#------------------------------------------------------------------------------
#$Date: 2021-07-07 11:43:57 +0300 (Wed, 07 Jul 2021) $
#$Revision: 267324 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/39/1563998.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_1563998
loop_
_publ_author_name
'Harringer, Sophia'
'Matzinger, Manuel'
'Gajic, Natalie'
'Hejl, Michaela'
'Jakupec, Michael A.'
'Kandioller, Wolfgang'
'Keppler, Bernhard K.'
_publ_section_title
;
 First insights into the novel class of organometallic compounds bearing a
 bidentate selenopyridone coordination motif: Synthesis, characterization,
 stability and biological investigations
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119919
_journal_paper_doi               10.1016/j.ica.2020.119919
_journal_volume                  513
_journal_year                    2020
_chemical_formula_moiety         'C34 H44 N2 O2 Ru2 Se2, 2(Cl), 6(H2 O)'
_chemical_formula_sum            'C34 H56 Cl2 N2 O8 Ru2 Se2'
_chemical_formula_weight         1051.76
_chemical_name_systematic
;
Chlorido[1,2-dimethyl-3-oxo-\kO-pyridine-4(1H)
-selonato-\kSe](η6-p-cymene)-ruthenium(II)
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_cell_angle_alpha                98.869(2)
_cell_angle_beta                 106.802(2)
_cell_angle_gamma                115.474(2)
_cell_formula_units_Z            2
_cell_length_a                   12.8659(6)
_cell_length_b                   13.4894(7)
_cell_length_c                   14.2629(7)
_cell_measurement_reflns_used    9988
_cell_measurement_temperature    300
_cell_measurement_theta_max      25.325
_cell_measurement_theta_min      2.545
_cell_volume                     2025.19(18)
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       APEX2
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_temperature      300
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker X8 APEX2'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0311
_diffrn_reflns_av_unetI/netI     0.0352
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            22627
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.374
_diffrn_reflns_theta_min         1.575
_diffrn_source                   'Sealed xray tube'
_diffrn_source_type              'Incoatec IuS'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.724
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6051
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction. 
wR2(int) was 0.1041 before and 0.0425 after correction. 
The Ratio of minimum to maximum transmission is 0.8120.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            'clear red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.725
_exptl_crystal_density_meas      .
_exptl_crystal_description       plate
_exptl_crystal_F_000             1056
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.126
_refine_diff_density_min         -0.894
_refine_diff_density_rms         0.091
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     504
_refine_ls_number_reflns         7360
_refine_ls_number_restraints     55
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0360
_refine_ls_R_factor_gt           0.0293
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0271P)²+3.6819P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0676
_refine_ls_wR_factor_ref         0.0708
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6401
_reflns_number_total             7360
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ICA-2020-513-1199191.cif
_cod_data_source_block           mama40_3_p-1
_cod_database_code               1563998
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.899
_shelx_estimated_absorpt_t_min   0.586
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1A Ru 0.35960(2) 0.50775(2) 0.18380(2) 0.01583(8) Uani 1 1 d . . . . .
Ru1B Ru 0.27808(2) 0.68800(2) 0.33476(2) 0.01748(8) Uani 1 1 d . . . . .
Se1A Se 0.19237(3) 0.56020(3) 0.15043(3) 0.01814(9) Uani 1 1 d . . . . .
Se1B Se 0.38374(3) 0.57150(3) 0.36907(3) 0.01873(9) Uani 1 1 d . . . . .
O1A O 0.2146(2) 0.34200(19) 0.15978(18) 0.0196(5) Uani 1 1 d . . . . .
O1B O 0.1356(2) 0.5591(2) 0.3600(2) 0.0257(6) Uani 1 1 d . . . . .
N1A N -0.1116(3) 0.1916(3) 0.1146(2) 0.0274(7) Uani 1 1 d . . . . .
N1B N 0.0405(3) 0.2825(3) 0.3986(2) 0.0297(7) Uani 1 1 d . . . . .
C1A C 0.0067(3) 0.2119(3) 0.1344(3) 0.0243(8) Uani 1 1 d . . . . .
C2A C 0.1002(3) 0.3234(3) 0.1446(3) 0.0215(8) Uani 1 1 d . . . . .
C3A C 0.0662(3) 0.4101(3) 0.1380(3) 0.0216(8) Uani 1 1 d . . . . .
