#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:37:44 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179854 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/50/7015095.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_7015095
loop_
_publ_author_name
'Lo, Yih-Hsing'
'Chen, Han-Gung'
'Kuo, Ting Shen'
_publ_section_title
;
 Proton-induced reactivities of ruthenium azido complexes: the first
 example of boron-carbon bond formation by methylene insertion into a
 B-H bond.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2711
_journal_page_last               2715
_journal_paper_doi               10.1039/c0dt01091j
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C35 H32 B Cl N7 P Ru'
_chemical_formula_sum            'C35 H32 B Cl N7 P Ru'
_chemical_formula_weight         728.98
_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                107.116(4)
_cell_angle_beta                 92.050(4)
_cell_angle_gamma                108.142(3)
_cell_formula_units_Z            2
_cell_length_a                   8.2392(5)
_cell_length_b                   11.7901(6)
_cell_length_c                   19.4125(13)
_cell_measurement_reflns_used    4027
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      24.783
_cell_measurement_theta_min      2.628
_cell_volume                     1695.70(19)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_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  0.0346
_diffrn_reflns_av_sigmaI/netI    0.0603
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13024
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.92
_exptl_absorpt_coefficient_mu    0.624
_exptl_absorpt_correction_T_max  0.9815
_exptl_absorpt_correction_T_min  0.8906
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADSBS
_exptl_crystal_colour            brown-yellow
_exptl_crystal_density_diffrn    1.428
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             744
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.726
_refine_diff_density_min         -0.623
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.592
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         5880
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.592
_refine_ls_R_factor_all          0.0593
_refine_ls_R_factor_gt           0.0433
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1376P)²+12.0230P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1206
_refine_ls_wR_factor_ref         0.1360
_reflns_number_gt                4672
_reflns_number_total             5880
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01091j.txt
_cod_data_source_block           6
_cod_original_cell_volume        1695.70(18)
_cod_database_code               7015095
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
C1 C 0.0085(6) 0.9864(5) 0.7648(3) 0.0329(11) Uani 1 1 d . . .
H1 H 0.0271 0.9183 0.7293 0.040 Uiso 1 1 calc R . .
C2 C 0.1391(6) 1.0901(5) 0.8135(3) 0.0414(13) Uani 1 1 d . . .
H2 H 0.2597 1.1052 0.8173 0.050 Uiso 1 1 calc R . .
C3 C 0.0567(6) 1.1645(5) 0.8540(3) 0.0375(12) Uani 1 1 d . . .
H3 H 0.1102 1.2423 0.8917 0.045 Uiso 1 1 calc R . .
C4 C -0.6287(6) 0.8917(5) 0.8450(3) 0.0312(10) Uani 1 1 d . . .
H4 H -0.7090 0.8097 0.8213 0.037 Uiso 1 1 calc R . .
C5 C -0.6349(7) 0.9685(5) 0.9143(3) 0.0404(12) Uani 1 1 d . . .
H5 H -0.7166 0.9498 0.9462 0.048 Uiso 1 1 calc R . .
C6 C -0.4976(7) 1.0763(5) 0.9262(3) 0.0386(12) Uani 1 1 d . . .
H6 H -0.4658 1.1477 0.9689 0.046 Uiso 1 1 calc R . .
C7 C -0.4449(6) 1.1174(5) 0.6651(3) 0.0350(11) Uani 1 1 d . . .
H7 H -0.4947 1.0657 0.6167 0.042 Uiso 1 1 calc R . .
C8 C -0.4175(7) 1.2460(5) 0.6935(3) 0.0447(13) Uani 1 1 d . . .
H8 H -0.4435 1.2982 0.6688 0.054 Uiso 1 1 calc R . .
C9 C -0.3453(6) 1.2818(5) 0.7644(3) 0.0392(12) Uani 1 1 d . . .
H9 H -0.3123 1.3645 0.7983 0.047 Uiso 1 1 calc R . .
C10 C -0.2318(5) 0.7360(4) 0.8139(2) 0.0253(9) Uani 1 1 d . . .
C11 C -0.2295(6) 0.8248(4) 0.8802(2) 0.0302(10) Uani 1 1 d . . .
