#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:13:15 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179744 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/40/7004073.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_7004073
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         'C26 H38 Cl N2 Ru, F6 Sb '
_chemical_formula_sum            'C26 H38 Cl F6 N2 Ru Sb'
_chemical_formula_weight         750.85
_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                 116.7890(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.9604(8)
_cell_length_b                   10.8946(7)
_cell_length_c                   12.1915(8)
_cell_measurement_reflns_used    1290
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      21
_cell_measurement_theta_min      5
_cell_volume                     1418.10(16)
_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      150(2)
_diffrn_detector_area_resol_mean 8.26
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.929
_diffrn_measurement_device_type  'Bruker SMART CCD system'
_diffrn_measurement_method       'ω rotations with narrow frames'
_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  0.0232
_diffrn_reflns_av_sigmaI/netI    0.0293
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6991
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         2.65
_diffrn_standards_decay_%        'no decay'
_exptl_absorpt_coefficient_mu    1.637
_exptl_absorpt_correction_T_max  0.7207
_exptl_absorpt_correction_T_min  0.6439
_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    1.758
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular block'
_exptl_crystal_F_000             748
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.541
_refine_diff_density_min         -0.440
_refine_diff_density_rms         0.073
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.01(2)
_refine_ls_extinction_coef       0.0010(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     416
_refine_ls_number_reflns         4478
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0275
_refine_ls_R_factor_gt           0.0257
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0346P)²+1.2108P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0621
_refine_ls_wR_factor_ref         0.0637
_reflns_number_gt                4347
_reflns_number_total             4478
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            B802381F.txt
_cod_data_source_block           compound_5a
_cod_original_sg_symbol_H-M      P21
_cod_database_code               7004073
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 0.51825(3) 0.09447(3) 0.21526(3) 0.01850(9) Uani 1 1 d . . .
Cl Cl 0.48034(10) 0.06835(11) 0.00643(9) 0.0293(3) Uani 1 1 d . . .
N1 N 0.3931(3) 0.2411(4) 0.1466(3) 0.0214(8) Uani 1 1 d . . .
N2 N 0.6345(3) 0.2434(4) 0.2106(3) 0.0196(8) Uani 1 1 d . . .
H2N H 0.618(4) 0.247(5) 0.136(4) 0.018(11) Uiso 1 1 d . . .
C1 C 0.4684(4) 0.0648(4) 0.3678(4) 0.0215(9) Uani 1 1 d . . .
C2 C 0.5997(4) 0.0702(4) 0.4146(4) 0.0240(10) Uani 1 1 d . . .
H2 H 0.6442 0.1230 0.4746 0.029 Uiso 1 1 d R . .
C3 C 0.6637(4) -0.0098(5) 0.3682(4) 0.0228(9) Uani 1 1 d . . .
H3 H 0.746(5) 0.002(5) 0.392(5) 0.027 Uiso 1 1 d . . .
C4 C 0.5988(4) -0.0938(5) 0.2731(4) 0.0270(10) Uani 1 1 d . . .
C5 C 0.4653(4) -0.0958(4) 0.2245(4) 0.0258(9) Uani 1 1 d . . .
H5 H 0.421(5) -0.143(6) 0.160(5) 0.031 Uiso 1 1 d . . .
C6 C 0.4018(4) -0.0206(4) 0.2711(4) 0.0222(9) Uani 1 1 d . . .
H6 H 0.310(5) -0.019(5) 0.238(4) 0.027 Uiso 1 1 d . . .
C7 C 0.3983(4) 0.1420(5) 0.4206(4) 0.0237(9) Uani 1 1 d . . .
H7 H 0.312(5) 0.138(5) 0.362(5) 0.024(13) Uiso 1 1 d . . .
C8 C 0.4133(5) 0.0799(5) 0.5398(4) 0.0348(11) Uani 1 1 d . . .
H8A H 0.4999 0.0874 0.6018 0.055(18) Uiso 1 1 d R . .