C4A C -0.0551(3) 0.3833(3) 0.1197(3) 0.0289(9) Uani 1 1 d . . . . .
H4A H -0.077241 0.440187 0.115753 0.035 Uiso 1 1 calc R . . . .
C5A C -0.1437(3) 0.2737(3) 0.1072(3) 0.0313(9) Uani 1 1 d . . . . .
H5A H -0.226032 0.255831 0.093528 0.038 Uiso 1 1 calc R . . . .
C6A C 0.0349(3) 0.1168(3) 0.1447(3) 0.0280(9) Uani 1 1 d . . . . .
H6AA H -0.002238 0.078871 0.187685 0.042 Uiso 1 1 calc GR . . . .
H6AB H 0.124135 0.148652 0.175480 0.042 Uiso 1 1 calc GR . . . .
H6AC H 0.000900 0.061545 0.077500 0.042 Uiso 1 1 calc GR . . . .
C7A C 0.5509(3) 0.5305(3) 0.2298(3) 0.0208(8) Uani 1 1 d . . . . .
C8A C 0.5559(3) 0.6388(3) 0.2318(3) 0.0213(8) Uani 1 1 d . . . . .
H8A H 0.608677 0.702320 0.291732 0.026 Uiso 1 1 calc R . . . .
C9A C 0.4824(3) 0.6511(3) 0.1448(3) 0.0220(8) Uani 1 1 d . . . . .
H9A H 0.486972 0.722288 0.148239 0.026 Uiso 1 1 calc R . . . .
C10A C 0.4013(3) 0.5556(3) 0.0517(3) 0.0213(8) Uani 1 1 d . . . . .
C11A C 0.3957(3) 0.4491(3) 0.0495(3) 0.0215(8) Uani 1 1 d . . . . .
H11A H 0.343144 0.385828 -0.010718 0.026 Uiso 1 1 calc R . . . .
C12A C 0.4693(3) 0.4362(3) 0.1380(3) 0.0216(8) Uani 1 1 d . . . . .
H12A H 0.463104 0.364373 0.134912 0.026 Uiso 1 1 calc R . . . .
C13A C 0.6304(3) 0.5209(3) 0.3258(3) 0.0263(8) Uani 1 1 d . . . . .
H13A H 0.633583 0.570236 0.385892 0.032 Uiso 1 1 calc R . . . .
C14A C 0.7647(4) 0.5690(4) 0.3321(3) 0.0383(10) Uani 1 1 d . . . . .
H14A H 0.765018 0.521050 0.275161 0.057 Uiso 1 1 calc GR . . . .
H14B H 0.816782 0.569459 0.396046 0.057 Uiso 1 1 calc GR . . . .
H14C H 0.796474 0.646690 0.329248 0.057 Uiso 1 1 calc GR . . . .
C15A C 0.5775(4) 0.3980(4) 0.3323(3) 0.0415(11) Uani 1 1 d . . . . .
H15A H 0.580137 0.348875 0.277725 0.062 Uiso 1 1 calc GR . . . .
H15B H 0.492209 0.368477 0.325361 0.062 Uiso 1 1 calc GR . . . .
H15C H 0.626898 0.399340 0.397962 0.062 Uiso 1 1 calc GR . . . .
C16A C 0.3209(3) 0.5695(4) -0.0393(3) 0.0287(9) Uani 1 1 d . . . . .
H16A H 0.253472 0.494513 -0.085754 0.043 Uiso 1 1 calc GR . . . .
H16B H 0.370836 0.608459 -0.074630 0.043 Uiso 1 1 calc GR . . . .
H16C H 0.287038 0.614512 -0.015588 0.043 Uiso 1 1 calc GR . . . .
C17A C -0.2132(4) 0.0727(3) 0.0966(3) 0.0364(10) Uani 1 1 d . . . . .
H17A H -0.215558 0.017920 0.043134 0.055 Uiso 1 1 calc GR . . . .
H17B H -0.292385 0.070292 0.075742 0.055 Uiso 1 1 calc GR . . . .
H17C H -0.196973 0.053366 0.159260 0.055 Uiso 1 1 calc GR . . . .
C1B C 0.0368(4) 0.3785(3) 0.3847(3) 0.0277(8) Uani 1 1 d . . . . .
C2B C 0.1414(3) 0.4678(3) 0.3753(3) 0.0231(8) Uani 1 1 d . . . . .
