.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_4063428
loop_
_publ_author_name
'Shima, Takanori'
'Namura, Kyo'
'Kameo, Hajime'
'Kakuta, Satoshi'
'Suzuki, Hiroharu'
_publ_contact_author_address
;
       Hiroharu Suzuki
    Department of Applied Chemistry,
       Graduate School of Science and Engineering,
       Tokyo Institute of Technology,
       O-okayama, Meguro-ku, Tokyo
       152-8552, Japan 

;
_publ_contact_author_email       hiroharu@o.cc.titech.ac.jp
_publ_contact_author_fax         '+81 3 5734 3913'
_publ_contact_author_phone       '+81 3 5734 2148'
_publ_section_title
;
 Synthesis and Structure of a Novel Ruthenium Hydrido Bis(dihydrogen)
 Complex with 1,4,7-Trimethyl-1,4,7-triazacyclononane Ligand: A Useful
 Precursor for Synthesis of Heterometallic Complexes
;
_journal_issue                   2
_journal_name_full               Organometallics
_journal_page_first              337
_journal_paper_doi               10.1021/om900692j
_journal_volume                  29
_journal_year                    2010
_chemical_formula_sum            'C43 H60 B N3 Os Ru'
_chemical_formula_weight         921.02
_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                91.561(2)
_cell_angle_beta                 93.371(2)
_cell_angle_gamma                100.850(2)
_cell_formula_units_Z            2
_cell_length_a                   11.1261(6)
_cell_length_b                   11.2942(5)
_cell_length_c                   16.5755(6)
_cell_measurement_temperature    243(2)
_cell_volume                     2040.55(16)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'SHELXS-97 (Sheldrick, 1990)'
_computing_molecular_graphics    'ORTEX (P.McArdle, 1995)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SHELXS-97
_diffrn_ambient_temperature      243(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID Imaging Plate'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku Rotating Anode Ultrax18'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0263
_diffrn_reflns_av_sigmaI/netI    0.0280
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            15016
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.25
_exptl_absorpt_coefficient_mu    3.513
_exptl_absorpt_correction_T_max  0.7202
_exptl_absorpt_correction_T_min  0.4188
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.499
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             928
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.135
_refine_diff_density_min         -0.892
_refine_diff_density_rms         0.111
_refine_ls_extinction_coef       0.0157(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     463
_refine_ls_number_reflns         9157
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0334
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0457P)²+2.8553P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0835
_refine_ls_wR_factor_ref         0.0856
_reflns_number_gt                8403
_reflns_number_total             9157
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om900692j_si_002.cif
_cod_data_source_block           complex4BPh4
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4063428
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
Os1 Os 0.048221(13) 0.220842(13) 0.133540(8) 0.03758(7) Uani 1 1 d D . .
Ru1 Ru 0.17753(3) 0.18308(2) 0.248123(17) 0.03322(8) Uani 1 1 d D . .
N1 N 0.1968(3) 0.0174(3) 0.3011(2) 0.0450(8) Uani 1 1 d . . .
N2 N 0.1860(5) 0.2386(4) 0.3721(2) 0.0685(13) Uani 1 1 d . . .
N3 N 0.3716(3) 0.2179(4) 0.2721(3) 0.0618(11) Uani 1 1 d . . .
C1 C 0.0322(4) 0.2612(4) 0.0037(2) 0.0476(9) Uani 1 1 d . . .
C2 C -0.0890(4) 0.2165(4) 0.0269(3) 0.0499(10) Uani 1 1 d . . .
C3 C -0.1173(4) 0.2911(5) 0.0902(3) 0.0550(11) Uani 1 1 d . . .
C4 C -0.0152(5) 0.3878(4) 0.1057(3) 0.0547(11) Uani 1 1 d . . .
C5 C 0.0782(4) 0.3688(4) 0.0516(3) 0.0518(10) Uani 1 1 d . . .
C6 C 0.0957(5) 0.2106(5) -0.0636(3) 0.0624(12) Uani 1 1 d . . .