H11 H -0.2955 0.8787 0.8824 0.036 Uiso 1 1 calc R . .
C12 C -0.1322(7) 0.8353(5) 0.9428(3) 0.0374(11) Uani 1 1 d . . .
H12 H -0.1328 0.8956 0.9877 0.045 Uiso 1 1 calc R . .
C13 C -0.0343(7) 0.7584(5) 0.9402(3) 0.0408(12) Uani 1 1 d . . .
H13 H 0.0322 0.7656 0.9833 0.049 Uiso 1 1 calc R . .
C14 C -0.0331(7) 0.6717(6) 0.8755(3) 0.0439(13) Uani 1 1 d . . .
H14 H 0.0356 0.6196 0.8735 0.053 Uiso 1 1 calc R . .
C15 C -0.1324(6) 0.6599(5) 0.8129(3) 0.0351(11) Uani 1 1 d . . .
H15 H -0.1324 0.5985 0.7684 0.042 Uiso 1 1 calc R . .
C16 C -0.3315(5) 0.6058(4) 0.6581(2) 0.0257(9) Uani 1 1 d . . .
C17 C -0.1626(6) 0.6331(5) 0.6421(3) 0.0369(11) Uani 1 1 d . . .
H17 H -0.0748 0.7059 0.6734 0.044 Uiso 1 1 calc R . .
C18 C -0.1205(7) 0.5570(5) 0.5822(3) 0.0423(13) Uani 1 1 d . . .
H18 H -0.0040 0.5757 0.5733 0.051 Uiso 1 1 calc R . .
C19 C -0.2483(7) 0.4528(5) 0.5346(3) 0.0397(12) Uani 1 1 d . . .
H19 H -0.2202 0.4003 0.4928 0.048 Uiso 1 1 calc R . .
C20 C -0.4149(7) 0.4267(5) 0.5487(3) 0.0409(12) Uani 1 1 d . . .
H20 H -0.5033 0.3562 0.5160 0.049 Uiso 1 1 calc R . .
C21 C -0.4565(6) 0.5019(5) 0.6101(3) 0.0336(11) Uani 1 1 d . . .
H21 H -0.5728 0.4816 0.6193 0.040 Uiso 1 1 calc R . .
C22 C -0.5819(6) 0.6024(4) 0.7551(2) 0.0263(9) Uani 1 1 d . . .
C23 C -0.7409(6) 0.5709(4) 0.7153(3) 0.0310(10) Uani 1 1 d . . .
H23 H -0.7525 0.6131 0.6816 0.037 Uiso 1 1 calc R . .
C24 C -0.8846(6) 0.4780(5) 0.7239(3) 0.0367(12) Uani 1 1 d . . .
H24 H -0.9931 0.4564 0.6957 0.044 Uiso 1 1 calc R . .
C25 C -0.8685(7) 0.4183(5) 0.7729(3) 0.0491(14) Uani 1 1 d . . .
H25 H -0.9662 0.3550 0.7789 0.059 Uiso 1 1 calc R . .
C26 C -0.7122(8) 0.4491(6) 0.8136(4) 0.0613(18) Uani 1 1 d . . .
H26 H -0.7021 0.4076 0.8479 0.074 Uiso 1 1 calc R . .
C27 C -0.5686(7) 0.5411(6) 0.8048(3) 0.0488(15) Uani 1 1 d . . .
H27 H -0.4606 0.5620 0.8331 0.059 Uiso 1 1 calc R . .
C28 C -0.2245(6) 0.8549(4) 0.5765(3) 0.0301(10) Uani 1 1 d . . .
C29 C -0.1400(6) 0.8425(4) 0.5116(3) 0.0319(10) Uani 1 1 d . . .
C30 C -0.2149(6) 0.8521(5) 0.4501(3) 0.0401(12) Uani 1 1 d . . .
H30 H -0.3235 0.8644 0.4495 0.048 Uiso 1 1 calc R . .
C31 C -0.1317(8) 0.8441(6) 0.3887(3) 0.0539(16) Uani 1 1 d . . .
H31 H -0.1835 0.8506 0.3462 0.065 Uiso 1 1 calc R . .