H8B H 0.3836 0.0015 0.5218 0.06(2) Uiso 1 1 d R . .
H8C H 0.3606 0.1193 0.5713 0.035(14) Uiso 1 1 d R . .
C9 C 0.4403(4) 0.2756(5) 0.4470(4) 0.0286(10) Uani 1 1 d . . .
H9A H 0.5298 0.2801 0.5018 0.037(14) Uiso 1 1 d R . .
H9B H 0.3890 0.3140 0.4796 0.047(17) Uiso 1 1 d R . .
H9C H 0.4248 0.3165 0.3715 0.042(16) Uiso 1 1 d R . .
C10 C 0.6638(5) -0.1744(5) 0.2195(5) 0.0370(12) Uani 1 1 d . . .
H10A H 0.7618 -0.1525 0.2530 0.047(17) Uiso 1 1 d R . .
H10B H 0.6277 -0.1575 0.1303 0.045(17) Uiso 1 1 d R . .
H10C H 0.6549 -0.2559 0.2387 0.048(17) Uiso 1 1 d R . .
C11 C 0.2675(4) 0.2294(5) 0.0843(4) 0.0266(10) Uani 1 1 d . . .
H11 H 0.239(6) 0.142(6) 0.067(6) 0.046(17) Uiso 1 1 d . . .
C12 C 0.1898(4) 0.3303(5) 0.0543(4) 0.0320(11) Uani 1 1 d . . .
H12 H 0.099(6) 0.320(6) 0.017(5) 0.040(16) Uiso 1 1 d . . .
C13 C 0.2414(4) 0.4468(5) 0.0876(4) 0.0315(11) Uani 1 1 d . . .
H13 H 0.1908 0.5114 0.0712 0.029(14) Uiso 1 1 d R . .
C14 C 0.3707(4) 0.4589(5) 0.1457(4) 0.0271(10) Uani 1 1 d . . .
H14 H 0.414(5) 0.531(5) 0.168(4) 0.020(12) Uiso 1 1 d . . .
C15 C 0.4442(4) 0.3536(4) 0.1737(4) 0.0218(9) Uani 1 1 d . . .
C16 C 0.5854(4) 0.3565(4) 0.2403(4) 0.0213(9) Uani 1 1 d . . .
H16A H 0.614(5) 0.428(6) 0.208(5) 0.041(15) Uiso 1 1 d . . .
H16B H 0.619(4) 0.361(5) 0.337(4) 0.022(12) Uiso 1 1 d . . .
C17 C 0.7751(4) 0.2300(4) 0.2797(4) 0.0210(9) Uani 1 1 d . . .
H17 H 0.794(4) 0.216(5) 0.364(5) 0.025 Uiso 1 1 d . . .
C18 C 0.8178(4) 0.1190(5) 0.2264(5) 0.0280(10) Uani 1 1 d . . .
H18A H 0.8544 0.0648 0.2880 0.06(2) Uiso 1 1 d R . .
H18B H 0.7478 0.0840 0.1543 0.018(11) Uiso 1 1 d R . .
C19 C 0.9156(4) 0.1770(5) 0.1931(5) 0.0307(11) Uani 1 1 d . . .
H19 H 0.966(5) 0.115(6) 0.176(5) 0.042(16) Uiso 1 1 d . . .
C20 C 0.8451(5) 0.2589(6) 0.0807(4) 0.0347(11) Uani 1 1 d . . .
H20A H 0.887(6) 0.275(8) 0.035(6) 0.07(2) Uiso 1 1 d . . .
H20B H 0.767(5) 0.220(5) 0.013(5) 0.035(14) Uiso 1 1 d . . .
C21 C 0.8084(5) 0.3729(5) 0.1350(5) 0.0306(11) Uani 1 1 d . . .
H21A H 0.722(5) 0.381(5) 0.097(4) 0.021(12) Uiso 1 1 d . . .
