#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:13:15 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179744 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/40/7004072.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_7004072
loop_
_publ_author_name
'Carmona, Daniel'
'Lamata, M. Pilar'
'Viguri, Fernando'
'Rodríguez, Ricardo'
'Lahoz, Fernando J.'
'Dobrinovitch, Isabel T.'
'Oro, Luis A.'
_publ_section_title
;
 Chiral pyridylamino-ruthenium(ii) complexes: synthesis, structure and
 catalytic properties in Diels--Alder reactions
;
_journal_issue                   25
_journal_name_full               'Dalton Transactions'
_journal_page_first              3328
_journal_page_last               3338
_journal_paper_doi               10.1039/B802381F
_journal_year                    2008
_chemical_absolute_configuration rmad
_chemical_formula_moiety         'C24 H30 Cl N2 Ru, F6 Sb'
_chemical_formula_sum            'C24 H30 Cl F6 N2 Ru Sb'
_chemical_formula_weight         718.77
_chemical_name_systematic
;
?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 109.2470(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.4680(11)
_cell_length_b                   10.7280(12)
_cell_length_c                   13.8827(16)
_cell_measurement_reflns_used    7924
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.22
_cell_measurement_theta_min      2.28
_cell_volume                     1331.3(3)
_computing_cell_refinement       'SAINT+ v. 6.01 (Bruker AXS, 2000)'
_computing_data_collection       'SMART v. 5.611 (Bruker AXS, 2000)'
_computing_data_reduction        'SAINT+ v. 6.01 (Bruker AXS, 2000)'
_computing_molecular_graphics    'XP program, SHELXTL v6.12, Bruker2001'
_computing_publication_material  'XCIF program, SHELXTL v6.12, BrukerAXS'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 8.26
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.938
_diffrn_measurement_device_type  'Bruker SMART APEX CCD system'
_diffrn_measurement_method       'ω rotations with narrow frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0722
_diffrn_reflns_av_sigmaI/netI    0.0598
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            16173
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         28.74
_diffrn_reflns_theta_min         2.28
_diffrn_standards_decay_%        'no decay'
_exptl_absorpt_coefficient_mu    1.740
_exptl_absorpt_correction_T_max  0.7739
_exptl_absorpt_correction_T_min  0.6255
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS: Area-Detector Absorption Correction. (1996) Bruker-AXS
within SAINT+ package, v. 6.01.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.793
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular block'
_exptl_crystal_F_000             708
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.565
_refine_diff_density_min         -0.503
_refine_diff_density_rms         0.148
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.0011(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         6286
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0526
_refine_ls_R_factor_gt           0.0506
_refine_ls_shift/su_max          0.034
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0773P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1230
_refine_ls_wR_factor_ref         0.1244
_reflns_number_gt                5924
_reflns_number_total             6286
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            B802381F.txt
_cod_data_source_block           compound_1a
_cod_original_sg_symbol_H-M      P21
_cod_database_code               7004072
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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
Ru Ru 0.00069(4) 0.26051(4) 0.32512(3) 0.02982(12) Uani 1 1 d . . .
Cl Cl 0.10415(18) 0.07257(15) 0.41131(13) 0.0411(3) Uani 1 1 d . . .
N1 N -0.1583(5) 0.1380(5) 0.2326(4) 0.0376(11) Uani 1 1 d . . .
N2 N 0.1061(5) 0.1987(5) 0.2166(4) 0.0313(10) Uani 1 1 d . . .
H2N H 0.1540 0.1247 0.2435 0.038 Uiso 1 1 calc R . .
C1 C -0.1112(7) 0.4411(6) 0.2770(5) 0.0390(13) Uani 1 1 d . . .
C2 C 0.0461(8) 0.4581(6) 0.3156(6) 0.0477(17) Uani 1 1 d . . .
H2 H 0.0941 0.4990 0.2741 0.057 Uiso 1 1 calc R . .
C3 C 0.1337(8) 0.4164(7) 0.4136(6) 0.0510(18) Uani 1 1 d . . .
H3 H 0.2388 0.4298 0.4366 0.061 Uiso 1 1 calc R . .
C4 C 0.0662(8) 0.3546(7) 0.4782(5) 0.0496(17) Uani 1 1 d . . .
C5 C -0.0884(8) 0.3365(7) 0.4381(5) 0.0458(16) Uani 1 1 d . . .
