#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:15:36 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178642 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/53/4075360.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_4075360
loop_
_publ_author_name
'Sun, Yi'
'Chan, Hoi-Shan'
'Xie, Zuowei'
_publ_section_title
;
 Reaction of [η5:σ-Me2C(C5H4)(C2B10H10)]Ru(NH2Prn)2with Alkynes.
 Synthesis and Structural Characterization of Ruthenium Aminocarbene and
 Enamine Complexes
;
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3447
_journal_paper_doi               10.1021/om060249a
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C36 H49 B10 N Ru'
_chemical_formula_weight         704.93
_chemical_name_systematic
; 
 ? 
;
_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                 104.12(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.541(2)
_cell_length_b                   20.906(4)
_cell_length_c                   16.959(3)
_cell_measurement_temperature    293(2)
_cell_volume                     3624.3(13)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.829
_diffrn_measured_fraction_theta_max 0.829
_diffrn_measurement_device_type  'multiwire proportional'
_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  0.0635
_diffrn_reflns_av_sigmaI/netI    0.0769
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            9536
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    0.460
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8743
_exptl_absorpt_correction_type   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.292
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1464
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.605
_refine_diff_density_min         -0.478
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.164
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     392
_refine_ls_number_reflns         5287
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.164
_refine_ls_R_factor_all          0.0832
_refine_ls_R_factor_gt           0.0709
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1062P)²+1.7209P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1899
_refine_ls_wR_factor_ref         0.1992
_reflns_number_gt                4719
_reflns_number_total             5287
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om060249asi20060320_035907.cif
_cod_data_source_block           2b
_cod_original_cell_volume        3624.5(13)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4075360
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
Ru1 Ru 0.49936(5) 0.59621(2) 0.80258(3) 0.0578(2) Uani 1 1 d .
N1 N 0.6622(8) 0.4590(3) 0.8524(5) 0.121(3) Uani 1 1 d .
H1A H 0.6248 0.4227 0.8387 0.146 Uiso 1 1 calc R
B3 B 0.2874(7) 0.7032(3) 0.8376(4) 0.0648(17) Uani 1 1 d .
H3 H 0.3738 0.7326 0.8642 0.078 Uiso 1 1 calc R
B4 B 0.1420(8) 0.7368(4) 0.7740(5) 0.075(2) Uani 1 1 d .
H4 H 0.1337 0.7884 0.7606 0.090 Uiso 1 1 calc R
B5 B 0.0751(8) 0.6785(4) 0.6999(5) 0.080(2) Uani 1 1 d .
H5 H 0.0239 0.6920 0.6376 0.096 Uiso 1 1 calc R
B6 B 0.1755(8) 0.6096(3) 0.7203(5) 0.0684(18) Uani 1 1 d .
H6 H 0.1907 0.5781 0.6714 0.082 Uiso 1 1 calc R
B7 B 0.2380(8) 0.6372(4) 0.8885(5) 0.074(2) Uani 1 1 d .
H7 H 0.2916 0.6237 0.9503 0.089 Uiso 1 1 calc R
B8 B 0.1375(8) 0.7069(4) 0.8702(5) 0.081(2) Uani 1 1 d .
H8 H 0.1265 0.7386 0.9199 0.097 Uiso 1 1 calc R
B9 B 0.0039(8) 0.6911(4) 0.7841(6) 0.086(2) Uani 1 1 d .
H9 H -0.0935 0.7124 0.7776 0.104 Uiso 1 1 calc R
B10 B 0.0262(9) 0.6122(4) 0.7503(6) 0.083(2) Uani 1 1 d .
H10 H -0.0581 0.5823 0.7211 0.099 Uiso 1 1 calc R
B11 B 0.1664(8) 0.5792(4) 0.8145(6) 0.076(2) Uani 1 1 d .
H11 H 0.1729 0.5276 0.8273 0.091 Uiso 1 1 calc R
B12 B 0.0636(9) 0.6295(4) 0.8543(6) 0.086(2) Uani 1 1 d .
H12 H 0.0037 0.6110 0.8940 0.103 Uiso 1 1 calc R
C1 C 0.2392(6) 0.6848(3) 0.7369(4) 0.0614(14) Uani 1 1 d .