H21B H 0.847(5) 0.445(6) 0.125(5) 0.029(14) Uiso 1 1 d . . .
C22 C 0.8563(4) 0.3394(5) 0.2713(4) 0.0258(10) Uani 1 1 d . . .
C23 C 0.9811(4) 0.2698(5) 0.2990(4) 0.0291(10) Uani 1 1 d . . .
C24 C 0.8731(5) 0.4476(5) 0.3561(5) 0.0341(12) Uani 1 1 d . . .
H24A H 0.8807 0.4174 0.4345 0.11(3) Uiso 1 1 d R . .
H24B H 0.8001 0.5005 0.3271 0.07(2) Uiso 1 1 d R . .
H24C H 0.9443 0.4974 0.3660 0.030(14) Uiso 1 1 d R . .
C25 C 1.0784(4) 0.3486(5) 0.2819(5) 0.0350(12) Uani 1 1 d . . .
H25A H 1.1420 0.2992 0.2764 0.039(16) Uiso 1 1 d R . .
H25B H 1.1211 0.4051 0.3528 0.050(18) Uiso 1 1 d R . .
H25C H 1.0443 0.3997 0.2045 0.051(18) Uiso 1 1 d R . .
C26 C 1.0456(5) 0.2122(6) 0.4257(5) 0.0391(13) Uani 1 1 d . . .
H26A H 0.9914 0.1661 0.4487 0.044(17) Uiso 1 1 d R . .
H26B H 1.1029 0.1558 0.4287 0.052(19) Uiso 1 1 d R . .
H26C H 1.0918 0.2677 0.4920 0.07(2) Uiso 1 1 d R . .
Sb Sb 0.88558(3) 0.26075(3) 0.72125(3) 0.02876(10) Uani 1 1 d . . .
F1 F 1.0266(3) 0.3291(4) 0.7185(4) 0.0625(11) Uani 1 1 d . . .
F2 F 0.7424(3) 0.1940(4) 0.7236(3) 0.0563(10) Uani 1 1 d . . .
F3 F 0.7800(4) 0.3607(4) 0.5919(3) 0.0605(11) Uani 1 1 d . . .
F4 F 0.9847(4) 0.1558(4) 0.8495(3) 0.0585(10) Uani 1 1 d . . .
F5 F 0.8756(3) 0.1445(3) 0.6039(3) 0.0487(9) Uani 1 1 d . . .
F6 F 0.8927(3) 0.3813(3) 0.8350(3) 0.0435(8) 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 N2 76.57(14) . . ?
N1 Ru C5 125.03(16) . . ?
N2 Ru C5 157.16(15) . . ?
N1 Ru C2 114.67(15) . . ?
N2 Ru C2 98.67(15) . . ?
C5 Ru C2 79.75(18) . . ?
N1 Ru C6 96.92(16) . . ?
N2 Ru C6 160.80(15) . . ?
C5 Ru C6 37.24(17) . . ?
C2 Ru C6 67.29(16) . . ?
N1 Ru C3 151.89(15) . . ?
N2 Ru C3 97.90(15) . . ?
C5 Ru C3 66.71(18) . . ?
C2 Ru C3 38.08(17) . . ?
C6 Ru C3 79.24(17) . . ?
N1 Ru C1 91.86(15) . . ?
N2 Ru C1 123.52(15) . . ?
C5 Ru C1 67.95(16) . . ?
C2 Ru C1 37.31(16) . . ?
C6 Ru C1 37.77(16) . . ?
C3 Ru C1 67.93(16) . . ?
N1 Ru C4 162.75(15) . . ?
N2 Ru C4 120.45(15) . . ?
C5 Ru C4 37.73(17) . . ?
C2 Ru C4 68.08(17) . . ?
C6 Ru C4 67.87(17) . . ?
C3 Ru C4 36.81(17) . . ?
C1 Ru C4 80.96(16) . . ?
N1 Ru Cl 84.64(9) . . ?