H5 H -0.1374 0.2943 0.4783 0.055 Uiso 1 1 calc R . .
C6 C -0.1741(7) 0.3788(6) 0.3398(4) 0.0383(13) Uani 1 1 d . . .
H6 H -0.2789 0.3638 0.3161 0.046 Uiso 1 1 calc R . .
C7 C -0.2016(11) 0.4930(8) 0.1739(6) 0.061(2) Uani 1 1 d . . .
H7 H -0.1369 0.4883 0.1298 0.073 Uiso 1 1 calc R . .
C8 C -0.2313(16) 0.6343(11) 0.1872(8) 0.098(4) Uani 1 1 d . . .
H8A H -0.3394 0.6499 0.1631 0.147 Uiso 1 1 calc R . .
H8B H -0.1840 0.6846 0.1473 0.147 Uiso 1 1 calc R . .
H8C H -0.1893 0.6571 0.2594 0.147 Uiso 1 1 calc R . .
C9 C -0.3316(12) 0.4245(12) 0.1247(8) 0.087(3) Uani 1 1 d . . .
H9A H -0.3043 0.3458 0.0996 0.131 Uiso 1 1 calc R . .
H9B H -0.3964 0.4729 0.0672 0.131 Uiso 1 1 calc R . .
H9C H -0.3847 0.4070 0.1730 0.131 Uiso 1 1 calc R . .
C10 C 0.1579(11) 0.3019(10) 0.5787(6) 0.082(3) Uani 1 1 d . . .
H10A H 0.1261 0.3388 0.6328 0.124 Uiso 1 1 calc R . .
H10B H 0.2637 0.3209 0.5912 0.124 Uiso 1 1 calc R . .
H10C H 0.1442 0.2113 0.5781 0.124 Uiso 1 1 calc R . .
C11 C -0.2673(8) 0.0873(7) 0.2582(7) 0.0535(18) Uani 1 1 d . . .
H11 H -0.2804 0.1125 0.3203 0.064 Uiso 1 1 calc R . .
C12 C -0.3631(7) -0.0004(8) 0.1992(7) 0.059(2) Uani 1 1 d . . .
H12 H -0.4407 -0.0349 0.2201 0.071 Uiso 1 1 calc R . .
C13 C -0.3450(9) -0.0360(9) 0.1123(8) 0.066(2) Uani 1 1 d . . .
H13 H -0.4103 -0.0963 0.0703 0.080 Uiso 1 1 calc R . .
C14 C -0.2296(8) 0.0153(8) 0.0826(6) 0.0570(19) Uani 1 1 d . . .
H14 H -0.2159 -0.0097 0.0207 0.068 Uiso 1 1 calc R . .
C15 C -0.1368(7) 0.1022(6) 0.1443(5) 0.0421(14) Uani 1 1 d . . .
C16 C -0.0114(7) 0.1624(6) 0.1225(5) 0.0403(13) Uani 1 1 d . . .
H16A H 0.0305 0.1042 0.0836 0.048 Uiso 1 1 calc R . .
H16B H -0.0481 0.2372 0.0798 0.048 Uiso 1 1 calc R . .
C17 C 0.2258(6) 0.2775(6) 0.1954(4) 0.0354(11) Uani 1 1 d . . .
H17 H 0.1784 0.3582 0.1654 0.042 Uiso 1 1 calc R . .
C18 C 0.2873(8) 0.2168(7) 0.1181(5) 0.0495(16) Uani 1 1 d . . .
H18A H 0.3319 0.1360 0.1443 0.074 Uiso 1 1 calc R . .
H18B H 0.3638 0.2709 0.1067 0.074 Uiso 1 1 calc R . .
H18C H 0.2059 0.2044 0.0535 0.074 Uiso 1 1 calc R . .
C19 C 0.3500(6) 0.3072(5) 0.2930(5) 0.0336(12) Uani 1 1 d . . .
C20 C 0.4125(6) 0.2178(6) 0.3688(5) 0.0389(13) Uani 1 1 d . . .
H20 H 0.3791 0.1338 0.3595 0.047 Uiso 1 1 calc R . .
C21 C 0.5233(7) 0.2537(8) 0.4570(5) 0.0486(16) Uani 1 1 d . . .
H21 H 0.5651 0.1925 0.5079 0.058 Uiso 1 1 calc R . .
