#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:57:22 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179221 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/45/4314578.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_4314578
loop_
_publ_author_name
'Casey R. Wade'
'François P. Gabbaï'
_publ_section_title
;
 Cyanide Anion Binding by a Triarylborane at the Outer Rim of a
 Cyclometalated Ruthenium(II) Cationic Complex
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              714
_journal_page_last               720
_journal_paper_doi               10.1021/ic9020349
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C54 H50 B F N6 Ru'
_chemical_formula_weight         917.91
_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                 126.800(15)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.003(4)
_cell_length_b                   23.236(5)
_cell_length_c                   16.816(4)
_cell_measurement_reflns_used    6526
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      42.310
_cell_measurement_theta_min      4.631
_cell_volume                     4381(2)
_computing_cell_refinement       APEX
_computing_data_collection       APEX
_computing_data_reduction        APEX
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0888
_diffrn_reflns_av_sigmaI/netI    0.0701
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            45426
_diffrn_reflns_theta_full        24.00
_diffrn_reflns_theta_max         24.00
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    0.408
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6038
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.392
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1912
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.051
_refine_diff_density_min         -1.010
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     568
_refine_ls_number_reflns         6856
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0908
_refine_ls_R_factor_gt           0.0654
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0710P)²+21.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1585
_refine_ls_wR_factor_ref         0.1715
_reflns_number_gt                5111
_reflns_number_total             6856
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic9020349_si_002.cif
_cod_data_source_block           platon
_cod_original_cell_volume        4381.2(19)
_cod_database_code               4314578
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru -0.10579(5) -0.24221(2) 0.32318(4) 0.02836(18) Uani 1 1 d . . .
B1 B 0.2727(7) -0.1121(3) 0.6691(5) 0.0319(17) Uani 1 1 d . . .
F1 F 0.2583(3) -0.08322(15) 0.7390(3) 0.0401(9) Uani 1 1 d . . .
N1 N -0.2363(5) -0.1799(2) 0.2469(4) 0.0329(13) Uani 1 1 d . . .
N2 N -0.1731(4) -0.2767(2) 0.3911(4) 0.0294(12) Uani 1 1 d . . .
N3 N 0.0216(4) -0.3019(2) 0.4140(4) 0.0286(12) Uani 1 1 d . . .
N4 N -0.0297(4) -0.2242(2) 0.2528(4) 0.0321(12) Uani 1 1 d . . .
N5 N -0.1904(5) -0.3035(2) 0.2048(4) 0.0324(12) Uani 1 1 d . . .
N6 N 0.0180(7) -0.5374(3) 0.3483(6) 0.069(2) Uani 1 1 d . . .
C1 C -0.3371(6) -0.1837(3) 0.1516(5) 0.0351(15) Uani 1 1 d . . .
H1 H -0.3491 -0.2170 0.1160 0.042 Uiso 1 1 calc R . .
C2 C -0.4213(6) -0.1415(3) 0.1057(5) 0.0414(17) Uani 1 1 d . . .
H2 H -0.4882 -0.1461 0.0402 0.050 Uiso 1 1 calc R . .
C3 C -0.4060(6) -0.0918(3) 0.1577(6) 0.0446(18) Uani 1 1 d . . .
H3 H -0.4629 -0.0626 0.1282 0.053 Uiso 1 1 calc R . .
C4 C -0.3047(6) -0.0865(3) 0.2540(5) 0.0402(17) Uani 1 1 d . . .
H4 H -0.2930 -0.0535 0.2901 0.048 Uiso 1 1 calc R . .
C5 C -0.2184(5) -0.1306(3) 0.2984(5) 0.0312(15) Uani 1 1 d . . .
C6 C -0.1048(5) -0.1281(2) 0.3956(5) 0.0291(14) Uani 1 1 d . . .
C7 C -0.0275(5) -0.1758(2) 0.4215(4) 0.0268(14) Uani 1 1 d . . .
