#------------------------------------------------------------------------------
#$Date: 2021-07-05 20:12:21 +0300 (Mon, 05 Jul 2021) $
#$Revision: 267129 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/29/7242903.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_7242903
loop_
_publ_author_name
'Mukhacheva, Anna A.'
'Komarov, Vladislav Yu.'
'Kokovkin, Vasily V.'
'Novikov, Alexander S.'
'Abramov, Pavel A.'
'Sokolov, Maxim N.'
_publ_section_title
;
 Unusual π--π interactions directed by the
 [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion
;
_journal_issue                   23
_journal_name_full               CrystEngComm
_journal_page_first              4125
_journal_page_last               4135
_journal_paper_doi               10.1039/D1CE00319D
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C12 H12 Na4.2 O54.4 Ru2 W8'
_chemical_formula_weight         2796.11
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2021-02-19 deposited with the CCDC.	2021-05-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 127.6560(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.5718(4)
_cell_length_b                   17.0393(3)
_cell_length_c                   17.3183(3)
_cell_measurement_reflns_used    9964
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      33.1001
_cell_measurement_theta_min      2.3603
_cell_volume                     5974.14(19)
_computing_cell_refinement       'SAINT (Bruker-AXS, 2004)'
_computing_data_collection       'APEX2 (Bruker-AXS, 2004)'
_computing_data_reduction        'SAINT (Bruker-AXS, 2004)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 25
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0623
_diffrn_reflns_av_unetI/netI     0.0616
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            43675
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.500
_diffrn_reflns_theta_max         33.142
_diffrn_reflns_theta_min         2.012
_diffrn_source                   'sealed X-ray tube'
_exptl_absorpt_coefficient_mu    15.968
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_correction_T_min  0.5367
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS, 2004)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.109
_exptl_crystal_description       block
_exptl_crystal_F_000             4982
_exptl_crystal_size_max          0.114
_exptl_crystal_size_mid          0.083
_exptl_crystal_size_min          0.082
_refine_diff_density_max         4.376
_refine_diff_density_min         -2.777
_refine_diff_density_rms         0.370
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     366
_refine_ls_number_reflns         11281
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0578
_refine_ls_R_factor_gt           0.0396
_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)+(0.0335P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0820
_refine_ls_wR_factor_ref         0.0890
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8655
_reflns_number_total             11281
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            d1ce00319d3.cif
_cod_data_source_block           5
_cod_depositor_comments
'Adding full bibliography for 7242899--7242903.cif.'
_cod_original_cell_volume        5974.13(19)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C12 H12 Na4.20 O54.40 Ru2 W8'
_cod_database_code               7242903
_shelx_shelxl_version_number     2017/1
_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_min   0.263
_shelx_estimated_absorpt_t_max   0.354
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_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
Ru1 Ru 0.37991(3) 0.55800(3) 0.77507(4) 0.01334(10) Uani 1 1 d . . . . .
O1 O 0.3883(2) 0.4741(3) 0.5984(4) 0.0190(10) Uani 1 1 d . . . . .
O2 O 0.2569(2) 0.4896(3) 0.4512(3) 0.0207(10) Uani 1 1 d . . . . .
O3 O 0.2586(2) 0.6348(2) 0.5366(3) 0.0121(8) Uani 1 1 d . . . . .
O4 O 0.2995(2) 0.5123(3) 0.6389(3) 0.0138(9) Uani 1 1 d . . . . .
O5 O 0.3828(2) 0.6183(2) 0.6724(3) 0.0130(9) Uani 1 1 d . . . . .
O6 O 0.3076(2) 0.6443(3) 0.7166(3) 0.0130(9) Uani 1 1 d . . . . .
O7 O 0.3996(2) 0.7641(3) 0.7660(3) 0.0164(9) Uani 1 1 d . . . . .
O8 O 0.2644(2) 0.7803(3) 0.6167(3) 0.0140(9) Uani 1 1 d . . . . .
O9 O 0.3480(2) 0.7501(3) 0.5699(3) 0.0133(9) Uani 1 1 d . . . . .
O10 O 0.4238(2) 0.7251(3) 0.5055(4) 0.0253(12) Uani 1 1 d . . . . .
O11 O 0.3379(2) 0.6136(3) 0.4828(3) 0.0146(9) Uani 1 1 d . . . . .
O12 O 0.3117(3) 0.6930(3) 0.3247(4) 0.0243(11) Uani 1 1 d . . . . .
O13 O 0.1755(2) 0.6694(3) 0.5830(3) 0.0153(9) Uani 1 1 d . . . . .
O14 O 0.2196(2) 0.5352(3) 0.7005(4) 0.0218(11) Uani 1 1 d . . . . .