N2 Ru Cl 82.93(10) . . ?
C5 Ru Cl 91.26(13) . . ?
C2 Ru Cl 160.54(13) . . ?
C6 Ru Cl 114.78(12) . . ?
C3 Ru Cl 122.46(12) . . ?
C1 Ru Cl 151.78(12) . . ?
C4 Ru Cl 94.26(12) . . ?
C15 N1 C11 119.5(4) . . ?
C15 N1 Ru 115.8(3) . . ?
C11 N1 Ru 124.6(3) . . ?
C16 N2 C17 114.1(3) . . ?
C16 N2 Ru 106.8(2) . . ?
C17 N2 Ru 118.8(3) . . ?
C16 N2 H2N 107(4) . . ?
C17 N2 H2N 106(3) . . ?
Ru N2 H2N 103(3) . . ?
C2 C1 C6 117.8(4) . . ?
C2 C1 C7 122.1(4) . . ?
C6 C1 C7 120.0(4) . . ?
C2 C1 Ru 70.2(2) . . ?
C6 C1 Ru 70.4(2) . . ?
C7 C1 Ru 133.1(3) . . ?
C1 C2 C3 120.7(4) . . ?
C1 C2 Ru 72.4(2) . . ?
C3 C2 Ru 71.6(2) . . ?
C1 C2 H2 120.1 . . ?
C3 C2 H2 119.1 . . ?
Ru C2 H2 129.3 . . ?
C4 C3 C2 121.8(4) . . ?
C4 C3 Ru 72.9(3) . . ?
C2 C3 Ru 70.3(2) . . ?
C4 C3 H3 118(3) . . ?
C2 C3 H3 119(4) . . ?
Ru C3 H3 122(4) . . ?
C3 C4 C5 116.7(4) . . ?
C3 C4 C10 122.5(4) . . ?
C5 C4 C10 120.7(4) . . ?
C3 C4 Ru 70.3(3) . . ?
C5 C4 Ru 69.0(3) . . ?
C10 C4 Ru 129.1(4) . . ?
C6 C5 C4 122.1(4) . . ?
C6 C5 Ru 71.9(3) . . ?
C4 C5 Ru 73.3(3) . . ?
C6 C5 H5 119(3) . . ?
C4 C5 H5 119(3) . . ?
Ru C5 H5 125(4) . . ?
C5 C6 C1 120.9(4) . . ?
C5 C6 Ru 70.9(3) . . ?
C1 C6 Ru 71.9(2) . . ?
C5 C6 H6 124(3) . . ?
C1 C6 H6 116(3) . . ?
Ru C6 H6 128(3) . . ?
C1 C7 C9 115.1(4) . . ?
C1 C7 C8 107.7(4) . . ?
C9 C7 C8 109.5(4) . . ?
C1 C7 H7 106(3) . . ?
C9 C7 H7 110(3) . . ?
C8 C7 H7 108(3) . . ?
C7 C8 H8A 109.1 . . ?
C7 C8 H8B 108.5 . . ?
H8A C8 H8B 115.3 . . ?
C7 C8 H8C 111.0 . . ?
H8A C8 H8C 108.0 . . ?
H8B C8 H8C 104.8 . . ?
C7 C9 H9A 110.4 . . ?
C7 C9 H9B 106.9 . . ?
H9A C9 H9B 113.6 . . ?
C7 C9 H9C 109.7 . . ?
H9A C9 H9C 108.2 . . ?
H9B C9 H9C 108.0 . . ?
C4 C10 H10A 113.1 . . ?
C4 C10 H10B 108.3 . . ?
H10A C10 H10B 103.7 . . ?
C4 C10 H10C 107.8 . . ?
H10A C10 H10C 110.0 . . ?
H10B C10 H10C 114.1 . . ?
N1 C11 C12 121.4(5) . . ?
N1 C11 H11 113(4) . . ?
C12 C11 H11 125(4) . . ?
C11 C12 C13 119.6(4) . . ?