C8 C 0.0891(6) -0.1699(3) 0.5078(5) 0.0303(15) Uani 1 1 d . . .
H8 H 0.1408 -0.2008 0.5260 0.036 Uiso 1 1 calc R . .
C9 C 0.1343(6) -0.1210(3) 0.5689(5) 0.0302(14) Uani 1 1 d . . .
C10 C 0.0507(6) -0.0778(3) 0.5440(5) 0.0320(15) Uani 1 1 d . . .
H10 H 0.0741 -0.0463 0.5861 0.038 Uiso 1 1 calc R . .
C11 C -0.0651(6) -0.0806(3) 0.4592(5) 0.0340(16) Uani 1 1 d . . .
H11 H -0.1175 -0.0506 0.4440 0.041 Uiso 1 1 calc R . .
C12 C 0.3372(6) -0.1756(3) 0.7114(5) 0.0338(15) Uani 1 1 d . . .
C13 C 0.3810(5) -0.2069(3) 0.6663(5) 0.0333(15) Uani 1 1 d . . .
C14 C 0.4250(6) -0.2626(3) 0.6955(5) 0.0362(16) Uani 1 1 d . . .
H14 H 0.4511 -0.2815 0.6630 0.043 Uiso 1 1 calc R . .
C15 C 0.4316(6) -0.2910(3) 0.7707(5) 0.0393(17) Uani 1 1 d . . .
C16 C 0.3921(6) -0.2608(3) 0.8169(5) 0.0407(16) Uani 1 1 d . . .
H16 H 0.3973 -0.2782 0.8692 0.049 Uiso 1 1 calc R . .
C17 C 0.3447(5) -0.2054(3) 0.7880(5) 0.0337(15) Uani 1 1 d . . .
C18 C 0.3818(6) -0.1817(3) 0.5840(5) 0.0388(16) Uani 1 1 d . . .
H18C H 0.4158 -0.2090 0.5645 0.058 Uiso 1 1 calc R . .
H18B H 0.4285 -0.1471 0.6070 0.058 Uiso 1 1 calc R . .
H18A H 0.3016 -0.1730 0.5280 0.058 Uiso 1 1 calc R . .
C19 C 0.4809(7) -0.3510(3) 0.8008(6) 0.055(2) Uani 1 1 d . . .
H19C H 0.4796 -0.3635 0.8545 0.082 Uiso 1 1 calc R . .
H19B H 0.5615 -0.3513 0.8217 0.082 Uiso 1 1 calc R . .
H19A H 0.4332 -0.3764 0.7452 0.082 Uiso 1 1 calc R . .
C20 C 0.3012(6) -0.1797(3) 0.8443(5) 0.0385(16) Uani 1 1 d . . .
H20C H 0.2702 -0.1418 0.8194 0.058 Uiso 1 1 calc R . .
H20B H 0.3665 -0.1774 0.9137 0.058 Uiso 1 1 calc R . .
H20A H 0.2396 -0.2036 0.8354 0.058 Uiso 1 1 calc R . .
C21 C 0.3624(6) -0.0672(3) 0.6639(5) 0.0332(15) Uani 1 1 d . . .
C22 C 0.4739(6) -0.0542(3) 0.7550(5) 0.0352(15) Uani 1 1 d . . .
C23 C 0.5623(6) -0.0234(3) 0.7586(5) 0.0392(16) Uani 1 1 d . . .
H23 H 0.6348 -0.0164 0.8199 0.047 Uiso 1 1 calc R . .
C24 C 0.5448(6) -0.0029(3) 0.6733(5) 0.0361(16) Uani 1 1 d . . .
C25 C 0.4344(6) -0.0117(3) 0.5847(5) 0.0328(15) Uani 1 1 d . . .
H25 H 0.4194 0.0031 0.5269 0.039 Uiso 1 1 calc R . .