O15 O 0.1648(2) 0.5233(3) 0.5062(4) 0.0217(10) Uani 1 1 d . . . . .
O16 O 0.3256(3) 0.9104(3) 0.7569(4) 0.0346(14) Uani 1 1 d . . . . .
O17 O 0.4979(6) 0.9043(6) 0.9338(8) 0.106(4) Uani 1 1 d . . . . .
O18 O 0.3110(3) 0.7404(4) 0.8453(4) 0.0340(13) Uani 1 1 d . . . . .
O19 O 0.2163(3) 0.8516(3) 0.8523(4) 0.0339(14) Uani 1 1 d . . . . .
O20 O 0.4927(4) 0.7658(5) 1.0410(6) 0.067(2) Uani 1 1 d . . . . .
O21 O 0.3872(3) 0.8752(4) 1.0141(5) 0.0464(17) Uani 1 1 d . . . . .
O22 O 0.2772(4) 0.8275(4) 1.0750(5) 0.0490(18) Uani 1 1 d . . . . .
O23 O 0.3818(4) 0.6844(4) 1.1167(6) 0.075(3) Uani 1 1 d . . . . .
O24 O 0.500000 0.6872(5) 0.750000 0.0326(18) Uiso 1 2 d S . P . .
O25 O 0.500000 0.8859(8) 0.750000 0.077(4) Uiso 1 2 d S . P . .
O26 O 0.3945(4) 0.9787(5) 0.6913(6) 0.062(2) Uiso 1 1 d . . . . .
O27 O 0.3569(5) 0.8435(6) 1.2755(8) 0.054(3) Uiso 0.7 1 d . . P . .
O28 O 0.4954(8) 0.7543(10) 1.2887(12) 0.067(4) Uiso 0.5 1 d . . P . .
O29 O 0.572(3) 1.054(3) 0.618(4) 0.027(12) Uiso 0.1 1 d . . P . .
O30 O 0.4834(15) 1.1162(17) 0.792(2) 0.036(7) Uiso 0.2 1 d . . P . .
O31 O 0.5262(11) 1.0656(13) 0.6489(16) 0.074(6) Uiso 0.4 1 d . . P . .
O32 O 0.4708(11) 0.8336(14) 0.6691(17) 0.045(5) Uiso 0.3 1 d . . P . .
C1 C 0.3839(4) 0.4724(5) 0.8709(6) 0.0317(18) Uani 1 1 d . U . . .
H1 H 0.350174 0.440441 0.862061 0.038 Uiso 1 1 calc R U . . .
C2 C 0.4215(4) 0.4456(5) 0.8431(5) 0.0295(17) Uani 1 1 d . U . . .
H2 H 0.413105 0.395268 0.813942 0.035 Uiso 1 1 calc R U . . .
C3 C 0.4719(4) 0.4930(5) 0.8580(6) 0.0345(18) Uani 1 1 d . U . . .
H3 H 0.498630 0.474137 0.841050 0.041 Uiso 1 1 calc R U . . .
C4 C 0.4827(4) 0.5683(5) 0.8982(6) 0.038(2) Uani 1 1 d . U . . .
H4 H 0.515850 0.601143 0.906481 0.046 Uiso 1 1 calc R U . . .
C5 C 0.4457(5) 0.5943(5) 0.9251(6) 0.043(2) Uani 1 1 d . U . . .
H5 H 0.453514 0.645132 0.952861 0.052 Uiso 1 1 calc R U . . .
C6 C 0.3966(4) 0.5476(5) 0.9125(6) 0.0334(17) Uani 1 1 d . U . . .
H6 H 0.371352 0.566534 0.932081 0.040 Uiso 1 1 calc R U . . .
W1 W 0.32350(2) 0.53994(2) 0.54977(2) 0.01233(6) Uani 1 1 d . . . . .
W2 W 0.33598(2) 0.71861(2) 0.65860(2) 0.01080(5) Uani 1 1 d . . . . .
W3 W 0.33843(2) 0.71801(2) 0.44235(2) 0.01347(6) Uani 1 1 d . . . . .
W4 W 0.22259(2) 0.57654(2) 0.61132(2) 0.01335(6) Uani 1 1 d . . . . .
Na1 Na 0.40114(19) 0.8319(2) 0.8957(3) 0.0185(8) Uani 0.7 1 d . . P . .
Na2 Na 0.30861(19) 0.7720(2) 0.9790(3) 0.0160(8) Uani 0.7 1 d . . P . .
Na3 Na 0.4863(2) 0.7921(3) 0.6470(4) 0.0330(11) Uani 0.7 1 d . . P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ru Ru -1.2594 0.8363 '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'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 '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'
Na Na 0.0362 0.0249 '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
O6 Ru1 O5 73.85(16) . . ?
