#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/20/29/2202978.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2202978
loop_
_publ_author_name
'Gao, LiBin'
'Zhang, Liyi'
'Chen, Zhongning'
_publ_section_title
;Tetrakis(μ₂-anilinopyridinato-κ²N:N')aquadiruthenium(II,III)
 hexafluoroantimonate diethyl ether solvate
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m419
_journal_page_last               m420
_journal_paper_doi               10.1107/S1600536803011760
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          '[Ru2 (C11 H9 N2)4 (H2 O)] [Sb F6], C4 H10 O'
_chemical_formula_moiety         'C44 H38 N8 O Ru2, C4 H10 O, F6 Sb'
_chemical_formula_sum            'C48 H48 F6 N8 O2 Ru2 Sb'
_chemical_formula_weight         1206.83
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 94.8600(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.13850(10)
_cell_length_b                   22.5901(5)
_cell_length_c                   21.0672(5)
_cell_measurement_reflns_used    5202
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.50
_cell_measurement_theta_min      1.32
_cell_volume                     4807.67(16)
_computing_cell_refinement       'SMART and SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1994)'
_computing_data_reduction        'XPREP (Siemens, 1997)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXL97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Siemens SMART CCD'
_diffrn_measurement_method       'φ and ω'
_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  0.0483
_diffrn_reflns_av_sigmaI/netI    0.0699
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            15139
_diffrn_reflns_theta_full        25.07
_diffrn_reflns_theta_max         25.07
_diffrn_reflns_theta_min         1.32
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.249
_exptl_absorpt_correction_T_max  .687
_exptl_absorpt_correction_T_min  .433
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            'deep red'
_exptl_crystal_density_diffrn    1.667
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2404
_exptl_crystal_size_max          .72
_exptl_crystal_size_mid          .46
_exptl_crystal_size_min          .30
_refine_diff_density_max         0.888
_refine_diff_density_min         -0.748
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.167
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     604
_refine_ls_number_reflns         8405
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.167
_refine_ls_R_factor_all          0.1343
_refine_ls_R_factor_gt           0.0862
_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)+(0.0478P)²+41.1320P] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1676