C26 C 0.3425(6) -0.0426(3) 0.5784(5) 0.0318(15) Uani 1 1 d . . .
C27 C 0.5042(7) -0.0706(3) 0.8547(5) 0.0477(18) Uani 1 1 d . . .
H27B H 0.4383 -0.0910 0.8450 0.072 Uiso 1 1 calc R . .
H27A H 0.5198 -0.0365 0.8929 0.072 Uiso 1 1 calc R . .
H27C H 0.5736 -0.0948 0.8896 0.072 Uiso 1 1 calc R . .
C28 C 0.6444(6) 0.0270(3) 0.6778(6) 0.0476(19) Uani 1 1 d . . .
H28B H 0.7140 0.0294 0.7456 0.071 Uiso 1 1 calc R . .
H28A H 0.6193 0.0650 0.6507 0.071 Uiso 1 1 calc R . .
H28C H 0.6629 0.0054 0.6399 0.071 Uiso 1 1 calc R . .
C29 C 0.2269(6) -0.0481(3) 0.4755(5) 0.0346(15) Uani 1 1 d . . .
H29C H 0.1706 -0.0695 0.4786 0.052 Uiso 1 1 calc R . .
H29B H 0.2410 -0.0678 0.4333 0.052 Uiso 1 1 calc R . .
H29A H 0.1954 -0.0104 0.4491 0.052 Uiso 1 1 calc R . .
C30 C -0.2717(6) -0.2589(3) 0.3812(5) 0.0369(16) Uani 1 1 d . . .
H30 H -0.3129 -0.2269 0.3420 0.044 Uiso 1 1 calc R . .
C31 C -0.3129(6) -0.2868(3) 0.4275(5) 0.0428(17) Uani 1 1 d . . .
H31 H -0.3807 -0.2735 0.4195 0.051 Uiso 1 1 calc R . .
C32 C -0.2543(6) -0.3342(3) 0.4852(5) 0.0391(17) Uani 1 1 d . . .
H32 H -0.2818 -0.3531 0.5166 0.047 Uiso 1 1 calc R . .
C33 C -0.1544(6) -0.3533(3) 0.4961(5) 0.0399(17) Uani 1 1 d . . .
H33 H -0.1138 -0.3857 0.5343 0.048 Uiso 1 1 calc R . .
C34 C -0.1147(6) -0.3237(3) 0.4493(5) 0.0332(15) Uani 1 1 d . . .
C35 C -0.0039(6) -0.3380(3) 0.4634(5) 0.0321(15) Uani 1 1 d . . .
C36 C 0.0722(6) -0.3822(3) 0.5242(5) 0.0396(17) Uani 1 1 d . . .
H36 H 0.0516 -0.4064 0.5558 0.047 Uiso 1 1 calc R . .
C37 C 0.1779(6) -0.3898(3) 0.5373(5) 0.0417(17) Uani 1 1 d . . .
H37 H 0.2289 -0.4197 0.5766 0.050 Uiso 1 1 calc R . .
C38 C 0.2076(6) -0.3528(3) 0.4917(5) 0.0380(16) Uani 1 1 d . . .
H38 H 0.2801 -0.3564 0.5016 0.046 Uiso 1 1 calc R . .
C39 C 0.1282(5) -0.3099(3) 0.4311(5) 0.0339(15) Uani 1 1 d . . .
H39 H 0.1492 -0.2853 0.4002 0.041 Uiso 1 1 calc R . .
C40 C 0.0505(6) -0.1821(3) 0.2790(5) 0.0366(16) Uani 1 1 d . . .
H40 H 0.0622 -0.1541 0.3236 0.044 Uiso 1 1 calc R . .
C41 C 0.1155(6) -0.1789(3) 0.2425(5) 0.0410(17) Uani 1 1 d . . .
H41 H 0.1695 -0.1491 0.2616 0.049 Uiso 1 1 calc R . .