C3B C 0.2436(3) 0.4505(3) 0.3809(3) 0.0246(8) Uani 1 1 d . . . . .
C4B C 0.2424(4) 0.3522(3) 0.3974(3) 0.0289(9) Uani 1 1 d . . . . .
H4B H 0.311264 0.342707 0.403422 0.035 Uiso 1 1 calc R . . . .
C5B C 0.1389(4) 0.2681(3) 0.4048(3) 0.0298(9) Uani 1 1 d . . . . .
H5B H 0.137024 0.200799 0.414215 0.036 Uiso 1 1 calc R . . . .
C6B C -0.0761(4) 0.3886(4) 0.3782(3) 0.0336(9) Uani 1 1 d . . . . .
H6BA H -0.149077 0.324463 0.322368 0.050 Uiso 1 1 calc GR . . . .
H6BB H -0.064834 0.459946 0.366119 0.050 Uiso 1 1 calc GR . . . .
H6BC H -0.086823 0.388057 0.442032 0.050 Uiso 1 1 calc GR . . . .
C7B C 0.2438(4) 0.8216(3) 0.2817(3) 0.0254(8) Uani 1 1 d . . . . .
C8B C 0.2196(4) 0.8158(3) 0.3711(3) 0.0262(8) Uani 1 1 d . . . . .
H8B H 0.142574 0.804515 0.369915 0.031 Uiso 1 1 calc R . . . .
C9B C 0.3103(4) 0.8267(3) 0.4636(3) 0.0251(8) Uani 1 1 d . . . . .
H9B H 0.290942 0.821692 0.521286 0.030 Uiso 1 1 calc R . . . .
C10B C 0.4284(3) 0.8450(3) 0.4696(3) 0.0239(8) Uani 1 1 d . . . . .
C11B C 0.4530(3) 0.8490(3) 0.3785(3) 0.0237(8) Uani 1 1 d . . . . .
H11B H 0.529374 0.858494 0.379405 0.028 Uiso 1 1 calc R . . . .
C12B C 0.3634(3) 0.8386(3) 0.2871(3) 0.0239(8) Uani 1 1 d . . . . .
H12B H 0.382302 0.842983 0.229142 0.029 Uiso 1 1 calc R . . . .
C13B C 0.1507(4) 0.8107(4) 0.1816(3) 0.0348(10) Uani 1 1 d . . . . .
H13B H 0.166549 0.777009 0.125033 0.042 Uiso 1 1 calc R . . . .
C14B C 0.0141(4) 0.7315(4) 0.1621(4) 0.0487(12) Uani 1 1 d . . . . .
H14D H -0.007155 0.766363 0.211927 0.073 Uiso 1 1 calc GR . . . .
H14E H 0.002313 0.657950 0.168266 0.073 Uiso 1 1 calc GR . . . .
H14F H -0.038935 0.720388 0.093663 0.073 Uiso 1 1 calc GR . . . .
C15B C 0.1772(5) 0.9327(4) 0.1794(4) 0.0574(14) Uani 1 1 d . . . . .
H15D H 0.119195 0.926589 0.115744 0.086 Uiso 1 1 calc GR . . . .
H15E H 0.261450 0.977402 0.184537 0.086 Uiso 1 1 calc GR . . . .
H15F H 0.167637 0.970160 0.236624 0.086 Uiso 1 1 calc GR . . . .
C16B C 0.5245(4) 0.8544(3) 0.5654(3) 0.0323(9) Uani 1 1 d . . . . .
H16D H 0.487062 0.833000 0.613612 0.048 Uiso 1 1 calc GR . . . .
H16E H 0.593221 0.932858 0.596229 0.048 Uiso 1 1 calc GR . . . .
H16F H 0.554777 0.803449 0.547725 0.048 Uiso 1 1 calc GR . . . .
C17B C -0.0652(4) 0.1909(4) 0.4127(4) 0.0433(11) Uani 1 1 d . . . . .
H17D H -0.063715 0.218566 0.479518 0.065 Uiso 1 1 calc GR . . . .
H17E H -0.057051 0.123002 0.407678 0.065 Uiso 1 1 calc GR . . . .
H17F H -0.143279 0.171812 0.359953 0.065 Uiso 1 1 calc GR . . . .
Cl1A Cl 0.21413(10) 0.08584(10) 0.52153(9) 0.0452(3) Uani 1 1 d . . . . .