_refine_ls_wR_factor_ref         0.1991
_reflns_number_gt                5834
_reflns_number_total             8405
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ww6071.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_Hall     '-P 2yn '
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C48 H48 F6 N8 O2  Ru2 Sb'
_cod_database_code               2202978
_cod_database_fobs_code          2202978
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Ru1 0.56687(9) 0.03481(4) 0.71563(4) 0.0453(2) Uani d . 1 . . Ru
Ru2 0.57751(8) -0.05181(3) 0.77213(4) 0.0386(2) Uani d . 1 . . Ru
Sb 0.91245(12) 0.18550(6) 0.52021(6) 0.1028(4) Uani d . 1 . . Sb
O1 0.5563(7) 0.1118(3) 0.6675(3) 0.0474(17) Uani d . 1 . . O
O02 0.9038(17) 0.2341(6) 0.9673(7) 0.148(5) Uani d . 1 . . O
N1 0.5037(8) 0.0771(4) 0.7940(4) 0.046(2) Uani d . 1 . . N
N2 0.4719(8) -0.0150(3) 0.8383(3) 0.0422(19) Uani d . 1 . . N
N3 0.7603(8) 0.0518(3) 0.7474(4) 0.0426(19) Uani d . 1 . . N
N4 0.7466(7) -0.0231(3) 0.8209(3) 0.0372(18) Uani d . 1 . . N
N5 0.3745(9) 0.0139(4) 0.6830(4) 0.051(2) Uani d . 1 . . N
N6 0.4088(8) -0.0803(4) 0.7237(3) 0.0417(19) Uani d . 1 . . N
N7 0.6359(8) -0.0082(4) 0.6396(3) 0.048(2) Uani d . 1 . . N
N8 0.6852(8) -0.0880(3) 0.7065(4) 0.0422(19) Uani d . 1 . . N
F1 0.866(3) 0.2540(7) 0.4994(12) 0.391(18) Uani d . 1 . . F
F2 0.945(2) 0.1071(9) 0.5303(13) 0.339(14) Uani d . 1 . . F
F3 0.967(2) 0.1745(13) 0.4429(10) 0.326(13) Uani d . 1 . . F
F4 1.0718(18) 0.1928(11) 0.5543(11) 0.321(12) Uani d . 1 . . F
F5 0.8498(18) 0.1854(10) 0.5942(6) 0.270(10) Uani d . 1 . . F
F6 0.7503(15) 0.1608(12) 0.4869(8) 0.303(12) Uani d . 1 . . F
C01 0.917(3) 0.2865(10) 1.0009(14) 0.198(13) Uani d . 1 . . C
H01A 0.9085 0.3226 0.9798 0.237 Uiso calc R 1 . . H
C02 0.942(4) 0.2849(11) 1.0639(13) 0.26(2) Uani d . 1 . . C
H02A 0.9475 0.3245 1.0803 0.388 Uiso calc R 1 . . H
H02B 1.0245 0.2648 1.0745 0.388 Uiso calc R 1 . . H
H02C 0.8721 0.2641 1.0824 0.388 Uiso calc R 1 . . H
C03 0.821(3) 0.2307(12) 0.9105(10) 0.177(11) Uani d . 1 . . C
H03A 0.7668 0.2609 0.8934 0.212 Uiso calc R 1 . . H
C04 0.833(2) 0.1736(8) 0.8836(8) 0.123(7) Uani d . 1 . . C
H04A 0.7766 0.1709 0.8448 0.184 Uiso calc R 1 . . H
H04B 0.8074 0.1442 0.9131 0.184 Uiso calc R 1 . . H
H04C 0.9232 0.1670 0.8748 0.184 Uiso calc R 1 . . H
C12 0.4980(12) 0.1373(5) 0.7978(6) 0.064(3) Uani d . 1 . . C
H12A 0.5291 0.1594 0.7650 0.077 Uiso calc R 1 . . H
C13 0.4490(13) 0.1668(5) 0.8474(6) 0.068(3) Uani d . 1 . . C
H13A 0.4480 0.2080 0.8487 0.081 Uiso calc R 1 . . H
C14 0.4015(13) 0.1341(5) 0.8952(6) 0.066(3) Uani d . 1 . . C
H14A 0.3656 0.1533 0.9287 0.079 Uiso calc R 1 . . H
C15 0.4059(11) 0.0739(5) 0.8943(5) 0.053(3) Uani d . 1 . . C