C42 C 0.1000(6) -0.2203(3) 0.1774(5) 0.0429(18) Uani 1 1 d . . .
H42 H 0.1456 -0.2196 0.1540 0.051 Uiso 1 1 calc R . .
C43 C 0.0169(6) -0.2625(3) 0.1472(5) 0.0386(16) Uani 1 1 d . . .
H43 H 0.0044 -0.2903 0.1021 0.046 Uiso 1 1 calc R . .
C44 C -0.0490(6) -0.2636(3) 0.1847(5) 0.0327(15) Uani 1 1 d . . .
C45 C -0.1423(6) -0.3062(3) 0.1543(5) 0.0329(15) Uani 1 1 d . . .
C46 C -0.1818(6) -0.3464(3) 0.0787(5) 0.0409(17) Uani 1 1 d . . .
H46 H -0.1464 -0.3482 0.0464 0.049 Uiso 1 1 calc R . .
C47 C -0.2737(7) -0.3835(3) 0.0520(5) 0.0470(18) Uani 1 1 d . . .
H47 H -0.3007 -0.4105 0.0020 0.056 Uiso 1 1 calc R . .
C48 C -0.3253(6) -0.3795(3) 0.1016(5) 0.0449(18) Uani 1 1 d . . .
H48 H -0.3884 -0.4034 0.0843 0.054 Uiso 1 1 calc R . .
C49 C -0.2813(6) -0.3397(3) 0.1765(5) 0.0399(17) Uani 1 1 d . . .
H49 H -0.3159 -0.3375 0.2094 0.048 Uiso 1 1 calc R . .
C50 C -0.0329(6) -0.4877(3) 0.3336(5) 0.0410(17) Uani 1 1 d . . .
H50 H -0.0805 -0.4832 0.3547 0.049 Uiso 1 1 calc R . .
C51 C -0.0217(6) -0.4420(3) 0.2898(5) 0.0429(17) Uani 1 1 d . . .
H51 H -0.0629 -0.4080 0.2793 0.052 Uiso 1 1 calc R . .
C52 C 0.0511(6) -0.4464(3) 0.2609(5) 0.0436(18) Uani 1 1 d . . .
H52 H 0.0614 -0.4155 0.2315 0.052 Uiso 1 1 calc R . .
C53 C 0.1078(7) -0.4972(3) 0.2768(6) 0.057(2) Uani 1 1 d . . .
H53 H 0.1593 -0.5018 0.2596 0.069 Uiso 1 1 calc R . .
C54 C 0.0878(9) -0.5415(4) 0.3184(7) 0.079(3) Uani 1 1 d . . .
H54 H 0.1246 -0.5766 0.3266 0.095 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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
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
N2 Ru1 C7 92.7(2) . . ?
N2 Ru1 N3 78.65(19) . . ?
C7 Ru1 N3 95.9(2) . . ?
N2 Ru1 N4 168.45(19) . . ?
C7 Ru1 N4 95.8(2) . . ?
N3 Ru1 N4 92.70(19) . . ?
N2 Ru1 N1 95.15(19) . . ?
C7 Ru1 N1 79.6(2) . . ?
N3 Ru1 N1 172.22(18) . . ?
N4 Ru1 N1 94.05(19) . . ?
N2 Ru1 N5 94.38(19) . . ?
C7 Ru1 N5 171.8(2) . . ?
N3 Ru1 N5 89.57(19) . . ?
N4 Ru1 N5 77.76(19) . . ?
N1 Ru1 N5 95.6(2) . . ?
F1 B1 C9 103.6(5) . . ?
F1 B1 C12 111.4(5) . . ?
C9 B1 C12 109.4(5) . . ?
F1 B1 C21 102.9(5) . . ?
C9 B1 C21 119.0(5) . . ?
C12 B1 C21 110.1(5) . . ?
C1 N1 C5 117.9(5) . . ?
C1 N1 Ru1 126.3(4) . . ?