H6A H 0.0679 0.1238 -0.0689 0.094 Uiso 1 1 calc R . .
H6B H 0.1836 0.2286 -0.0512 0.094 Uiso 1 1 calc R . .
H6C H 0.0763 0.2467 -0.1140 0.094 Uiso 1 1 calc R . .
C7 C -0.1747(5) 0.1076(6) -0.0121(4) 0.0725(15) Uani 1 1 d . . .
H7A H -0.1272 0.0516 -0.0335 0.109 Uiso 1 1 calc R . .
H7B H -0.2249 0.1331 -0.0557 0.109 Uiso 1 1 calc R . .
H7C H -0.2272 0.0684 0.0279 0.109 Uiso 1 1 calc R . .
C8 C -0.2376(5) 0.2786(7) 0.1281(4) 0.0808(18) Uani 1 1 d . . .
H8A H -0.2775 0.1944 0.1259 0.121 Uiso 1 1 calc R . .
H8B H -0.2894 0.3253 0.0989 0.121 Uiso 1 1 calc R . .
H8C H -0.2238 0.3081 0.1840 0.121 Uiso 1 1 calc R . .
C9 C -0.0095(7) 0.4937(5) 0.1631(4) 0.0818(19) Uani 1 1 d . . .
H9A H 0.0735 0.5184 0.1869 0.123 Uiso 1 1 calc R . .
H9B H -0.0650 0.4713 0.2055 0.123 Uiso 1 1 calc R . .
H9C H -0.0333 0.5599 0.1340 0.123 Uiso 1 1 calc R . .
C10 C 0.1983(6) 0.4521(5) 0.0430(4) 0.0728(15) Uani 1 1 d . . .
H10A H 0.2335 0.4833 0.0960 0.109 Uiso 1 1 calc R . .
H10B H 0.1851 0.5185 0.0098 0.109 Uiso 1 1 calc R . .
H10C H 0.2539 0.4082 0.0176 0.109 Uiso 1 1 calc R . .
C11 C 0.4347(5) 0.2867(6) 0.2074(4) 0.0790(17) Uani 1 1 d . . .
H11A H 0.4085 0.2450 0.1556 0.119 Uiso 1 1 calc R . .
H11B H 0.5226 0.2939 0.2171 0.119 Uiso 1 1 calc R . .
H11C H 0.4144 0.3666 0.2070 0.119 Uiso 1 1 calc R . .
C12 C 0.1206(5) -0.0858(4) 0.2530(3) 0.0610(12) Uani 1 1 d . . .
H12A H 0.0355 -0.0764 0.2500 0.092 Uiso 1 1 calc R . .
H12B H 0.1275 -0.1606 0.2786 0.092 Uiso 1 1 calc R . .
H12C H 0.1489 -0.0877 0.1988 0.092 Uiso 1 1 calc R . .
C13 C 0.0909(6) 0.3117(5) 0.3874(3) 0.0696(14) Uani 1 1 d . . .
H13A H 0.0996 0.3789 0.3516 0.104 Uiso 1 1 calc R . .
H13B H 0.1011 0.3421 0.4431 0.104 Uiso 1 1 calc R . .
H13C H 0.0101 0.2617 0.3773 0.104 Uiso 1 1 calc R . .
C14 C 0.4134(12) 0.1184(12) 0.3056(9) 0.078(3) Uiso 0.50 1 d P . .
C14A C 0.4071(7) 0.0864(7) 0.2591(5) 0.0390(15) Uiso 0.50 1 d P . .
C15 C 0.3283(5) 0.0059(5) 0.3048(6) 0.092(2) Uani 1 1 d . . .
C16 C 0.1519(6) 0.0202(5) 0.3837(3) 0.0747(17) Uani 1 1 d . . .
C17 C 0.1991(8) 0.1450(7) 0.4271(5) 0.0437(17) Uiso 0.50 1 d P . .
C17A C 0.1137(15) 0.1065(14) 0.4137(10) 0.092(4) Uiso 0.50 1 d P . .