H15A 0.3746 0.0521 0.9273 0.064 Uiso calc R 1 . . H
C16 0.4586(9) 0.0452(4) 0.8428(4) 0.041(2) Uani d . 1 . . C
C21 0.3929(11) -0.0508(4) 0.8760(5) 0.047(2) Uani d . 1 . . C
C22 0.2578(11) -0.0547(5) 0.8587(5) 0.054(3) Uani d . 1 . . C
H22A 0.2198 -0.0318 0.8253 0.065 Uiso calc R 1 . . H
C23 0.1807(12) -0.0923(5) 0.8906(6) 0.066(3) Uani d . 1 . . C
H23A 0.0902 -0.0943 0.8789 0.079 Uiso calc R 1 . . H
C24 0.2341(13) -0.1265(6) 0.9390(6) 0.071(4) Uani d . 1 . . C
H24A 0.1809 -0.1521 0.9601 0.086 Uiso calc R 1 . . H
C25 0.3677(14) -0.1229(6) 0.9567(6) 0.081(4) Uani d . 1 . . C
H25A 0.4046 -0.1462 0.9900 0.098 Uiso calc R 1 . . H
C26 0.4475(13) -0.0851(6) 0.9255(5) 0.069(3) Uani d . 1 . . C
H26A 0.5376 -0.0828 0.9378 0.083 Uiso calc R 1 . . H
C32 0.8317(12) 0.0926(5) 0.7174(5) 0.057(3) Uani d . 1 . . C
H32A 0.7908 0.1131 0.6828 0.068 Uiso calc R 1 . . H
C33 0.9601(13) 0.1046(6) 0.7359(6) 0.072(4) Uani d . 1 . . C
H33A 1.0057 0.1332 0.7147 0.086 Uiso calc R 1 . . H
C34 1.0236(12) 0.0736(5) 0.7871(6) 0.065(3) Uani d . 1 . . C
H34A 1.1122 0.0806 0.8000 0.079 Uiso calc R 1 . . H
C35 0.9532(10) 0.0327(5) 0.8179(5) 0.056(3) Uani d . 1 . . C
H35A 0.9936 0.0127 0.8530 0.067 Uiso calc R 1 . . H
C36 0.8194(10) 0.0200(4) 0.7974(4) 0.042(2) Uani d . 1 . . C
C41 0.7863(9) -0.0461(4) 0.8824(4) 0.038(2) Uani d . 1 . . C
C42 0.7983(11) -0.1065(5) 0.8918(5) 0.053(3) Uani d . 1 . . C
H42A 0.7824 -0.1320 0.8574 0.064 Uiso calc R 1 . . H
C43 0.8334(13) -0.1295(6) 0.9515(6) 0.069(4) Uani d . 1 . . C
H43A 0.8413 -0.1702 0.9571 0.083 Uiso calc R 1 . . H
C44 0.8566(12) -0.0923(7) 1.0026(5) 0.071(4) Uani d . 1 . . C
H44A 0.8818 -0.1075 1.0428 0.085 Uiso calc R 1 . . H
C45 0.8421(13) -0.0326(6) 0.9936(6) 0.073(4) Uani d . 1 . . C
H45A 0.8575 -0.0071 1.0282 0.087 Uiso calc R 1 . . H
C46 0.8054(12) -0.0099(5) 0.9347(5) 0.056(3) Uani d . 1 . . C
H46A 0.7932 0.0307 0.9299 0.068 Uiso calc R 1 . . H
C52 0.3303(10) -0.0424(5) 0.6892(4) 0.046(2) Uani d . 1 . . C
C53 0.2013(12) -0.0563(6) 0.6614(5) 0.066(3) Uani d . 1 . . C
H53A 0.1697 -0.0948 0.6638 0.079 Uiso calc R 1 . . H
C54 0.1235(12) -0.0140(7) 0.6313(6) 0.077(4) Uani d . 1 . . C
H54A 0.0389 -0.0233 0.6136 0.093 Uiso calc R 1 . . H
C55 0.1717(12) 0.0429(6) 0.6273(5) 0.068(4) Uani d . 1 . . C
H55A 0.1200 0.0721 0.6064 0.082 Uiso calc R 1 . . H
C56 0.2935(11) 0.0560(5) 0.6537(5) 0.060(3) Uani d . 1 . . C
H56A 0.3238 0.0947 0.6519 0.072 Uiso calc R 1 . . H
C61 0.3826(10) -0.1419(5) 0.7209(5) 0.050(3) Uani d . 1 . . C
C62 0.3671(13) -0.1715(6) 0.6626(6) 0.076(4) Uani d . 1 . . C
H62A 0.3700 -0.1508 0.6246 0.091 Uiso calc R 1 . . H
C63 0.3470(17) -0.2331(7) 0.6622(9) 0.109(6) Uani d . 1 . . C
H63A 0.3355 -0.2533 0.6236 0.131 Uiso calc R 1 . . H