C2 C 0.3027(6) 0.6254(3) 0.8071(3) 0.0588(13) Uani 1 1 d .
C11 C 0.3307(6) 0.7080(3) 0.6838(4) 0.0719(17) Uani 1 1 d .
C12 C 0.2622(8) 0.7040(5) 0.5928(4) 0.103(3) Uani 1 1 d .
H12A H 0.2327 0.6610 0.5795 0.155 Uiso 1 1 calc R
H12B H 0.3225 0.7160 0.5612 0.155 Uiso 1 1 calc R
H12C H 0.1886 0.7325 0.5810 0.155 Uiso 1 1 calc R
C13 C 0.3794(8) 0.7785(3) 0.7035(6) 0.098(2) Uani 1 1 d .
H13A H 0.4358 0.7904 0.6692 0.147 Uiso 1 1 calc R
H13B H 0.4266 0.7813 0.7594 0.147 Uiso 1 1 calc R
H13C H 0.3055 0.8068 0.6938 0.147 Uiso 1 1 calc R
C14 C 0.4515(6) 0.6640(3) 0.7013(3) 0.0620(14) Uani 1 1 d .
C15 C 0.5784(7) 0.6801(3) 0.7480(4) 0.0701(16) Uani 1 1 d .
H15A H 0.6053 0.7212 0.7746 0.084 Uiso 1 1 calc R
C16 C 0.6599(7) 0.6258(4) 0.7480(5) 0.0784(18) Uani 1 1 d .
H16A H 0.7535 0.6232 0.7743 0.094 Uiso 1 1 calc R
C17 C 0.5849(8) 0.5778(4) 0.6982(4) 0.0804(19) Uani 1 1 d .
H17A H 0.6185 0.5365 0.6849 0.097 Uiso 1 1 calc R
C18 C 0.4559(8) 0.6002(3) 0.6683(4) 0.0706(17) Uani 1 1 d .
H18A H 0.3847 0.5782 0.6300 0.085 Uiso 1 1 calc R
C21 C 0.5654(7) 0.6132(3) 0.9347(4) 0.0715(17) Uani 1 1 d .
C28 C 0.6413(7) 0.5640(4) 0.9097(4) 0.0804(19) Uani 1 1 d .
H28A H 0.7342 0.5720 0.9136 0.096 Uiso 1 1 calc R
C29 C 0.5849(8) 0.5060(3) 0.8731(5) 0.087(2) Uani 1 1 d .
C30 C 0.4467(7) 0.5033(3) 0.8502(4) 0.0739(17) Uani 1 1 d .
C22 C 0.6305(7) 0.6754(3) 0.9675(4) 0.0670(16) Uani 1 1 d .
C23 C 0.7469(7) 0.6972(4) 0.9554(4) 0.0768(18) Uani 1 1 d .
H23A H 0.7889 0.6731 0.9232 0.092 Uiso 1 1 calc R
C24 C 0.8051(8) 0.7539(4) 0.9890(5) 0.089(2) Uani 1 1 d .
H24A H 0.8860 0.7660 0.9811 0.106 Uiso 1 1 calc R
C25 C 0.7433(8) 0.7917(4) 1.0336(5) 0.091(2) Uani 1 1 d .
H25A H 0.7799 0.8303 1.0554 0.109 Uiso 1 1 calc R
C26 C 0.6244(9) 0.7712(4) 1.0456(5) 0.096(2) Uani 1 1 d .
H26A H 0.5821 0.7961 1.0769 0.116 Uiso 1 1 calc R
C27 C 0.5669(7) 0.7146(4) 1.0122(4) 0.0818(19) Uani 1 1 d .
H27A H 0.4856 0.7028 1.0196 0.098 Uiso 1 1 calc R
C31 C 0.3793(7) 0.4476(3) 0.7994(4) 0.0743(17) Uani 1 1 d .
C32 C 0.3858(9) 0.4355(4) 0.7202(5) 0.097(2) Uani 1 1 d .
H32A H 0.4321 0.4635 0.6949 0.117 Uiso 1 1 calc R
C33 C 0.3257(10) 0.3834(4) 0.6781(6) 0.105(3) Uani 1 1 d .