Cl1B Cl 0.38860(10) 0.88118(10) 0.75855(9) 0.0433(3) Uani 1 1 d . . . . .
O1S O 0.3224(3) 0.0777(3) 0.7422(2) 0.0432(7) Uani 1 1 d D . . . .
H1SA H 0.334(4) 0.008(3) 0.731(3) 0.053(14) Uiso 1 1 d D . . . .
H1SB H 0.290(5) 0.075(5) 0.672(3) 0.08(2) Uiso 1 1 d D . . . .
O2S O 0.9542(4) 0.8759(4) 0.3654(3) 0.0636(10) Uani 1 1 d D . . . .
H2SA H 1.024(3) 0.947(3) 0.375(3) 0.042(14) Uiso 1 1 d D . . . .
H2SB H 0.918(5) 0.892(5) 0.408(4) 0.11(2) Uiso 1 1 d D . . . .
O3S O 0.2281(3) 0.1644(3) 0.0293(3) 0.0424(7) Uani 1 1 d D . . . .
H3SA H 0.214(4) 0.169(4) -0.040(2) 0.048(14) Uiso 1 1 d D . . . .
H3SB H 0.219(6) 0.223(5) 0.063(4) 0.11(3) Uiso 1 1 d D . . . .
O4S O 0.4655(3) 0.1809(3) 0.0673(3) 0.0469(8) Uani 1 1 d D . . . .
H4SA H 0.503(3) 0.152(3) 0.117(3) 0.035(12) Uiso 1 1 d D . . . .
H4SB H 0.380(3) 0.140(7) 0.056(6) 0.17(4) Uiso 1 1 d D . . . .
O5S O 0.2100(3) 0.1756(3) 0.8369(3) 0.0541(9) Uani 1 1 d D . . . .
H5SA H 0.253(5) 0.136(5) 0.820(4) 0.09(2) Uiso 1 1 d D . . . .
H5SB H 0.133(4) 0.137(5) 0.776(4) 0.11(2) Uiso 1 1 d D . . . .
O6S O 0.4284(3) 0.8737(3) 0.0698(3) 0.0467(8) Uani 1 1 d . . . . .
H6SA H 0.472303 0.941386 0.113948 0.070 Uiso 1 1 d G . . . .
H6SB H 0.464762 0.867039 0.030004 0.070 Uiso 1 1 d G . . . .
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'
Cl Cl 0.1484 0.1585 '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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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
Se1A Ru1A Se1B 82.287(13) . .
O1A Ru1A Se1A 84.52(6) . .
O1A Ru1A Se1B 90.07(6) . .
O1A Ru1A C7A 116.09(11) . .
O1A Ru1A C8A 153.69(11) . .
O1A Ru1A C9A 157.99(12) . .
O1A Ru1A C10A 120.24(11) . .
O1A Ru1A C11A 93.96(11) . .
O1A Ru1A C12A 91.94(11) . .
C7A Ru1A Se1A 159.07(9) . .
C7A Ru1A Se1B 93.47(9) . .
C8A Ru1A Se1A 121.26(9) . .
C8A Ru1A Se1B 88.54(9) . .
C8A Ru1A C7A 37.88(13) . .
C8A Ru1A C10A 68.00(13) . .
C8A Ru1A C11A 79.45(13) . .
C8A Ru1A C12A 67.20(13) . .
C9A Ru1A Se1A 94.09(9) . .
C9A Ru1A Se1B 111.56(10) . .
C9A Ru1A C7A 68.31(13) . .
C9A Ru1A C8A 37.62(13) . .
C9A Ru1A C10A 37.77(13) . .
C9A Ru1A C11A 67.08(13) . .
C9A Ru1A C12A 79.86(13) . .
C10A Ru1A Se1A 92.19(9) . .
C10A Ru1A Se1B 148.65(9) . .
C10A Ru1A C7A 80.77(13) . .
C11A Ru1A Se1A 117.05(9) . .
C11A Ru1A Se1B 160.52(9) . .
C11A Ru1A C7A 67.66(13) . .
C11A Ru1A C10A 36.93(13) . .
C12A Ru1A Se1A 154.43(9) . .
C12A Ru1A Se1B 123.11(9) . .
C12A Ru1A C7A 37.04(13) . .
C12A Ru1A C10A 67.77(13) . .
C12A Ru1A C11A 37.79(13) . .