C64 0.3445(15) -0.2626(6) 0.7169(9) 0.100(6) Uani d . 1 . . C
H64A 0.3303 -0.3033 0.7157 0.120 Uiso calc R 1 . . H
C65 0.3620(14) -0.2352(6) 0.7740(7) 0.078(4) Uani d . 1 . . C
H65A 0.3605 -0.2568 0.8116 0.093 Uiso calc R 1 . . H
C66 0.3822(11) -0.1742(5) 0.7760(6) 0.058(3) Uani d . 1 . . C
H66A 0.3957 -0.1551 0.8151 0.069 Uiso calc R 1 . . H
C72 0.6386(13) 0.0186(6) 0.5824(5) 0.071(4) Uani d . 1 . . C
H72A 0.5972 0.0552 0.5764 0.085 Uiso calc R 1 . . H
C73 0.6996(15) -0.0056(7) 0.5331(6) 0.083(4) Uani d . 1 . . C
H73A 0.7017 0.0144 0.4946 0.100 Uiso calc R 1 . . H
C74 0.7570(14) -0.0598(7) 0.5417(6) 0.079(4) Uani d . 1 . . C
H74A 0.7975 -0.0770 0.5083 0.095 Uiso calc R 1 . . H
C75 0.7568(12) -0.0895(6) 0.5981(5) 0.063(3) Uani d . 1 . . C
H75A 0.7970 -0.1263 0.6036 0.076 Uiso calc R 1 . . H
C76 0.6934(10) -0.0624(5) 0.6479(4) 0.048(3) Uani d . 1 . . C
C81 0.7720(10) -0.1356(5) 0.7259(4) 0.046(2) Uani d . 1 . . C
C82 0.9079(12) -0.1262(6) 0.7313(5) 0.063(3) Uani d . 1 . . C
H82A 0.9423 -0.0905 0.7181 0.076 Uiso calc R 1 . . H
C83 0.9918(13) -0.1702(6) 0.7564(6) 0.075(4) Uani d . 1 . . C
H83A 1.0829 -0.1641 0.7592 0.090 Uiso calc R 1 . . H
C84 0.9436(15) -0.2222(6) 0.7769(6) 0.079(4) Uani d . 1 . . C
H84A 1.0011 -0.2512 0.7942 0.095 Uiso calc R 1 . . H
C85 0.8114(15) -0.2316(5) 0.7719(6) 0.073(4) Uani d . 1 . . C
H85A 0.7779 -0.2671 0.7861 0.088 Uiso calc R 1 . . H
C86 0.7255(12) -0.1886(5) 0.7459(6) 0.061(3) Uani d . 1 . . C
H86A 0.6350 -0.1960 0.7420 0.074 Uiso calc R 1 . . H
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'
O O 0.0106 0.0060 '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'
Sb Sb -0.5866 1.5461 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
O1 Ru1 N7 91.3(3) yes
O1 Ru1 N3 90.6(3) ?
N7 Ru1 N3 87.9(3) yes
O1 Ru1 N1 89.8(3) ?
N7 Ru1 N1 177.9(3) ?
N3 Ru1 N1 90.3(3) yes
O1 Ru1 N5 91.3(3) ?
N7 Ru1 N5 90.4(3) ?
N3 Ru1 N5 177.5(3) ?
N1 Ru1 N5 91.4(3) yes
O1 Ru1 Ru2 178.9(2) ?
N7 Ru1 Ru2 89.8(2) yes
N3 Ru1 Ru2 89.4(2) ?
N1 Ru1 Ru2 89.1(2) ?
N5 Ru1 Ru2 88.8(2) ?
N8 Ru2 N2 179.2(3) yes
N8 Ru2 N6 90.5(3) ?
N2 Ru2 N6 90.3(3) ?
N8 Ru2 N4 89.6(3) ?
N2 Ru2 N4 89.6(3) yes
N6 Ru2 N4 179.9(4) ?
N8 Ru2 Ru1 89.6(2) ?
N2 Ru2 Ru1 90.2(2) ?
N6 Ru2 Ru1 90.5(2) ?
N4 Ru2 Ru1 89.5(2) yes
F1 Sb F4 104.8(14) ?
F1 Sb F5 97.0(10) ?
F4 Sb F5 91.6(10) yes
F1 Sb F3 89.5(11) ?
F4 Sb F3 92.4(11) ?
F5 Sb F3 171.3(12) ?
F1 Sb F2 169.8(13) ?
F4 Sb F2 83.8(11) yes
F5 Sb F2 88.2(12) ?
F3 Sb F2 84.5(12) ?
F1 Sb F6 87.6(13) ?
F4 Sb F6 167.6(12) yes
F5 Sb F6 87.6(8) ?
F3 Sb F6 86.9(10) ?
F2 Sb F6 83.8(11) ?
C01 O02 C03 121(2) ?
C12 N1 C16 117.6(9) ?
C12 N1 Ru1 121.9(7) yes
C16 N1 Ru1 120.4(7) ?
C16 N2 C21 117.4(8) ?
C16 N2 Ru2 121.4(6) ?
C21 N2 Ru2 120.7(6) ?
C32 N3 C36 119.8(9) ?