C5 N1 Ru1 115.8(4) . . ?
C30 N2 C34 117.6(5) . . ?
C30 N2 Ru1 126.4(4) . . ?
C34 N2 Ru1 116.0(4) . . ?
C39 N3 C35 116.3(5) . . ?
C39 N3 Ru1 127.6(4) . . ?
C35 N3 Ru1 116.2(4) . . ?
C40 N4 C44 118.1(5) . . ?
C40 N4 Ru1 125.2(4) . . ?
C44 N4 Ru1 115.9(4) . . ?
C49 N5 C45 117.6(6) . . ?
C49 N5 Ru1 128.4(4) . . ?
C45 N5 Ru1 114.0(4) . . ?
C50 N6 C54 115.5(6) . . ?
C2 C1 N1 123.7(6) . . ?
C1 C2 C3 119.2(7) . . ?
C4 C3 C2 118.4(6) . . ?
C3 C4 C5 120.7(7) . . ?
N1 C5 C4 120.0(6) . . ?
N1 C5 C6 114.4(5) . . ?
C4 C5 C6 125.6(6) . . ?
C11 C6 C7 120.0(6) . . ?
C11 C6 C5 124.2(6) . . ?
C7 C6 C5 115.6(5) . . ?
C8 C7 C6 116.3(6) . . ?
C8 C7 Ru1 130.0(4) . . ?
C6 C7 Ru1 113.7(4) . . ?
C7 C8 C9 124.9(6) . . ?
C10 C9 C8 115.6(6) . . ?
C10 C9 B1 118.3(6) . . ?
C8 C9 B1 126.0(5) . . ?
C11 C10 C9 121.9(6) . . ?
C10 C11 C6 120.8(6) . . ?
C17 C12 C13 114.5(6) . . ?
C17 C12 B1 123.7(5) . . ?
C13 C12 B1 121.6(5) . . ?
C14 C13 C12 121.8(6) . . ?
C14 C13 C18 116.1(6) . . ?
C12 C13 C18 122.1(6) . . ?
C15 C14 C13 122.8(6) . . ?
C14 C15 C16 116.3(6) . . ?
C14 C15 C19 121.1(6) . . ?
C16 C15 C19 122.7(6) . . ?
C15 C16 C17 122.6(6) . . ?
C16 C17 C12 122.1(6) . . ?
C16 C17 C20 115.4(6) . . ?
C12 C17 C20 122.5(6) . . ?
C26 C21 C22 115.5(6) . . ?
C26 C21 B1 127.5(6) . . ?
C22 C21 B1 116.9(5) . . ?
C23 C22 C21 122.0(6) . . ?
C23 C22 C27 115.4(6) . . ?
C21 C22 C27 122.6(6) . . ?
C24 C23 C22 121.8(6) . . ?
C25 C24 C23 117.2(6) . . ?
C25 C24 C28 121.6(6) . . ?
C23 C24 C28 121.2(6) . . ?
C24 C25 C26 122.4(6) . . ?
C21 C26 C25 120.7(6) . . ?
C21 C26 C29 123.7(5) . . ?
C25 C26 C29 115.5(5) . . ?
N2 C30 C31 121.8(6) . . ?
C32 C31 C30 120.3(6) . . ?
C31 C32 C33 119.0(6) . . ?
C32 C33 C34 119.2(6) . . ?
N2 C34 C33 122.1(6) . . ?
N2 C34 C35 114.9(5) . . ?
C33 C34 C35 122.9(6) . . ?
N3 C35 C36 122.4(5) . . ?
N3 C35 C34 113.6(5) . . ?
C36 C35 C34 124.0(5) . . ?
C37 C36 C35 119.4(6) . . ?
C38 C37 C36 119.2(6) . . ?
C37 C38 C39 119.1(6) . . ?
N3 C39 C38 123.5(6) . . ?
N4 C40 C41 122.6(6) . . ?