C11 C12 H12 120(4) . . ?
C13 C12 H12 120(4) . . ?
C14 C13 C12 118.8(5) . . ?
C14 C13 H13 121.8 . . ?
C12 C13 H13 119.3 . . ?
C13 C14 C15 118.9(5) . . ?
C13 C14 H14 126(3) . . ?
C15 C14 H14 115(3) . . ?
N1 C15 C14 121.7(4) . . ?
N1 C15 C16 115.2(4) . . ?
C14 C15 C16 123.1(4) . . ?
N2 C16 C15 108.8(4) . . ?
N2 C16 H16A 108(4) . . ?
C15 C16 H16A 108(3) . . ?
N2 C16 H16B 108(3) . . ?
C15 C16 H16B 112(3) . . ?
H16A C16 H16B 112(4) . . ?
N2 C17 C18 109.5(4) . . ?
N2 C17 C22 117.2(4) . . ?
C18 C17 C22 103.4(3) . . ?
N2 C17 H17 106(3) . . ?
C18 C17 H17 111(3) . . ?
C22 C17 H17 110(3) . . ?
C19 C18 C17 102.8(4) . . ?
C19 C18 H18A 110.4 . . ?
C17 C18 H18A 106.7 . . ?
C19 C18 H18B 111.7 . . ?
C17 C18 H18B 111.6 . . ?
H18A C18 H18B 113.1 . . ?
C20 C19 C18 107.3(4) . . ?
C20 C19 C23 103.5(5) . . ?
C18 C19 C23 102.0(4) . . ?
C20 C19 H19 111(3) . . ?
C18 C19 H19 113(4) . . ?
C23 C19 H19 119(3) . . ?
C19 C20 C21 103.4(4) . . ?
C19 C20 H20A 115(5) . . ?
C21 C20 H20A 116(6) . . ?
C19 C20 H20B 115(3) . . ?
C21 C20 H20B 110(3) . . ?
H20A C20 H20B 98(5) . . ?
C22 C21 C20 103.3(4) . . ?
C22 C21 H21A 110(3) . . ?
C20 C21 H21A 109(3) . . ?
C22 C21 H21B 112(3) . . ?
C20 C21 H21B 111(3) . . ?
H21A C21 H21B 111(5) . . ?
C24 C22 C21 114.9(5) . . ?
C24 C22 C23 114.0(4) . . ?
C21 C22 C23 101.7(4) . . ?
C24 C22 C17 116.1(4) . . ?
C21 C22 C17 108.1(4) . . ?
C23 C22 C17 100.1(4) . . ?
C26 C23 C25 107.5(4) . . ?
C26 C23 C19 114.4(5) . . ?
C25 C23 C19 112.5(4) . . ?
C26 C23 C22 114.7(4) . . ?
C25 C23 C22 114.0(5) . . ?
C19 C23 C22 93.5(3) . . ?
C22 C24 H24A 109.2 . . ?
C22 C24 H24B 113.0 . . ?
H24A C24 H24B 103.2 . . ?
C22 C24 H24C 111.0 . . ?
H24A C24 H24C 112.2 . . ?
H24B C24 H24C 108.0 . . ?
C23 C25 H25A 111.7 . . ?
C23 C25 H25B 110.7 . . ?
H25A C25 H25B 107.2 . . ?
C23 C25 H25C 115.1 . . ?
H25A C25 H25C 104.0 . . ?
H25B C25 H25C 107.7 . . ?
C23 C26 H26A 114.5 . . ?
C23 C26 H26B 110.4 . . ?
H26A C26 H26B 103.4 . . ?
C23 C26 H26C 115.6 . . ?
H26A C26 H26C 107.1 . . ?
H26B C26 H26C 104.8 . . ?
F1 Sb F3 91.4(2) . . ?
F1 Sb F4 91.2(2) . . ?
F3 Sb F4 177.2(2) . . ?
F1 Sb F2 179.2(2) . . ?