H33A H 0.3351 0.3758 0.6258 0.126 Uiso 1 1 calc R
C34 C 0.2526(9) 0.3425(3) 0.7113(6) 0.101(3) Uani 1 1 d .
H34A H 0.2097 0.3083 0.6812 0.121 Uiso 1 1 calc R
C35 C 0.2428(9) 0.3524(3) 0.7904(6) 0.103(3) Uani 1 1 d .
H35A H 0.1939 0.3250 0.8145 0.123 Uiso 1 1 calc R
C36 C 0.3086(9) 0.4049(3) 0.8331(5) 0.088(2) Uani 1 1 d .
H36A H 0.3041 0.4111 0.8867 0.105 Uiso 1 1 calc R
C37 C 0.7995(12) 0.4631(6) 0.8508(10) 0.177(6) Uani 1 1 d .
H37A H 0.8041 0.4577 0.7947 0.213 Uiso 1 1 calc R
H37B H 0.8288 0.5062 0.8667 0.213 Uiso 1 1 calc R
C38 C 0.8813(16) 0.4251(12) 0.8935(18) 0.327(17) Uani 1 1 d .
H38A H 0.8664 0.4317 0.9471 0.392 Uiso 1 1 calc R
H38B H 0.8417 0.3839 0.8763 0.392 Uiso 1 1 calc R
C39 C 0.996(2) 0.4121(9) 0.9095(11) 0.254(12) Uani 1 1 d .
H39A H 1.0144 0.3804 0.9517 0.381 Uiso 1 1 calc R
H39B H 1.0462 0.4500 0.9278 0.381 Uiso 1 1 calc R
H39C H 1.0187 0.3958 0.8619 0.381 Uiso 1 1 calc R
C67 C 0.0332(12) 0.5606(12) 0.3954(15) 0.323(14) Uani 1 1 d D
H67A H -0.0053 0.5290 0.4234 0.485 Uiso 1 1 calc R
H67B H 0.0010 0.5550 0.3378 0.485 Uiso 1 1 calc R
H67C H 0.0105 0.6025 0.4105 0.485 Uiso 1 1 calc R
C61 C 0.1843(11) 0.5529(6) 0.4188(9) 0.278(10) Uiso 1 1 d GD
C62 C 0.2411(15) 0.4997(6) 0.4628(9) 0.239(8) Uiso 1 1 d GD
C63 C 0.3764(16) 0.4953(7) 0.4893(9) 0.295(11) Uiso 1 1 d G
C64 C 0.4550(11) 0.5440(9) 0.4717(11) 0.295(11) Uiso 1 1 d G
C65 C 0.3982(15) 0.5972(7) 0.4276(10) 0.312(15) Uiso 1 1 d G
C66 C 0.2629(16) 0.6016(5) 0.4012(8) 0.195(7) Uiso 1 1 d GD
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'
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'
N N 0.0061 0.0033 '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_3
C28 Ru1 C2 121.8(3) .
C28 Ru1 C14 147.3(3) .
C2 Ru1 C14 78.9(2) .
C28 Ru1 C21 38.2(3) .
C2 Ru1 C21 89.2(2) .
C14 Ru1 C21 130.4(2) .
C28 Ru1 C16 89.7(3) .
C2 Ru1 C16 140.3(3) .
C14 Ru1 C16 62.8(3) .
C21 Ru1 C16 107.2(3) .
C28 Ru1 C17 106.6(3) .
C2 Ru1 C17 130.9(3) .
C14 Ru1 C17 62.9(3) .
C21 Ru1 C17 138.8(3) .
C16 Ru1 C17 37.6(3) .
C28 Ru1 C18 143.6(3) .
C2 Ru1 C18 93.8(2) .
C14 Ru1 C18 38.5(2) .
C21 Ru1 C18 166.9(3) .
C16 Ru1 C18 62.9(3) .
C17 Ru1 C18 37.2(3) .
C28 Ru1 C30 66.8(3) .
C2 Ru1 C30 84.7(2) .
C14 Ru1 C30 145.1(2) .
C21 Ru1 C30 79.4(3) .