C18 C 0.2847(12) 0.2795(12) 0.4150(8) 0.078(3) Uiso 0.50 1 d P . .
C18A C 0.3196(8) 0.3333(7) 0.3793(5) 0.0376(15) Uiso 0.50 1 d P . .
C19 C 0.3669(11) 0.3234(10) 0.3564(7) 0.058(2) Uiso 0.50 1 d P . .
C19A C 0.4195(7) 0.2711(7) 0.3458(5) 0.0400(15) Uiso 0.50 1 d P . .
C20 C 0.2862(4) 0.3128(4) 0.6699(3) 0.0416(8) Uani 1 1 d . . .
C21 C 0.1663(4) 0.2597(4) 0.6441(3) 0.0436(8) Uani 1 1 d . . .
H21 H 0.1444 0.1751 0.6431 0.052 Uiso 1 1 calc R . .
C22 C 0.0776(4) 0.3246(5) 0.6199(3) 0.0584(12) Uani 1 1 d . . .
H22 H -0.0019 0.2836 0.6032 0.070 Uiso 1 1 calc R . .
C23 C 0.1043(5) 0.4479(5) 0.6202(4) 0.0721(16) Uani 1 1 d . . .
H23 H 0.0438 0.4920 0.6041 0.087 Uiso 1 1 calc R . .
C24 C 0.2212(6) 0.5060(5) 0.6444(4) 0.0777(18) Uani 1 1 d . . .
H24 H 0.2414 0.5907 0.6448 0.093 Uiso 1 1 calc R . .
C25 C 0.3098(5) 0.4397(4) 0.6682(4) 0.0655(14) Uani 1 1 d . . .
H25 H 0.3894 0.4816 0.6840 0.079 Uiso 1 1 calc R . .
C26 C 0.3511(3) 0.0973(4) 0.6651(2) 0.0389(8) Uani 1 1 d . . .
C27 C 0.2657(4) 0.0151(4) 0.7045(3) 0.0513(10) Uani 1 1 d . . .
H27 H 0.2370 0.0410 0.7530 0.062 Uiso 1 1 calc R . .
C28 C 0.2213(5) -0.1020(4) 0.6757(3) 0.0596(12) Uani 1 1 d . . .
H28 H 0.1645 -0.1538 0.7047 0.072 Uiso 1 1 calc R . .
C29 C 0.2610(5) -0.1432(4) 0.6038(3) 0.0584(12) Uani 1 1 d . . .
H29 H 0.2305 -0.2223 0.5835 0.070 Uiso 1 1 calc R . .
C30 C 0.3455(4) -0.0662(4) 0.5629(3) 0.0476(9) Uani 1 1 d . . .
H30 H 0.3733 -0.0927 0.5144 0.057 Uiso 1 1 calc R . .
C31 C 0.3895(3) 0.0509(4) 0.5937(2) 0.0400(8) Uani 1 1 d . . .
H31 H 0.4479 0.1015 0.5651 0.048 Uiso 1 1 calc R . .
C32 C 0.5223(3) 0.2982(3) 0.6578(2) 0.0393(8) Uani 1 1 d . . .
C33 C 0.5218(4) 0.3327(4) 0.5775(3) 0.0482(9) Uani 1 1 d . . .
H33 H 0.4455 0.3281 0.5487 0.058 Uiso 1 1 calc R . .
C34 C 0.6268(4) 0.3733(4) 0.5378(3) 0.0518(10) Uani 1 1 d . . .
H34 H 0.6207 0.3952 0.4836 0.062 Uiso 1 1 calc R . .
C35 C 0.7399(4) 0.3815(4) 0.5777(3) 0.0519(10) Uani 1 1 d . . .
H35 H 0.8118 0.4062 0.5506 0.062 Uiso 1 1 calc R . .
C36 C 0.7466(4) 0.3530(4) 0.6579(3) 0.0497(10) Uani 1 1 d . . .
H36 H 0.8234 0.3610 0.6865 0.060 Uiso 1 1 calc R . .