C32 C 0.0236(8) 0.8268(5) 0.3896(3) 0.0491(14) Uani 1 1 d . . .
H32 H 0.0806 0.8219 0.3476 0.059 Uiso 1 1 calc R . .
C33 C 0.1004(8) 0.8163(6) 0.4519(3) 0.0517(15) Uani 1 1 d . . .
H33 H 0.2091 0.8042 0.4523 0.062 Uiso 1 1 calc R . .
C34 C 0.0180(7) 0.8235(6) 0.5124(3) 0.0476(14) Uani 1 1 d . . .
H34 H 0.0689 0.8156 0.5546 0.057 Uiso 1 1 calc R . .
C35 C -0.1943(9) 1.3118(6) 0.9180(3) 0.0561(15) Uani 1 1 d . . .
H35A H -0.1517 1.3030 0.9632 0.084 Uiso 1 1 calc R . .
H35B H -0.2918 1.3429 0.9257 0.084 Uiso 1 1 calc R . .
H35C H -0.1018 1.3717 0.9033 0.084 Uiso 1 1 calc R . .
N1 N -0.1452(5) 0.9977(3) 0.7758(2) 0.0265(8) Uani 1 1 d . . .
N2 N -0.1156(5) 1.1079(4) 0.8311(2) 0.0313(9) Uani 1 1 d . . .
N3 N -0.4948(5) 0.9490(3) 0.8166(2) 0.0269(8) Uani 1 1 d . . .
N4 N -0.4142(5) 1.0648(4) 0.8672(2) 0.0309(9) Uani 1 1 d . . .
N5 N -0.3902(5) 1.0781(4) 0.7166(2) 0.0271(8) Uani 1 1 d . . .
N6 N -0.3285(5) 1.1801(4) 0.7782(2) 0.0311(9) Uani 1 1 d . . .
N7 N -0.2901(4) 0.8675(3) 0.6278(2) 0.0264(8) Uani 1 1 d . . .
P1 P -0.38738(13) 0.71382(10) 0.73621(6) 0.0224(2) Uani 1 1 d . . .
Ru1 Ru -0.39231(4) 0.89997(3) 0.720974(18) 0.02171(13) Uani 1 1 d . . .
Cl1 Cl -0.67792(14) 0.81567(11) 0.65092(7) 0.0357(3) Uani 1 1 d . . .
B1 B -0.2633(7) 1.1618(5) 0.8480(3) 0.0330(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'
P P 0.1023 0.0942 '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'
Cl Cl 0.1484 0.1585 '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'
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
N1 C1 C2 110.0(5) . . ?
N1 C1 H1 125.0 . . ?
C2 C1 H1 125.0 . . ?
C3 C2 C1 105.6(4) . . ?
C3 C2 H2 127.2 . . ?
C1 C2 H2 127.2 . . ?
N2 C3 C2 108.1(5) . . ?
N2 C3 H3 126.0 . . ?
C2 C3 H3 126.0 . . ?
N3 C4 C5 110.9(4) . . ?
N3 C4 H4 124.6 . . ?
C5 C4 H4 124.6 . . ?
C6 C5 C4 104.7(4) . . ?
C6 C5 H5 127.6 . . ?
C4 C5 H5 127.6 . . ?
N4 C6 C5 108.9(5) . . ?
N4 C6 H6 125.6 . . ?
C5 C6 H6 125.6 . . ?
N5 C7 C8 109.3(5) . . ?
N5 C7 H7 125.3 . . ?
C8 C7 H7 125.3 . . ?
C9 C8 C7 105.8(4) . . ?
C9 C8 H8 127.1 . . ?
C7 C8 H8 127.1 . . ?
N6 C9 C8 108.6(5) . . ?
N6 C9 H9 125.7 . . ?
C8 C9 H9 125.7 . . ?
C11 C10 C15 117.8(4) . . ?
C11 C10 P1 117.7(3) . . ?
C15 C10 P1 124.0(4) . . ?
C10 C11 C12 120.7(4) . . ?
C10 C11 H11 119.6 . . ?
C12 C11 H11 119.6 . . ?