C16 Ru1 C30 133.0(3) .
C17 Ru1 C30 109.0(3) .
C18 Ru1 C30 113.6(3) .
C28 Ru1 C15 109.9(3) .
C2 Ru1 C15 104.4(2) .
C14 Ru1 C15 37.4(2) .
C21 Ru1 C15 103.7(3) .
C16 Ru1 C15 37.4(3) .
C17 Ru1 C15 62.5(3) .
C18 Ru1 C15 63.2(2) .
C30 Ru1 C15 170.3(3) .
C28 Ru1 C29 37.1(3) .
C2 Ru1 C29 117.9(3) .
C14 Ru1 C29 157.9(3) .
C21 Ru1 C29 67.5(3) .
C16 Ru1 C29 101.8(3) .
C17 Ru1 C29 95.1(3) .
C18 Ru1 C29 121.6(3) .
C30 Ru1 C29 36.4(3) .
C15 Ru1 C29 136.1(3) .
C29 N1 C37 128.0(9) .
C1 B3 C2 60.9(4) .
C1 B3 B7 105.2(5) .
C2 B3 B7 58.2(4) .
C1 B3 B4 58.8(4) .
C2 B3 B4 108.6(5) .
B7 B3 B4 106.8(6) .
C1 B3 B8 104.4(5) .
C2 B3 B8 106.6(5) .
B7 B3 B8 59.9(4) .
B4 B3 B8 58.7(5) .
C1 B4 B8 105.6(5) .
C1 B4 B5 58.2(4) .
B8 B4 B5 108.5(6) .
C1 B4 B9 105.6(5) .
B8 B4 B9 60.8(5) .
B5 B4 B9 60.4(5) .
C1 B4 B3 58.1(4) .
B8 B4 B3 60.9(4) .
B5 B4 B3 106.9(5) .
B9 B4 B3 109.3(6) .
C1 B5 B4 59.3(4) .
C1 B5 B10 105.9(6) .
B4 B5 B10 108.0(6) .
C1 B5 B6 58.9(4) .
B4 B5 B6 107.8(6) .
B10 B5 B6 59.9(5) .
C1 B5 B9 106.4(6) .
B4 B5 B9 60.2(5) .
B10 B5 B9 60.1(5) .
B6 B5 B9 108.1(6) .
C1 B6 B11 107.0(5) .
C1 B6 C2 60.1(4) .
B11 B6 C2 60.3(4) .
C1 B6 B10 105.4(5) .
B11 B6 B10 59.7(5) .
C2 B6 B10 107.6(6) .
C1 B6 B5 58.3(4) .
B11 B6 B5 108.2(6) .
C2 B6 B5 107.8(5) .
B10 B6 B5 60.0(5) .
C2 B7 B3 59.6(4) .
C2 B7 B11 60.8(4) .
B3 B7 B11 108.2(5) .
C2 B7 B8 108.4(5) .
B3 B7 B8 60.8(5) .
B11 B7 B8 107.6(6) .
C2 B7 B12 107.9(6) .
B3 B7 B12 108.2(6) .
B11 B7 B12 59.0(5) .
B8 B7 B12 59.9(5) .
B4 B8 B7 107.6(6) .
B4 B8 B12 107.0(6) .
B7 B8 B12 60.4(5) .
B4 B8 B9 60.3(5) .
B7 B8 B9 107.9(6) .
B12 B8 B9 58.9(5) .
B4 B8 B3 60.4(4) .
B7 B8 B3 59.3(4) .
B12 B8 B3 107.3(5) .
B9 B8 B3 108.4(6) .
B12 B9 B10 59.1(5) .
B12 B9 B4 107.0(6) .
B10 B9 B4 106.9(6) .
B12 B9 B5 106.4(6) .
B10 B9 B5 59.5(5) .
B4 B9 B5 59.4(5) .
B12 B9 B8 60.3(5) .
B10 B9 B8 107.1(6) .
B4 B9 B8 58.9(5) .
B5 B9 B8 106.1(6) .
B12 B10 B11 60.4(5) .
B12 B10 B5 107.7(6) .
B11 B10 B5 107.9(6) .