C22 C 0.5753(8) 0.3723(8) 0.4744(6) 0.0510(18) Uani 1 1 d . . .
H22 H 0.6476 0.3949 0.5377 0.061 Uiso 1 1 calc R . .
C23 C 0.5201(8) 0.4597(7) 0.3974(7) 0.057(2) Uani 1 1 d . . .
H23 H 0.5603 0.5417 0.4061 0.068 Uiso 1 1 calc R . .
C24 C 0.4072(7) 0.4291(6) 0.3080(6) 0.0471(16) Uani 1 1 d . . .
H24 H 0.3684 0.4905 0.2568 0.057 Uiso 1 1 calc R . .
F1A F 0.230(2) 0.7190(19) 0.3096(13) 0.096(5) Uiso 0.40 1 d P A 1
F2A F 0.248(2) 0.8443(19) 0.0654(14) 0.100(5) Uiso 0.40 1 d P A 1
F3A F 0.422(2) 0.734(2) 0.2182(15) 0.106(6) Uiso 0.40 1 d P A 1
F4A F 0.027(2) 0.8351(19) 0.1468(15) 0.108(5) Uiso 0.40 1 d P A 1
F1B F 0.1513(10) 0.7516(9) 0.2897(6) 0.070(2) Uiso 0.60 1 d P A 2
F2B F 0.3197(11) 0.8063(10) 0.0861(7) 0.077(3) Uiso 0.60 1 d P A 2
F3B F 0.4166(9) 0.7289(8) 0.2710(7) 0.063(2) Uiso 0.60 1 d P A 2
F4B F 0.0445(9) 0.8344(8) 0.0935(7) 0.063(2) Uiso 0.60 1 d P A 2
F5 F 0.2809(6) 0.9460(4) 0.2349(5) 0.0696(14) Uani 1 1 d . A .
F6 F 0.1710(7) 0.6241(5) 0.1316(4) 0.0799(16) Uani 1 1 d . A .
Sb Sb 0.22558(5) 0.78538(4) 0.18451(3) 0.04149(13) 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'
F F 0.0171 0.0103 '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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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 Ru C6 90.5(2) . . ?
N1 Ru N2 77.5(2) . . ?
C6 Ru N2 142.4(2) . . ?
N1 Ru C5 107.9(2) . . ?
C6 Ru C5 38.2(2) . . ?
N2 Ru C5 174.4(2) . . ?
N1 Ru C2 133.8(3) . . ?
C6 Ru C2 66.7(3) . . ?
N2 Ru C2 96.3(2) . . ?
C5 Ru C2 79.0(3) . . ?
N1 Ru C1 101.0(2) . . ?
C6 Ru C1 37.0(2) . . ?
N2 Ru C1 110.1(2) . . ?
C5 Ru C1 68.0(3) . . ?
C2 Ru C1 37.8(3) . . ?
N1 Ru C3 169.0(2) . . ?
C6 Ru C3 79.4(3) . . ?
N2 Ru C3 108.0(3) . . ?
C5 Ru C3 66.4(3) . . ?
C2 Ru C3 37.6(3) . . ?
C1 Ru C3 68.4(3) . . ?
N1 Ru C4 141.4(3) . . ?
C6 Ru C4 68.0(2) . . ?
N2 Ru C4 138.4(2) . . ?
C5 Ru C4 36.8(3) . . ?
C2 Ru C4 67.8(3) . . ?
C1 Ru C4 81.2(2) . . ?
C3 Ru C4 37.3(3) . . ?
N1 Ru Cl 82.53(15) . . ?
C6 Ru Cl 130.83(17) . . ?
N2 Ru Cl 83.28(14) . . ?
C5 Ru Cl 98.5(2) . . ?
C2 Ru Cl 142.9(2) . . ?
C1 Ru Cl 166.57(17) . . ?
C3 Ru Cl 107.3(2) . . ?
C4 Ru Cl 88.0(2) . . ?
C11 N1 C15 119.3(6) . . ?
C11 N1 Ru 124.4(5) . . ?
C15 N1 Ru 116.1(4) . . ?
C16 N2 C17 111.8(5) . . ?
C16 N2 Ru 108.3(3) . . ?
C17 N2 Ru 120.6(4) . . ?
C16 N2 H2N 104.9 . . ?
C17 N2 H2N 104.9 . . ?
Ru N2 H2N 104.9 . . ?
C6 C1 C2 116.2(6) . . ?