C37 C 0.6393(4) 0.3123(4) 0.6970(3) 0.0443(9) Uani 1 1 d . . .
H37 H 0.6460 0.2937 0.7518 0.053 Uiso 1 1 calc R . .
C38 C 0.4184(4) 0.2457(6) 0.7971(3) 0.0601(13) Uani 1 1 d . . .
C39 C 0.4577(6) 0.1556(8) 0.8395(3) 0.092(2) Uani 1 1 d . . .
H39 H 0.4630 0.0828 0.8122 0.111 Uiso 1 1 calc R . .
C40 C 0.4898(7) 0.1705(14) 0.9221(5) 0.146(5) Uani 1 1 d . . .
H40 H 0.5172 0.1076 0.9493 0.175 Uiso 1 1 calc R . .
C41 C 0.4826(8) 0.2722(17) 0.9639(4) 0.174(7) Uani 1 1 d . . .
H41 H 0.5016 0.2791 1.0200 0.208 Uiso 1 1 calc R . .
C42 C 0.4469(8) 0.3669(13) 0.9233(5) 0.145(5) Uani 1 1 d . . .
H42 H 0.4460 0.4403 0.9511 0.174 Uiso 1 1 calc R . .
C43 C 0.4128(6) 0.3524(8) 0.8422(4) 0.094(2) Uani 1 1 d . . .
H43 H 0.3848 0.4155 0.8157 0.113 Uiso 1 1 calc R . .
B1 B 0.3937(4) 0.2379(4) 0.6982(3) 0.0396(9) Uani 1 1 d . . .
H1 H -0.011(4) 0.092(4) 0.104(3) 0.046(12) Uiso 1 1 d . . .
H2 H 0.178(3) 0.149(3) 0.1432(16) 0.031(9) Uiso 1 1 d D . .
H3 H 0.017(2) 0.160(4) 0.2296(18) 0.044(12) Uiso 1 1 d D . .
H4 H 0.148(4) 0.317(2) 0.207(2) 0.048(12) Uiso 1 1 d 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'
B B 0.0013 0.0007 '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'
Os Os -1.2165 7.6030 '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
C5 Os1 C4 38.98(19) . . ?
C5 Os1 C1 37.94(16) . . ?
C4 Os1 C1 64.00(17) . . ?
C5 Os1 C3 63.65(19) . . ?
C4 Os1 C3 37.67(19) . . ?
C1 Os1 C3 63.08(17) . . ?
C5 Os1 C2 62.26(17) . . ?
C4 Os1 C2 62.10(17) . . ?
C1 Os1 C2 37.16(17) . . ?
C3 Os1 C2 36.74(17) . . ?
C5 Os1 Ru1 128.55(12) . . ?
C4 Os1 Ru1 128.06(12) . . ?
C1 Os1 Ru1 147.83(12) . . ?
C3 Os1 Ru1 146.88(12) . . ?
C2 Os1 Ru1 168.53(12) . . ?
N2 Ru1 N1 80.85(15) . . ?
N2 Ru1 N3 80.9(2) . . ?
N1 Ru1 N3 80.94(14) . . ?
N2 Ru1 Os1 131.86(11) . . ?
N1 Ru1 Os1 130.09(9) . . ?
N3 Ru1 Os1 132.45(12) . . ?
C16 N1 C12 109.1(4) . . ?
C16 N1 C15 110.7(5) . . ?
C12 N1 C15 110.3(4) . . ?
C16 N1 Ru1 107.2(3) . . ?
C12 N1 Ru1 110.1(3) . . ?
C15 N1 Ru1 109.5(3) . . ?
C18 N2 C17 75.2(7) . . ?
C18 N2 C13 110.7(7) . . ?
C17 N2 C13 117.5(5) . . ?
C18 N2 C18A 33.0(6) . . ?
C17 N2 C18A 105.7(5) . . ?
C13 N2 C18A 106.5(5) . . ?
C18 N2 C17A 108.3(9) . . ?
C17 N2 C17A 34.2(6) . . ?
C13 N2 C17A 97.3(7) . . ?