C11 C12 C13 120.2(5) . . ?
C11 C12 H12 119.9 . . ?
C13 C12 H12 119.9 . . ?
C14 C13 C12 119.9(5) . . ?
C14 C13 H13 120.1 . . ?
C12 C13 H13 120.1 . . ?
C15 C14 C13 119.9(5) . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C14 C15 C10 121.4(5) . . ?
C14 C15 H15 119.3 . . ?
C10 C15 H15 119.3 . . ?
C21 C16 C17 117.6(4) . . ?
C21 C16 P1 121.5(3) . . ?
C17 C16 P1 120.7(4) . . ?
C18 C17 C16 121.4(5) . . ?
C18 C17 H17 119.3 . . ?
C16 C17 H17 119.3 . . ?
C17 C18 C19 120.0(5) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
C20 C19 C18 119.2(5) . . ?
C20 C19 H19 120.4 . . ?
C18 C19 H19 120.4 . . ?
C19 C20 C21 120.7(5) . . ?
C19 C20 H20 119.7 . . ?
C21 C20 H20 119.7 . . ?
C16 C21 C20 121.0(4) . . ?
C16 C21 H21 119.5 . . ?
C20 C21 H21 119.5 . . ?
C27 C22 C23 118.5(4) . . ?
C27 C22 P1 120.8(4) . . ?
C23 C22 P1 120.5(4) . . ?
C22 C23 C24 121.0(5) . . ?
C22 C23 H23 119.5 . . ?
C24 C23 H23 119.5 . . ?
C25 C24 C23 119.5(5) . . ?
C25 C24 H24 120.2 . . ?
C23 C24 H24 120.2 . . ?
C24 C25 C26 120.4(5) . . ?
C24 C25 H25 119.8 . . ?
C26 C25 H25 119.8 . . ?
C25 C26 C27 120.1(5) . . ?
C25 C26 H26 120.0 . . ?
C27 C26 H26 120.0 . . ?
C22 C27 C26 120.4(5) . . ?
C22 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
N7 C28 C29 178.5(5) . . ?
C30 C29 C34 120.1(5) . . ?
C30 C29 C28 119.9(4) . . ?
C34 C29 C28 119.9(4) . . ?
C29 C30 C31 120.0(5) . . ?
C29 C30 H30 120.0 . . ?
C31 C30 H30 120.0 . . ?
C32 C31 C30 120.0(5) . . ?
C32 C31 H31 120.0 . . ?
C30 C31 H31 120.0 . . ?
C31 C32 C33 120.4(5) . . ?
C31 C32 H32 119.8 . . ?
C33 C32 H32 119.8 . . ?
C34 C33 C32 119.7(5) . . ?
C34 C33 H33 120.1 . . ?
C32 C33 H33 120.1 . . ?
C33 C34 C29 119.8(5) . . ?
C33 C34 H34 120.1 . . ?
C29 C34 H34 120.1 . . ?
B1 C35 H35A 109.5 . . ?
B1 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
B1 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C1 N1 N2 106.6(4) . . ?
C1 N1 Ru1 133.9(3) . . ?
N2 N1 Ru1 119.0(3) . . ?
C3 N2 N1 109.7(4) . . ?
C3 N2 B1 129.4(4) . . ?
N1 N2 B1 119.7(4) . . ?
C4 N3 N4 106.1(4) . . ?
C4 N3 Ru1 135.0(3) . . ?
N4 N3 Ru1 118.8(3) . . ?
C6 N4 N3 109.5(4) . . ?
C6 N4 B1 130.8(4) . . ?
N3 N4 B1 119.5(4) . . ?
C7 N5 N6 107.3(4) . . ?
C7 N5 Ru1 134.0(3) . . ?
N6 N5 Ru1 118.6(3) . . ?
C9 N6 N5 108.9(4) . . ?
C9 N6 B1 132.1(4) . . ?
N5 N6 B1 118.9(4) . . ?
C28 N7 Ru1 176.3(4) . . ?
C16 P1 C10 104.1(2) . . ?
C16 P1 C22 100.26(19) . . ?
C10 P1 C22 99.5(2) . . ?