C32 N3 Ru1 120.4(7) ?
C36 N3 Ru1 119.7(6) ?
C36 N4 C41 118.7(8) ?
C36 N4 Ru2 120.8(6) yes
C41 N4 Ru2 120.4(6) ?
C52 N5 C56 120.2(10) ?
C52 N5 Ru1 119.5(7) ?
C56 N5 Ru1 120.3(8) ?
C52 N6 C61 120.3(8) ?
C52 N6 Ru2 120.5(7) yes
C61 N6 Ru2 118.8(6) ?
C72 N7 C76 118.6(9) ?
C72 N7 Ru1 121.2(8) ?
C76 N7 Ru1 119.8(6) ?
C76 N8 C81 119.6(8) yes
C76 N8 Ru2 121.8(7) ?
C81 N8 Ru2 117.8(6) ?
C02 C01 O02 119(2) ?
C02 C01 H01A 120.3 ?
O02 C01 H01A 120.3 ?
C01 C02 H02A 109.5 ?
C01 C02 H02B 109.5 ?
H02A C02 H02B 109.5 yes
C01 C02 H02C 109.5 ?
H02A C02 H02C 109.5 ?
H02B C02 H02C 109.5 ?
O02 C03 C04 109.0(19) yes
O02 C03 H03A 125.5 ?
C04 C03 H03A 125.5 ?
C03 C04 H04A 109.5 ?
C03 C04 H04B 109.5 ?
H04A C04 H04B 109.5 ?
C03 C04 H04C 109.5 ?
H04A C04 H04C 109.5 ?
H04B C04 H04C 109.5 ?
N1 C12 C13 123.5(11) yes
N1 C12 H12A 118.3 ?
C13 C12 H12A 118.3 ?
C12 C13 C14 118.1(11) ?
C12 C13 H13A 120.9 ?
C14 C13 H13A 120.9 ?
C15 C14 C13 121.1(11) ?
C15 C14 H14A 119.5 ?
C13 C14 H14A 119.5 ?
C14 C15 C16 119.1(11) yes
C14 C15 H15A 120.4 ?
C16 C15 H15A 120.4 ?
N1 C16 N2 115.4(9) ?
N1 C16 C15 120.6(9) ?
N2 C16 C15 123.9(9) ?
C26 C21 C22 119.2(10) ?
C26 C21 N2 122.1(10) ?
C22 C21 N2 118.5(9) ?
C23 C22 C21 120.1(11) yes
C23 C22 H22A 119.9 ?
C21 C22 H22A 119.9 ?
C24 C23 C22 121.0(12) ?
C24 C23 H23A 119.5 ?
C22 C23 H23A 119.5 ?
C23 C24 C25 119.5(12) ?
C23 C24 H24A 120.3 ?
C25 C24 H24A 120.3 ?
C24 C25 C26 120.6(12) ?
C24 C25 H25A 119.7 ?
C26 C25 H25A 119.7 ?
C21 C26 C25 119.7(12) ?
C21 C26 H26A 120.2 ?
C25 C26 H26A 120.2 ?
C33 C32 N3 122.5(11) ?
C33 C32 H32A 118.8 ?
N3 C32 H32A 118.8 ?
C32 C33 C34 119.4(12) ?
C32 C33 H33A 120.3 ?
C34 C33 H33A 120.3 ?
C35 C34 C33 118.8(12) ?
C35 C34 H34A 120.6 ?
C33 C34 H34A 120.6 ?
C34 C35 C36 121.1(11) ?
C34 C35 H35A 119.4 ?
C36 C35 H35A 119.4 ?
N4 C36 N3 116.5(9) ?
N4 C36 C35 125.1(9) ?
N3 C36 C35 118.3(9) ?
C46 C41 C42 117.9(9) ?
C46 C41 N4 121.5(9) ?
C42 C41 N4 120.4(9) ?
C43 C42 C41 121.0(11) yes
C43 C42 H42A 119.5 ?
C41 C42 H42A 119.5 ?
C44 C43 C42 120.0(11) ?
C44 C43 H43A 120.0 ?
C42 C43 H43A 120.0 ?
C45 C44 C43 119.2(11) ?