C18A N2 C17A 139.9(6) . . ?
C18 N2 Ru1 124.7(7) . . ?
C17 N2 Ru1 114.1(4) . . ?
C13 N2 Ru1 110.8(3) . . ?
C18A N2 Ru1 100.1(4) . . ?
C17A N2 Ru1 100.8(6) . . ?
C19A N3 C14 81.5(7) . . ?
C19A N3 C11 108.7(5) . . ?
C14 N3 C11 121.9(7) . . ?
C19A N3 C14A 111.2(5) . . ?
C14 N3 C14A 31.0(6) . . ?
C11 N3 C14A 102.4(5) . . ?
C19A N3 C19 29.8(4) . . ?
C14 N3 C19 106.2(7) . . ?
C11 N3 C19 107.6(5) . . ?
C14A N3 C19 137.2(5) . . ?
C19A N3 Ru1 118.5(4) . . ?
C14 N3 Ru1 112.1(6) . . ?
C11 N3 Ru1 111.5(3) . . ?
C14A N3 Ru1 103.3(3) . . ?
C19 N3 Ru1 93.4(4) . . ?
C2 C1 C5 106.9(4) . . ?
C2 C1 C6 126.6(4) . . ?
C5 C1 C6 126.3(4) . . ?
C2 C1 Os1 73.1(2) . . ?
C5 C1 Os1 69.4(2) . . ?
C6 C1 Os1 126.6(3) . . ?
C3 C2 C1 109.8(4) . . ?
C3 C2 C7 125.4(5) . . ?
C1 C2 C7 124.8(4) . . ?
C3 C2 Os1 70.4(2) . . ?
C1 C2 Os1 69.7(2) . . ?
C7 C2 Os1 127.5(4) . . ?
C2 C3 C4 107.7(4) . . ?
C2 C3 C8 126.2(5) . . ?
C4 C3 C8 125.8(5) . . ?
C2 C3 Os1 72.8(2) . . ?
C4 C3 Os1 69.5(2) . . ?
C8 C3 Os1 127.9(4) . . ?
C3 C4 C5 107.4(4) . . ?
C3 C4 C9 126.0(5) . . ?
C5 C4 C9 126.5(5) . . ?
C3 C4 Os1 72.8(3) . . ?
C5 C4 Os1 70.0(2) . . ?
C9 C4 Os1 125.8(3) . . ?
C1 C5 C4 108.1(4) . . ?
C1 C5 C10 125.5(5) . . ?
C4 C5 C10 126.2(5) . . ?
C1 C5 Os1 72.7(2) . . ?
C4 C5 Os1 71.0(2) . . ?
C10 C5 Os1 125.3(3) . . ?
N3 C14 C15 117.7(10) . . ?
C15 C14A N3 106.8(6) . . ?
C14A C15 C14 34.1(6) . . ?
C14A C15 N1 116.8(6) . . ?
C14 C15 N1 114.6(6) . . ?
C17A C16 N1 124.1(8) . . ?
C17A C16 C17 39.1(8) . . ?
N1 C16 C17 110.9(5) . . ?
N2 C17 C16 109.4(6) . . ?
C16 C17A N2 108.9(11) . . ?
N2 C18 C19 102.5(10) . . ?
C19A C18A N2 109.8(6) . . ?
C18 C19 N3 114.8(8) . . ?
N3 C19A C18A 106.2(6) . . ?
C21 C20 C25 113.7(4) . . ?
C21 C20 B1 124.6(4) . . ?
C25 C20 B1 121.7(4) . . ?
C22 C21 C20 123.6(4) . . ?
C23 C22 C21 120.7(5) . . ?
C22 C23 C24 118.7(5) . . ?
C23 C24 C25 120.1(5) . . ?
C24 C25 C20 123.2(5) . . ?
C27 C26 C31 114.5(4) . . ?
C27 C26 B1 121.5(4) . . ?
C31 C26 B1 123.9(3) . . ?
C28 C27 C26 123.3(4) . . ?