C16 P1 Ru1 115.30(14) . . ?
C10 P1 Ru1 113.95(15) . . ?
C22 P1 Ru1 121.10(15) . . ?
N7 Ru1 N1 88.35(14) . . ?
N7 Ru1 N3 174.98(14) . . ?
N1 Ru1 N3 90.71(15) . . ?
N7 Ru1 N5 90.95(15) . . ?
N1 Ru1 N5 84.72(14) . . ?
N3 Ru1 N5 84.06(14) . . ?
N7 Ru1 P1 92.76(11) . . ?
N1 Ru1 P1 92.27(10) . . ?
N3 Ru1 P1 92.21(10) . . ?
N5 Ru1 P1 175.17(10) . . ?
N7 Ru1 Cl1 89.45(10) . . ?
N1 Ru1 Cl1 170.63(10) . . ?
N3 Ru1 Cl1 90.69(11) . . ?
N5 Ru1 Cl1 86.21(10) . . ?
P1 Ru1 Cl1 96.93(4) . . ?
N6 B1 N2 107.5(4) . . ?
N6 B1 N4 107.8(4) . . ?
N2 B1 N4 109.4(4) . . ?
N6 B1 C35 107.7(4) . . ?
N2 B1 C35 112.7(4) . . ?
N4 B1 C35 111.6(4) . . ?
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
C1 N1 1.333(6) . ?
C1 C2 1.404(7) . ?
C1 H1 0.9500 . ?
C2 C3 1.360(8) . ?
C2 H2 0.9500 . ?
C3 N2 1.359(6) . ?
C3 H3 0.9500 . ?
C4 N3 1.332(6) . ?
C4 C5 1.396(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.365(8) . ?
C5 H5 0.9500 . ?
C6 N4 1.350(6) . ?
C6 H6 0.9500 . ?
C7 N5 1.337(6) . ?
C7 C8 1.393(7) . ?
C7 H7 0.9500 . ?
C8 C9 1.367(8) . ?
C8 H8 0.9500 . ?
C9 N6 1.347(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.395(6) . ?
C10 C15 1.387(6) . ?
C10 P1 1.846(4) . ?
C11 C12 1.384(7) . ?
C11 H11 0.9500 . ?
C12 C13 1.382(7) . ?
C12 H12 0.9500 . ?
C13 C14 1.369(8) . ?
C13 H13 0.9500 . ?
C14 C15 1.388(7) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C21 1.379(6) . ?
C16 C17 1.396(6) . ?
C16 P1 1.847(5) . ?
C17 C18 1.373(7) . ?
C17 H17 0.9500 . ?
C18 C19 1.389(7) . ?
C18 H18 0.9500 . ?
C19 C20 1.366(7) . ?
C19 H19 0.9500 . ?
C20 C21 1.386(7) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 C27 1.386(7) . ?
C22 C23 1.380(6) . ?
C22 P1 1.855(4) . ?
C23 C24 1.394(7) . ?
C23 H23 0.9500 . ?
C24 C25 1.365(8) . ?
C24 H24 0.9500 . ?
C25 C26 1.372(8) . ?
C25 H25 0.9500 . ?
C26 C27 1.388(7) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 N7 1.144(6) . ?
C28 C29 1.451(7) . ?
C29 C30 1.376(7) . ?
C29 C34 1.388(7) . ?
C30 C31 1.389(7) . ?
C30 H30 0.9500 . ?
C31 C32 1.357(8) . ?
C31 H31 0.9500 . ?
C32 C33 1.401(9) . ?
C32 H32 0.9500 . ?
C33 C34 1.371(8) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C35 B1 1.789(8) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
N1 N2 1.364(5) . ?
N1 Ru1 2.066(4) . ?
N2 B1 1.543(7) . ?
N3 N4 1.367(5) . ?
N3 Ru1 2.068(4) . ?
N4 B1 1.546(7) . ?
N5 N6 1.365(5) . ?
N5 Ru1 2.122(4) . ?
N6 B1 1.537(7) . ?
N7 Ru1 2.008(4) . ?
P1 Ru1 2.3115(12) . ?
Ru1 Cl1 2.4277(11) . ?