C6 C1 C7 123.3(6) . . ?
C2 C1 C7 120.4(7) . . ?
C6 C1 Ru 69.3(4) . . ?
C2 C1 Ru 70.1(4) . . ?
C7 C1 Ru 132.6(5) . . ?
C3 C2 C1 122.2(7) . . ?
C3 C2 Ru 72.4(4) . . ?
C1 C2 Ru 72.2(4) . . ?
C3 C2 H2 118.9 . . ?
C1 C2 H2 118.9 . . ?
Ru C2 H2 129.0 . . ?
C2 C3 C4 120.7(7) . . ?
C2 C3 Ru 70.0(4) . . ?
C4 C3 Ru 72.8(4) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 H3 119.6 . . ?
Ru C3 H3 130.1 . . ?
C5 C4 C3 116.2(7) . . ?
C5 C4 C10 122.0(8) . . ?
C3 C4 C10 121.5(8) . . ?
C5 C4 Ru 68.6(4) . . ?
C3 C4 Ru 69.8(4) . . ?
C10 C4 Ru 127.5(6) . . ?
C4 C5 C6 122.2(7) . . ?
C4 C5 Ru 74.6(4) . . ?
C6 C5 Ru 70.1(3) . . ?
C4 C5 H5 118.9 . . ?
C6 C5 H5 118.9 . . ?
Ru C5 H5 128.9 . . ?
C1 C6 C5 122.4(6) . . ?
C1 C6 Ru 73.7(3) . . ?
C5 C6 Ru 71.7(4) . . ?
C1 C6 H6 118.8 . . ?
C5 C6 H6 118.8 . . ?
Ru C6 H6 128.0 . . ?
C9 C7 C1 113.6(8) . . ?
C9 C7 C8 113.7(9) . . ?
C1 C7 C8 108.3(7) . . ?
C9 C7 H7 106.9 . . ?
C1 C7 H7 106.9 . . ?
C8 C7 H7 106.9 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C4 C10 H10A 109.5 . . ?
C4 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C4 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N1 C11 C12 123.0(8) . . ?
N1 C11 H11 118.5 . . ?
C12 C11 H11 118.5 . . ?
C13 C12 C11 118.7(8) . . ?
C13 C12 H12 120.6 . . ?
C11 C12 H12 120.6 . . ?
C12 C13 C14 120.0(7) . . ?
C12 C13 H13 120.0 . . ?
C14 C13 H13 120.0 . . ?
C15 C14 C13 119.0(8) . . ?
C15 C14 H14 120.5 . . ?
C13 C14 H14 120.5 . . ?
N1 C15 C14 119.9(7) . . ?
N1 C15 C16 115.6(6) . . ?
C14 C15 C16 124.4(7) . . ?
N2 C16 C15 111.2(5) . . ?
N2 C16 H16A 109.4 . . ?
C15 C16 H16A 109.4 . . ?
N2 C16 H16B 109.4 . . ?
C15 C16 H16B 109.4 . . ?
H16A C16 H16B 108.0 . . ?
C19 C17 N2 110.7(4) . . ?
C19 C17 C18 110.9(5) . . ?
N2 C17 C18 112.4(6) . . ?
C19 C17 H17 107.5 . . ?
N2 C17 H17 107.5 . . ?
C18 C17 H17 107.5 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C24 C19 C20 118.6(6) . . ?
C24 C19 C17 118.6(6) . . ?
C20 C19 C17 122.8(5) . . ?
C21 C20 C19 119.0(6) . . ?
C21 C20 H20 120.5 . . ?
C19 C20 H20 120.5 . . ?
C22 C21 C20 123.1(7) . . ?
C22 C21 H21 118.5 . . ?
C20 C21 H21 118.5 . . ?
C21 C22 C23 118.3(7) . . ?
C21 C22 H22 120.9 . . ?
C23 C22 H22 120.9 . . ?
C24 C23 C22 120.9(7) . . ?
C24 C23 H23 119.6 . . ?
C22 C23 H23 119.6 . . ?
C23 C24 C19 120.0(7) . . ?
C23 C24 H24 120.0 . . ?
C19 C24 H24 120.0 . . ?
F4B Sb F3A 153.2(7) . . ?
F4B Sb F2A 69.1(6) . . ?
F3A Sb F2A 85.7(9) . . ?
F4B Sb F1B 95.0(4) . . ?