C45 C44 H44A 120.4 ?
C43 C44 H44A 120.4 ?
C46 C45 C44 120.8(11) yes
C46 C45 H45A 119.6 ?
C44 C45 H45A 119.6 ?
C45 C46 C41 121.0(11) ?
C45 C46 H46A 119.5 ?
C41 C46 H46A 119.5 ?
N6 C52 N5 117.7(9) ?
N6 C52 C53 124.4(10) ?
N5 C52 C53 117.8(10) ?
C54 C53 C52 120.9(13) yes
C54 C53 H53A 119.6 ?
C52 C53 H53A 119.6 ?
C53 C54 C55 119.2(12) ?
C53 C54 H54A 120.4 ?
C55 C54 H54A 120.4 ?
C56 C55 C54 119.8(11) ?
C56 C55 H55A 120.1 ?
C54 C55 H55A 120.1 ?
C55 C56 N5 122.0(12) ?
C55 C56 H56A 119.0 ?
N5 C56 H56A 119.0 ?
C66 C61 C62 118.8(11) ?
C66 C61 N6 120.1(9) ?
C62 C61 N6 120.9(10) ?
C61 C62 C63 119.0(14) ?
C61 C62 H62A 120.5 ?
C63 C62 H62A 120.5 ?
C64 C63 C62 120.2(14) yes
C64 C63 H63A 119.9 ?
C62 C63 H63A 119.9 ?
C63 C64 C65 122.0(14) ?
C63 C64 H64A 119.0 ?
C65 C64 H64A 119.0 ?
C64 C65 C66 119.1(13) ?
C64 C65 H65A 120.4 ?
C66 C65 H65A 120.4 ?
C61 C66 C65 120.8(12) ?
C61 C66 H66A 119.6 ?
C65 C66 H66A 119.6 ?
N7 C72 C73 122.8(12) ?
N7 C72 H72A 118.6 ?
C73 C72 H72A 118.6 ?
C74 C73 C72 118.3(12) ?
C74 C73 H73A 120.8 ?
C72 C73 H73A 120.8 ?
C73 C74 C75 121.7(12) ?
C73 C74 H74A 119.1 ?
C75 C74 H74A 119.1 ?
C74 C75 C76 117.9(12) yes
C74 C75 H75A 121.1 ?
C76 C75 H75A 121.1 ?
N7 C76 N8 116.0(9) ?
N7 C76 C75 120.6(9) ?
N8 C76 C75 123.4(10) ?
C86 C81 C82 118.3(11) ?
C86 C81 N8 121.9(10) ?
C82 C81 N8 119.4(10) ?
C83 C82 C81 119.6(12) yes
C83 C82 H82A 120.2 ?
C81 C82 H82A 120.2 ?
C84 C83 C82 121.2(13) ?
C84 C83 H83A 119.4 ?
C82 C83 H83A 119.4 ?
C85 C84 C83 119.5(12) ?
C85 C84 H84A 120.3 ?
C83 C84 H84A 120.3 ?
C84 C85 C86 120.4(13) yes
C84 C85 H85A 119.8 ?
C86 C85 H85A 119.8 ?
C81 C86 C85 121.0(12) ?
C81 C86 H86A 119.5 ?
C85 C86 H86A 119.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ru1 O1 . 2.012(6) yes
Ru1 N7 . 2.048(8) yes
Ru1 N3 . 2.054(8) yes
Ru1 N1 . 2.056(8) yes
Ru1 N5 . 2.067(9) yes
Ru1 Ru2 . 2.2882(11) yes
Ru2 N8 . 2.007(8) yes
Ru2 N2 . 2.008(8) ?
Ru2 N6 . 2.022(8) yes
Ru2 N4 . 2.029(7) ?
Sb F1 . 1.666(14) ?
Sb F4 . 1.719(17) yes
Sb F5 . 1.732(13) ?
Sb F3 . 1.781(18) yes
Sb F2 . 1.810(19) ?
Sb F6 . 1.820(17) yes
O02 C01 . 1.38(3) ?
O02 C03 . 1.40(2) ?
N1 C12 . 1.364(13) ?
N1 C16 . 1.368(12) ?