F3 Sb F2 87.94(18) . . ?
F4 Sb F2 89.40(19) . . ?
F1 Sb F5 90.16(17) . . ?
F3 Sb F5 87.89(17) . . ?
F4 Sb F5 91.34(17) . . ?
F2 Sb F5 90.32(17) . . ?
F1 Sb F6 89.62(16) . . ?
F3 Sb F6 90.23(17) . . ?
F4 Sb F6 90.55(16) . . ?
F2 Sb F6 89.88(16) . . ?
F5 Sb F6 178.10(17) . . ?
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 2.089(4) . ?
Ru N2 2.154(4) . ?
Ru C5 2.185(5) . ?
Ru C2 2.189(4) . ?
Ru C6 2.198(4) . ?
Ru C3 2.207(4) . ?
Ru C1 2.218(4) . ?
Ru C4 2.241(5) . ?
Ru Cl 2.3934(10) . ?
N1 C15 1.343(6) . ?
N1 C11 1.350(5) . ?
N2 C16 1.478(6) . ?
N2 C17 1.510(5) . ?
N2 H2N 0.84(5) . ?
C1 C2 1.410(6) . ?
C1 C6 1.430(6) . ?
C1 C7 1.520(6) . ?
C2 C3 1.434(6) . ?
C2 H2 0.8935 . ?
C3 C4 1.404(7) . ?
C3 H3 0.90(5) . ?
C4 C5 1.432(6) . ?
C4 C10 1.503(7) . ?
C5 C6 1.400(7) . ?
C5 H5 0.89(6) . ?
C6 H6 0.99(5) . ?
C7 C9 1.526(7) . ?
C7 C8 1.537(6) . ?
C7 H7 0.96(5) . ?
C8 H8A 0.9720 . ?
C8 H8B 0.9135 . ?
C8 H8C 0.9733 . ?
C9 H9A 0.9744 . ?
C9 H9B 0.9652 . ?
C9 H9C 0.9622 . ?
C10 H10A 1.0798 . ?
C10 H10B 0.9899 . ?
C10 H10C 0.9372 . ?
C11 C12 1.378(7) . ?
C11 H11 1.00(7) . ?
C12 C13 1.389(8) . ?
C12 H12 0.97(6) . ?
C13 C14 1.387(7) . ?
C13 H13 0.8904 . ?
C14 C15 1.391(7) . ?
C14 H14 0.91(6) . ?
C15 C16 1.509(6) . ?
C16 H16A 0.99(6) . ?
C16 H16B 1.06(5) . ?
C17 C18 1.563(6) . ?
C17 C22 1.570(6) . ?
C17 H17 0.96(5) . ?
C18 C19 1.536(7) . ?
C18 H18A 0.8993 . ?
C18 H18B 0.9775 . ?
C19 C20 1.531(7) . ?
C19 C23 1.546(7) . ?
C19 H19 0.99(6) . ?
C20 C21 1.560(8) . ?
C20 H20A 0.92(7) . ?
C20 H20B 1.02(6) . ?
C21 C22 1.538(7) . ?
C21 H21A 0.92(5) . ?
C21 H21B 0.95(6) . ?
C22 C24 1.521(7) . ?
C22 C23 1.569(6) . ?
C23 C26 1.517(7) . ?
C23 C25 1.534(7) . ?
C24 H24A 0.9756 . ?
C24 H24B 0.9703 . ?
C24 H24C 0.9703 . ?
C25 H25A 0.9581 . ?
C25 H25B 0.9948 . ?
C25 H25C 1.0109 . ?
C26 H26A 0.9570 . ?
C26 H26B 0.9092 . ?
C26 H26C 0.9588 . ?
Sb F1 1.857(3) . ?
Sb F3 1.863(3) . ?
Sb F4 1.868(3) . ?
Sb F2 1.873(3) . ?
Sb F5 1.874(3) . ?
Sb F6 1.884(3) . ?