F3A Sb F1B 110.7(7) . . ?
F2A Sb F1B 163.3(7) . . ?
F4B Sb F4A 25.3(6) . . ?
F3A Sb F4A 178.3(9) . . ?
F2A Sb F4A 93.0(9) . . ?
F1B Sb F4A 70.6(7) . . ?
F4B Sb F5 94.4(3) . . ?
F3A Sb F5 92.5(7) . . ?
F2A Sb F5 85.3(7) . . ?
F1B Sb F5 91.0(3) . . ?
F4A Sb F5 88.5(7) . . ?
F4B Sb F1A 118.5(6) . . ?
F3A Sb F1A 86.6(9) . . ?
F2A Sb F1A 172.3(8) . . ?
F1B Sb F1A 24.3(5) . . ?
F4A Sb F1A 94.7(9) . . ?
F5 Sb F1A 95.0(6) . . ?
F4B Sb F2B 91.4(4) . . ?
F3A Sb F2B 62.6(7) . . ?
F2A Sb F2B 23.6(6) . . ?
F1B Sb F2B 173.1(4) . . ?
F4A Sb F2B 116.1(7) . . ?
F5 Sb F2B 91.2(4) . . ?
F1A Sb F2B 148.8(7) . . ?
F4B Sb F6 85.5(3) . . ?
F3A Sb F6 87.1(7) . . ?
F2A Sb F6 93.6(7) . . ?
F1B Sb F6 90.1(3) . . ?
F4A Sb F6 91.8(7) . . ?
F5 Sb F6 178.9(3) . . ?
F1A Sb F6 86.0(6) . . ?
F2B Sb F6 87.8(4) . . ?
F4B Sb F3B 175.9(4) . . ?
F3A Sb F3B 23.1(6) . . ?
F2A Sb F3B 107.9(7) . . ?
F1B Sb F3B 88.2(4) . . ?
F4A Sb F3B 158.4(7) . . ?
F5 Sb F3B 88.1(3) . . ?
F1A Sb F3B 64.5(6) . . ?
F2B Sb F3B 85.3(4) . . ?
F6 Sb F3B 92.0(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
Ru N1 2.090(5) . ?
Ru C6 2.148(6) . ?
Ru N2 2.167(5) . ?
Ru C5 2.170(6) . ?
Ru C2 2.176(7) . ?
Ru C1 2.204(7) . ?
Ru C3 2.207(7) . ?
Ru C4 2.247(6) . ?
Ru Cl 2.3841(16) . ?
N1 C11 1.315(9) . ?
N1 C15 1.363(9) . ?
N2 C16 1.463(8) . ?
N2 C17 1.519(7) . ?
N2 H2N 0.9300 . ?
C1 C6 1.380(9) . ?
C1 C2 1.418(9) . ?
C1 C7 1.511(10) . ?
C2 C3 1.412(11) . ?
C2 H2 0.9500 . ?
C3 C4 1.425(12) . ?
C3 H3 0.9500 . ?
C4 C5 1.397(10) . ?
C4 C10 1.491(10) . ?
C5 C6 1.413(9) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C9 1.402(14) . ?
C7 C8 1.564(13) . ?
C7 H7 1.0000 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.374(11) . ?
C11 H11 0.9500 . ?
C12 C13 1.330(13) . ?
C12 H12 0.9500 . ?
C13 C14 1.401(12) . ?
C13 H13 0.9500 . ?
C14 C15 1.370(10) . ?
C14 H14 0.9500 . ?
C15 C16 1.468(9) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C19 1.507(8) . ?
C17 C18 1.526(9) . ?
C17 H17 1.0000 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C24 1.404(9) . ?
C19 C20 1.403(9) . ?
C20 C21 1.378(9) . ?
C20 H20 0.9500 . ?
C21 C22 1.357(11) . ?
C21 H21 0.9500 . ?
C22 C23 1.389(12) . ?
C22 H22 0.9500 . ?
C23 C24 1.384(11) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
F1A Sb 1.866(18) . ?
F2A Sb 1.847(18) . ?
F3A Sb 1.845(18) . ?
F4A Sb 1.85(2) . ?
F1B Sb 1.854(8) . ?
F2B Sb 1.875(10) . ?
F3B Sb 1.910(8) . ?
F4B Sb 1.839(8) . ?
F5 Sb 1.868(4) . ?
F6 Sb 1.884(5) . ?