C27 C28 C29 119.9(4) . . ?
C30 C29 C28 119.1(4) . . ?
C29 C30 C31 119.8(4) . . ?
C30 C31 C26 123.3(4) . . ?
C33 C32 C37 114.3(4) . . ?
C33 C32 B1 120.9(3) . . ?
C37 C32 B1 124.6(4) . . ?
C34 C33 C32 123.8(4) . . ?
C35 C34 C33 119.9(4) . . ?
C34 C35 C36 119.1(4) . . ?
C35 C36 C37 120.1(4) . . ?
C36 C37 C32 122.7(4) . . ?
C39 C38 C43 116.2(6) . . ?
C39 C38 B1 122.6(5) . . ?
C43 C38 B1 120.9(6) . . ?
C38 C39 C40 121.0(9) . . ?
C41 C40 C39 121.8(11) . . ?
C40 C41 C42 119.2(7) . . ?
C43 C42 C41 119.4(11) . . ?
C42 C43 C38 122.3(10) . . ?
C26 B1 C38 110.7(4) . . ?
C26 B1 C20 108.6(3) . . ?
C38 B1 C20 110.8(3) . . ?
C26 B1 C32 109.3(3) . . ?
C38 B1 C32 108.4(3) . . ?
C20 B1 C32 108.9(3) . . ?
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
Os1 C5 2.171(4) . ?
Os1 C4 2.185(4) . ?
Os1 C1 2.215(4) . ?
Os1 C3 2.228(4) . ?
Os1 C2 2.260(4) . ?
Os1 Ru1 2.4110(3) . ?
Ru1 N2 2.123(4) . ?
Ru1 N1 2.131(3) . ?
Ru1 N3 2.132(4) . ?
N1 C16 1.486(7) . ?
N1 C12 1.487(5) . ?
N1 C15 1.490(6) . ?
N2 C18 1.275(14) . ?
N2 C17 1.437(9) . ?
N2 C13 1.488(7) . ?
N2 C18A 1.656(10) . ?
N2 C17A 1.737(16) . ?
N3 C19A 1.378(9) . ?
N3 C14 1.410(14) . ?
N3 C11 1.475(7) . ?
N3 C14A 1.619(9) . ?
N3 C19 1.821(13) . ?
C1 C2 1.427(6) . ?
C1 C5 1.427(6) . ?
C1 C6 1.510(7) . ?
C2 C3 1.415(7) . ?
C2 C7 1.511(7) . ?
C3 C4 1.425(7) . ?
C3 C8 1.495(8) . ?
C4 C5 1.453(7) . ?
C4 C9 1.497(7) . ?
C5 C10 1.499(7) . ?
C14 C15 1.434(14) . ?
C14A C15 1.409(11) . ?
C16 C17A 1.237(16) . ?
C16 C17 1.549(10) . ?
C18 C19 1.409(17) . ?
C18A C19A 1.544(11) . ?
C20 C21 1.393(6) . ?
C20 C25 1.409(6) . ?
C20 B1 1.644(6) . ?
C21 C22 1.384(6) . ?
C22 C23 1.368(8) . ?
C23 C24 1.374(9) . ?
C24 C25 1.392(8) . ?
C26 C27 1.402(6) . ?
C26 C31 1.403(6) . ?
C26 B1 1.639(6) . ?
C27 C28 1.384(7) . ?
C28 C29 1.393(7) . ?
C29 C30 1.377(7) . ?
C30 C31 1.393(6) . ?
C32 C33 1.398(6) . ?
C32 C37 1.399(5) . ?
C32 B1 1.652(6) . ?
C33 C34 1.383(6) . ?
C34 C35 1.373(7) . ?
C35 C36 1.378(7) . ?
C36 C37 1.398(6) . ?
C38 C39 1.375(9) . ?
C38 C43 1.414(10) . ?
C38 B1 1.643(6) . ?
C39 C40 1.392(10) . ?
C40 C41 1.343(19) . ?
C41 C42 1.387(19) . ?
C42 C43 1.371(11) . ?