C40 C41 C42 119.3(6) . . ?
C43 C42 C41 119.5(6) . . ?
C42 C43 C44 119.4(6) . . ?
N4 C44 C43 121.1(6) . . ?
N4 C44 C45 115.8(5) . . ?
C43 C44 C45 123.1(6) . . ?
N5 C45 C46 121.5(6) . . ?
N5 C45 C44 114.8(5) . . ?
C46 C45 C44 123.7(6) . . ?
C47 C46 C45 119.8(6) . . ?
C46 C47 C48 118.7(6) . . ?
C49 C48 C47 118.9(6) . . ?
N5 C49 C48 123.5(6) . . ?
N6 C50 C51 124.8(6) . . ?
C50 C51 C52 119.2(6) . . ?
C53 C52 C51 117.9(6) . . ?
C52 C53 C54 118.8(7) . . ?
N6 C54 C53 123.8(8) . . ?
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 N2 2.031(5) . ?
Ru1 C7 2.036(6) . ?
Ru1 N3 2.043(5) . ?
Ru1 N4 2.055(5) . ?
Ru1 N1 2.068(5) . ?
Ru1 N5 2.138(5) . ?
B1 F1 1.468(8) . ?
B1 C9 1.651(10) . ?
B1 C12 1.652(10) . ?
B1 C21 1.675(9) . ?
N1 C1 1.363(8) . ?
N1 C5 1.365(8) . ?
N2 C30 1.353(7) . ?
N2 C34 1.364(8) . ?
N3 C39 1.355(7) . ?
N3 C35 1.369(7) . ?
N4 C40 1.349(8) . ?
N4 C44 1.359(8) . ?
N5 C49 1.353(8) . ?
N5 C45 1.364(7) . ?
N6 C50 1.301(9) . ?
N6 C54 1.344(9) . ?
C1 C2 1.362(9) . ?
C2 C3 1.387(10) . ?
C3 C4 1.378(10) . ?
C4 C5 1.410(9) . ?
C5 C6 1.446(9) . ?
C6 C11 1.398(9) . ?
C6 C7 1.424(8) . ?
C7 C8 1.397(9) . ?
C8 C9 1.404(8) . ?
C9 C10 1.403(8) . ?
C10 C11 1.377(9) . ?
C12 C17 1.408(9) . ?
C12 C13 1.428(8) . ?
C13 C14 1.390(9) . ?
C13 C18 1.509(8) . ?
C14 C15 1.380(9) . ?
C15 C16 1.382(9) . ?
C15 C19 1.503(9) . ?
C16 C17 1.397(9) . ?
C17 C20 1.522(8) . ?
C21 C26 1.413(9) . ?
C21 C22 1.418(9) . ?
C22 C23 1.399(9) . ?
C22 C27 1.512(9) . ?
C23 C24 1.386(9) . ?
C24 C25 1.375(9) . ?
C24 C28 1.520(9) . ?
C25 C26 1.420(8) . ?
C26 C29 1.509(9) . ?
C30 C31 1.378(9) . ?
C31 C32 1.368(9) . ?
C32 C33 1.372(9) . ?
C33 C34 1.387(8) . ?
C34 C35 1.460(8) . ?
C35 C36 1.389(9) . ?
C36 C37 1.372(9) . ?
C37 C38 1.371(9) . ?
C38 C39 1.381(9) . ?
C40 C41 1.370(8) . ?
C41 C42 1.373(10) . ?
C42 C43 1.366(10) . ?
C43 C44 1.396(8) . ?
C44 C45 1.466(9) . ?
C45 C46 1.396(9) . ?
C46 C47 1.381(9) . ?
C47 C48 1.396(10) . ?
C48 C49 1.375(9) . ?
C50 C51 1.355(9) . ?
C51 C52 1.369(9) . ?
C52 C53 1.357(10) . ?
C53 C54 1.365(10) . ?