Se1B Ru1B Se1A 82.101(13) . .
O1B Ru1B Se1A 89.99(7) . .
O1B Ru1B Se1B 84.15(7) . .
O1B Ru1B C7B 117.89(12) . .
O1B Ru1B C8B 92.97(12) . .
O1B Ru1B C9B 93.07(11) . .
O1B Ru1B C10B 118.23(12) . .
O1B Ru1B C11B 155.81(12) . .
O1B Ru1B C12B 155.77(12) . .
C7B Ru1B Se1A 91.55(10) . .
C7B Ru1B Se1B 157.19(10) . .
C7B Ru1B C10B 80.81(14) . .
C8B Ru1B Se1A 120.30(10) . .
C8B Ru1B Se1B 157.48(10) . .
C8B Ru1B C7B 36.94(14) . .
C8B Ru1B C9B 37.58(14) . .
C8B Ru1B C10B 67.46(13) . .
C9B Ru1B Se1A 157.78(10) . .
C9B Ru1B Se1B 120.10(10) . .
C9B Ru1B C7B 67.62(14) . .
C9B Ru1B C10B 36.87(13) . .
C10B Ru1B Se1A 151.15(9) . .
C10B Ru1B Se1B 94.22(9) . .
C11B Ru1B Se1A 113.69(10) . .
C11B Ru1B Se1B 93.92(9) . .
C11B Ru1B C7B 68.54(13) . .
C11B Ru1B C8B 79.63(14) . .
C11B Ru1B C9B 67.02(13) . .
C11B Ru1B C10B 37.72(13) . .
C12B Ru1B Se1A 88.84(10) . .
C12B Ru1B Se1B 119.60(9) . .
C12B Ru1B C7B 37.99(13) . .
C12B Ru1B C8B 67.03(13) . .
C12B Ru1B C9B 79.43(13) . .
C12B Ru1B C10B 68.04(14) . .
C12B Ru1B C11B 37.77(14) . .
Ru1A Se1A Ru1B 94.400(14) . .
C3A Se1A Ru1A 93.65(11) . .
C3A Se1A Ru1B 107.12(11) . .
Ru1B Se1B Ru1A 93.949(14) . .
C3B Se1B Ru1A 106.42(11) . .
C3B Se1B Ru1B 93.40(11) . .
C2A O1A Ru1A 120.6(2) . .
C2B O1B Ru1B 120.8(2) . .
C1A N1A C17A 119.6(3) . .
C5A N1A C1A 123.0(3) . .
C5A N1A C17A 117.4(3) . .
C1B N1B C17B 119.6(3) . .
C5B N1B C1B 122.8(3) . .
C5B N1B C17B 117.5(3) . .
N1A C1A C2A 118.7(3) . .
N1A C1A C6A 119.4(3) . .
C2A C1A C6A 121.8(3) . .
O1A C2A C1A 118.8(3) . .
O1A C2A C3A 123.3(3) . .
C1A C2A C3A 118.0(3) . .
C2A C3A Se1A 117.8(3) . .
C4A C3A Se1A 122.4(3) . .
C4A C3A C2A 119.8(3) . .
C5A C4A C3A 120.5(3) . .
N1A C5A C4A 119.9(3) . .
C8A C7A Ru1A 69.52(19) . .
C8A C7A C13A 119.4(3) . .
C12A C7A Ru1A 70.81(19) . .
C12A C7A C8A 117.7(3) . .
C12A C7A C13A 122.8(3) . .
C13A C7A Ru1A 129.9(2) . .
C7A C8A Ru1A 72.60(19) . .
C9A C8A Ru1A 71.17(19) . .
C9A C8A C7A 121.3(3) . .
C8A C9A Ru1A 71.2(2) . .
C8A C9A C10A 120.7(3) . .
C10A C9A Ru1A 72.5(2) . .
C9A C10A Ru1A 69.72(19) . .
C9A C10A C16A 119.9(3) . .
C11A C10A Ru1A 71.2(2) . .
C11A C10A C9A 118.2(3) . .
C11A C10A C16A 121.8(3) . .
C16A C10A Ru1A 128.6(2) . .
C10A C11A Ru1A 71.9(2) . .
C10A C11A C12A 121.2(3) . .
C12A C11A Ru1A 70.98(19) . .
C7A C12A Ru1A 72.14(19) . .
C7A C12A C11A 120.9(3) . .