B12 B10 B6 107.4(6) .
B11 B10 B6 59.4(5) .
B5 B10 B6 60.1(5) .
B12 B10 B9 59.9(5) .
B11 B10 B9 108.8(6) .
B5 B10 B9 60.5(5) .
B6 B10 B9 108.5(6) .
B6 B11 B10 60.9(5) .
B6 B11 C2 60.5(4) .
B10 B11 C2 108.6(6) .
B6 B11 B12 108.1(6) .
B10 B11 B12 59.8(5) .
C2 B11 B12 106.8(5) .
B6 B11 B7 106.8(5) .
B10 B11 B7 108.6(6) .
C2 B11 B7 57.4(4) .
B12 B11 B7 61.0(5) .
B10 B12 B9 61.0(5) .
B10 B12 B11 59.8(5) .
B9 B12 B11 109.3(7) .
B10 B12 B8 108.8(6) .
B9 B12 B8 60.7(5) .
B11 B12 B8 108.2(6) .
B10 B12 B7 107.8(6) .
B9 B12 B7 108.7(6) .
B11 B12 B7 59.9(5) .
B8 B12 B7 59.7(5) .
C11 C1 B5 122.2(5) .
C11 C1 B3 115.9(5) .
B5 C1 B3 114.6(5) .
C11 C1 B6 118.0(5) .
B5 C1 B6 62.8(4) .
B3 C1 B6 112.5(5) .
C11 C1 B4 121.8(5) .
B5 C1 B4 62.5(4) .
B3 C1 B4 63.1(4) .
B6 C1 B4 113.5(5) .
C11 C1 C2 115.6(5) .
B5 C1 C2 112.7(5) .
B3 C1 C2 60.2(4) .
B6 C1 C2 61.6(4) .
B4 C1 C2 111.5(5) .
B7 C2 B3 62.3(4) .
B7 C2 C1 106.8(5) .
B3 C2 C1 58.9(4) .
B7 C2 B11 61.7(5) .
B3 C2 B11 111.0(5) .
C1 C2 B11 104.9(5) .
B7 C2 B6 109.3(5) .
B3 C2 B6 108.6(5) .
C1 C2 B6 58.3(4) .
B11 C2 B6 59.3(4) .
B7 C2 Ru1 130.0(4) .
B3 C2 Ru1 115.7(4) .
C1 C2 Ru1 112.7(4) .
B11 C2 Ru1 130.4(4) .
B6 C2 Ru1 117.0(4) .
C12 C11 C14 109.0(6) .
C12 C11 C1 111.0(6) .
C14 C11 C1 107.7(5) .
C12 C11 C13 108.3(6) .
C14 C11 C13 107.9(6) .
C1 C11 C13 112.8(6) .
C15 C14 C18 108.6(6) .
C15 C14 C11 126.1(6) .
C18 C14 C11 125.2(6) .
C15 C14 Ru1 73.1(3) .
C18 C14 Ru1 71.6(4) .
C11 C14 Ru1 124.0(4) .
C14 C15 C16 107.3(6) .
C14 C15 Ru1 69.5(3) .
C16 C15 Ru1 70.1(4) .
C15 C16 C17 108.4(7) .
C15 C16 Ru1 72.5(4) .
C17 C16 Ru1 71.3(4) .
C18 C17 C16 109.1(6) .
C18 C17 Ru1 71.6(4) .
C16 C17 Ru1 71.2(4) .
C17 C18 C14 106.6(6) .
C17 C18 Ru1 71.2(4) .
C14 C18 Ru1 69.9(3) .
C28 C21 C22 119.4(7) .
C28 C21 Ru1 69.2(4) .
C22 C21 Ru1 121.0(4) .
C29 C28 C21 122.5(7) .
C29 C28 Ru1 76.6(4) .
C21 C28 Ru1 72.6(4) .
N1 C29 C30 122.4(7) .
N1 C29 C28 120.6(8) .
C30 C29 C28 116.5(6) .
N1 C29 Ru1 129.4(6) .
C30 C29 Ru1 69.0(3) .
C28 C29 Ru1 66.3(4) .
C29 C30 C31 119.6(6) .
C29 C30 Ru1 74.5(4) .