N2 C16 . 1.371(12) ?
N2 C21 . 1.426(12) ?
N3 C32 . 1.361(13) ?
N3 C36 . 1.370(12) ?
N4 C36 . 1.343(12) ?
N4 C41 . 1.421(11) ?
N5 C52 . 1.357(13) ?
N5 C56 . 1.369(13) ?
N6 C52 . 1.341(12) ?
N6 C61 . 1.417(12) ?
N7 C72 . 1.351(13) ?
N7 C76 . 1.359(13) ?
N8 C76 . 1.371(12) ?
N8 C81 . 1.428(12) ?
C01 C02 . 1.33(3) ?
C01 H01A . 0.9300 ?
C02 H02A . 0.9600 ?
C02 H02B . 0.9600 ?
C02 H02C . 0.9600 ?
C03 C04 . 1.42(3) ?
C03 H03A . 0.9300 ?
C04 H04A . 0.9600 ?
C04 H04B . 0.9600 ?
C04 H04C . 0.9600 ?
C12 C13 . 1.368(16) ?
C12 H12A . 0.9300 ?
C13 C14 . 1.368(16) ?
C13 H13A . 0.9300 ?
C14 C15 . 1.360(15) ?
C14 H14A . 0.9300 ?
C15 C16 . 1.408(14) ?
C15 H15A . 0.9300 ?
C21 C26 . 1.376(14) ?
C21 C22 . 1.390(14) ?
C22 C23 . 1.369(15) ?
C22 H22A . 0.9300 ?
C23 C24 . 1.356(17) ?
C23 H23A . 0.9300 ?
C24 C25 . 1.377(17) ?
C24 H24A . 0.9300 ?
C25 C26 . 1.382(16) ?
C25 H25A . 0.9300 ?
C26 H26A . 0.9300 ?
C32 C33 . 1.354(16) ?
C32 H32A . 0.9300 ?
C33 C34 . 1.397(17) ?
C33 H33A . 0.9300 ?
C34 C35 . 1.365(15) ?
C34 H34A . 0.9300 ?
C35 C36 . 1.417(14) ?
C35 H35A . 0.9300 ?
C41 C46 . 1.373(13) ?
C41 C42 . 1.382(13) ?
C42 C43 . 1.379(14) ?
C42 H42A . 0.9300 ?
C43 C44 . 1.369(17) ?
C43 H43A . 0.9300 ?
C44 C45 . 1.369(17) yes
C44 H44A . 0.9300 ?
C45 C46 . 1.366(15) yes
C45 H45A . 0.9300 ?
C46 H46A . 0.9300 ?
C52 C53 . 1.422(15) yes
C53 C54 . 1.362(16) ?
C53 H53A . 0.9300 ?
C54 C55 . 1.379(18) ?
C54 H54A . 0.9300 ?
C55 C56 . 1.343(16) ?
C55 H55A . 0.9300 ?
C56 H56A . 0.9300 ?
C61 C66 . 1.370(15) ?
C61 C62 . 1.395(15) ?
C62 C63 . 1.406(19) ?
C62 H62A . 0.9300 ?
C63 C64 . 1.33(2) ?
C63 H63A . 0.9300 ?
C64 C65 . 1.35(2) ?
C64 H64A . 0.9300 ?
C65 C66 . 1.394(16) ?
C65 H65A . 0.9300 ?
C66 H66A . 0.9300 ?
C72 C73 . 1.368(17) ?
C72 H72A . 0.9300 ?
C73 C74 . 1.361(18) ?
C73 H73A . 0.9300 ?
C74 C75 . 1.364(16) ?
C74 H74A . 0.9300 ?
C75 C76 . 1.416(14) ?
C75 H75A . 0.9300 ?
C81 C86 . 1.368(15) ?
C81 C82 . 1.389(15) ?
C82 C83 . 1.385(16) ?
C82 H82A . 0.9300 ?
C83 C84 . 1.357(19) yes
C83 H83A . 0.9300 ?
C84 C85 . 1.352(18) ?
C84 H84A . 0.9300 ?
C85 C86 . 1.385(16) yes
C85 H85A . 0.9300 ?
C86 H86A . 0.9300 ?