C11A C12A Ru1A 71.23(19) . .
C7A C13A C14A 109.5(3) . .
C7A C13A C15A 113.7(3) . .
C15A C13A C14A 111.0(3) . .
N1B C1B C2B 118.9(3) . .
N1B C1B C6B 119.9(3) . .
C2B C1B C6B 121.2(3) . .
O1B C2B C1B 118.2(3) . .
O1B C2B C3B 124.3(3) . .
C3B C2B C1B 117.5(3) . .
C2B C3B Se1B 117.1(3) . .
C4B C3B Se1B 122.3(3) . .
C4B C3B C2B 120.7(3) . .
C5B C4B C3B 119.6(4) . .
N1B C5B C4B 120.5(3) . .
C8B C7B Ru1B 71.0(2) . .
C8B C7B C12B 117.3(3) . .
C8B C7B C13B 123.5(3) . .
C12B C7B Ru1B 69.3(2) . .
C12B C7B C13B 119.2(3) . .
C13B C7B Ru1B 130.5(3) . .
C7B C8B Ru1B 72.0(2) . .
C7B C8B C9B 121.5(3) . .
C9B C8B Ru1B 71.3(2) . .
C8B C9B Ru1B 71.1(2) . .
C10B C9B Ru1B 72.5(2) . .
C10B C9B C8B 121.4(3) . .
C9B C10B Ru1B 70.6(2) . .
C9B C10B C11B 117.5(3) . .
C9B C10B C16B 122.4(3) . .
C11B C10B Ru1B 68.9(2) . .
C11B C10B C16B 120.0(3) . .
C16B C10B Ru1B 129.3(3) . .
C10B C11B Ru1B 73.4(2) . .
C12B C11B Ru1B 71.1(2) . .
C12B C11B C10B 121.0(3) . .
C7B C12B Ru1B 72.7(2) . .
C11B C12B Ru1B 71.1(2) . .
C11B C12B C7B 121.3(3) . .
C7B C13B C14B 113.9(4) . .
C7B C13B C15B 108.9(3) . .
C14B C13B C15B 111.8(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1A Se1A 2.4855(4) .
Ru1A Se1B 2.5325(4) .
Ru1A O1A 2.098(2) .
Ru1A C7A 2.222(3) .
Ru1A C8A 2.181(3) .
Ru1A C9A 2.180(3) .
Ru1A C10A 2.217(3) .
Ru1A C11A 2.208(3) .
Ru1A C12A 2.205(3) .
Ru1B Se1A 2.5280(5) .
Ru1B Se1B 2.4995(4) .
Ru1B O1B 2.085(2) .
Ru1B C7B 2.220(3) .
Ru1B C8B 2.207(3) .
Ru1B C9B 2.210(3) .
Ru1B C10B 2.235(4) .
Ru1B C11B 2.176(3) .
Ru1B C12B 2.176(3) .
Se1A C3A 1.914(3) .
Se1B C3B 1.916(4) .
O1A C2A 1.325(4) .
O1B C2B 1.313(4) .
N1A C1A 1.357(5) .
N1A C5A 1.347(5) .
N1A C17A 1.490(5) .
N1B C1B 1.358(5) .
N1B C5B 1.342(5) .
N1B C17B 1.485(5) .
C1A C2A 1.417(5) .
C1A C6A 1.492(5) .
C2A C3A 1.421(5) .
C3A C4A 1.373(5) .
C4A C5A 1.367(5) .
C7A C8A 1.430(5) .
C7A C12A 1.406(5) .
C7A C13A 1.515(5) .
C8A C9A 1.406(5) .
C9A C10A 1.424(5) .
C10A C11A 1.401(5) .
C10A C16A 1.501(5) .
C11A C12A 1.429(5) .
C13A C14A 1.529(5) .
C13A C15A 1.528(6) .
C1B C2B 1.428(5) .
C1B C6B 1.495(5) .
C2B C3B 1.413(5) .
C3B C4B 1.377(5) .
C4B C5B 1.376(5) .
C7B C8B 1.403(5) .
C7B C12B 1.432(5) .
C7B C13B 1.513(5) .
C8B C9B 1.423(5) .
C9B C10B 1.406(5) .
C10B C11B 1.427(5) .
C10B C16B 1.499(5) .
C11B C12B 1.409(5) .
C13B C14B 1.523(6) .
C13B C15B 1.537(6) .