C31 C30 Ru1 126.0(5) .
C23 C22 C27 116.9(6) .
C23 C22 C21 125.0(6) .
C27 C22 C21 118.1(7) .
C22 C23 C24 122.9(7) .
C25 C24 C23 119.9(8) .
C24 C25 C26 118.3(7) .
C25 C26 C27 121.6(8) .
C26 C27 C22 120.3(8) .
C36 C31 C32 116.5(7) .
C36 C31 C30 119.2(7) .
C32 C31 C30 124.3(7) .
C33 C32 C31 121.6(8) .
C32 C33 C34 121.4(8) .
C33 C34 C35 119.3(8) .
C34 C35 C36 118.2(9) .
C31 C36 C35 122.9(8) .
C38 C37 N1 119.7(18) .
C39 C38 C37 141(3) .
C62 C61 C66 120.0 .
C62 C61 C67 120.0(4) .
C66 C61 C67 119.8(4) .
C63 C62 C61 120.0 .
C62 C63 C64 120.0 .
C62 C63 C64 158(2) 3_666
C64 C63 C64 81(2) 3_666
C65 C64 C63 120.0 .
C65 C64 C63 140(2) 3_666
C63 C64 C63 99(2) 3_666
C64 C65 C66 120.0 .
C65 C66 C61 120.0 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C28 2.160(7) .
Ru1 C2 2.181(6) .
Ru1 C14 2.189(6) .
Ru1 C21 2.206(6) .
Ru1 C16 2.206(7) .
Ru1 C17 2.207(7) .
Ru1 C18 2.212(7) .
Ru1 C30 2.225(6) .
Ru1 C15 2.237(6) .
Ru1 C29 2.296(7) .
N1 C29 1.376(10) .
N1 C37 1.457(14) .
B3 C1 1.702(9) .
B3 C2 1.725(9) .
B3 B7 1.771(11) .
B3 B4 1.789(10) .
B3 B8 1.799(11) .
B4 C1 1.715(10) .
B4 B8 1.759(12) .
B4 B5 1.769(11) .
B4 B9 1.784(12) .
B5 C1 1.695(10) .
B5 B10 1.770(13) .
B5 B6 1.771(11) .
B5 B9 1.787(14) .
B6 C1 1.707(9) .
B6 B11 1.743(12) .
B6 C2 1.764(9) .
B6 B10 1.769(12) .
B7 C2 1.699(10) .
B7 B11 1.776(12) .
B7 B8 1.783(11) .
B7 B12 1.796(12) .
B8 B12 1.787(13) .
B8 B9 1.794(12) .
B9 B12 1.762(13) .
B9 B10 1.780(12) .
B10 B12 1.748(14) .
B10 B11 1.750(13) .
B11 C2 1.761(10) .
B11 B12 1.759(12) .
C1 C11 1.550(9) .
C1 C2 1.738(8) .
C11 C12 1.537(9) .
C11 C14 1.540(9) .
C11 C13 1.568(10) .
C14 C15 1.419(9) .
C14 C18 1.451(9) .
C15 C16 1.423(10) .
C16 C17 1.421(11) .
C17 C18 1.411(11) .
C21 C28 1.428(10) .
C21 C22 1.512(9) .
C28 C29 1.424(10) .
C29 C30 1.414(10) .
C30 C31 1.519(9) .
C22 C23 1.371(9) .
C22 C27 1.394(9) .
C23 C24 1.391(10) .
C24 C25 1.365(11) .
C25 C26 1.386(11) .
C26 C27 1.386(10) .
C31 C36 1.374(10) .
C31 C32 1.385(10) .
C32 C33 1.369(11) .
C33 C34 1.362(12) .
C34 C35 1.385(11) .
C35 C36 1.401(11) .
C37 C38 1.263(19) .
C38 C39 1.20(2) .
C67 C61 1.553(5) .
C61 C62 1.3900 .
C61 C66 1.3900 .
C62 C63 1.3900 .
C63 C64 1.3900 .
C63 C64 1.92(3) 3_666
C64 C65 1.3900 .
C64 C63 1.92(2) 3_666
C65 C66 1.3900 .