O6 Ru1 O4 75.40(17) . . ?
O5 Ru1 O4 75.47(17) . . ?
O6 Ru1 C5 101.0(3) . . ?
O5 Ru1 C5 118.5(3) . . ?
O4 Ru1 C5 164.4(3) . . ?
O6 Ru1 C4 127.5(3) . . ?
O5 Ru1 C4 98.3(3) . . ?
O4 Ru1 C4 154.3(3) . . ?
C5 Ru1 C4 36.9(4) . . ?
O6 Ru1 C6 96.5(3) . . ?
O5 Ru1 C6 153.2(3) . . ?
O4 Ru1 C6 127.1(3) . . ?
C5 Ru1 C6 37.6(4) . . ?
C4 Ru1 C6 67.3(3) . . ?
O6 Ru1 C2 152.8(3) . . ?
O5 Ru1 C2 129.6(3) . . ?
O4 Ru1 C2 95.8(2) . . ?
C5 Ru1 C2 80.5(3) . . ?
C4 Ru1 C2 68.7(3) . . ?
C6 Ru1 C2 68.0(3) . . ?
O6 Ru1 C1 117.5(3) . . ?
O5 Ru1 C1 166.5(3) . . ?
O4 Ru1 C1 99.5(3) . . ?
C5 Ru1 C1 68.4(3) . . ?
C4 Ru1 C1 80.7(3) . . ?
C6 Ru1 C1 38.1(3) . . ?
C2 Ru1 C1 37.5(3) . . ?
O6 Ru1 C3 165.2(3) . . ?
O5 Ru1 C3 103.1(3) . . ?
O4 Ru1 C3 118.3(3) . . ?
C5 Ru1 C3 67.4(4) . . ?
C4 Ru1 C3 37.9(3) . . ?
C6 Ru1 C3 79.8(3) . . ?
C2 Ru1 C3 37.9(3) . . ?
C1 Ru1 C3 67.9(3) . . ?
O6 Ru1 W2 38.30(11) . . ?
O5 Ru1 W2 38.63(11) . . ?
O4 Ru1 W2 83.31(12) . . ?
C5 Ru1 W2 103.4(2) . . ?
C4 Ru1 W2 107.6(2) . . ?
C6 Ru1 W2 121.9(2) . . ?
C2 Ru1 W2 168.1(2) . . ?
C1 Ru1 W2 154.4(2) . . ?
C3 Ru1 W2 133.0(2) . . ?
W1 O3 W4 99.45(16) . . ?
W1 O3 W2 100.75(17) . . ?
W4 O3 W2 99.89(16) . . ?
W1 O4 W4 113.1(2) . . ?
W1 O4 Ru1 102.80(19) . . ?
W4 O4 Ru1 101.86(19) . . ?
W2 O5 Ru1 100.94(18) . . ?
W2 O5 W1 113.5(2) . . ?
Ru1 O5 W1 99.42(17) . . ?
W2 O6 Ru1 101.78(18) . . ?
W2 O6 W4 113.9(2) . . ?
Ru1 O6 W4 99.91(18) . . ?
W2 O7 Na3 139.0(3) . 2_656 ?
W2 O7 Na1 131.2(2) . . ?
Na3 O7 Na1 89.9(2) 2_656 . ?
W2 O8 W3 145.8(2) . 7_566 ?
W2 O9 W3 145.5(2) . . ?
W2 O9 Na3 117.0(2) . . ?
W3 O9 Na3 83.15(16) . . ?
W3 O10 Na3 120.0(3) . . ?
W1 O11 W3 152.7(2) . . ?
W4 O13 W3 153.3(2) . 7_566 ?
Na1 O17 Na3 87.0(3) . 2_656 ?
Na2 O18 Na1 94.9(2) . . ?
Na1 O21 Na2 95.4(3) . . ?
Na2 O22 Na2 93.6(2) . 7_567 ?
Na3 O24 Na3 83.4(4) 2_656 . ?
O32 O25 O32 103(2) . 2_656 ?
O32 O25 Na3 17.6(9) . . ?
O32 O25 Na3 94.0(11) 2_656 . ?
O32 O25 Na3 94.0(11) . 2_656 ?
O32 O25 Na3 17.6(9) 2_656 2_656 ?
Na3 O25 Na3 89.9(5) . 2_656 ?
O30 O31 O29 142(3) 2_656 . ?
Na3 O32 O25 137(2) . . ?
Na3 O32 Na3 107.0(16) . 2_656 ?
O25 O32 Na3 54.9(9) . 2_656 ?
C2 C1 C6 119.0(8) . . ?
C2 C1 Ru1 71.0(4) . . ?
C6 C1 Ru1 70.5(4) . . ?
C2 C1 H1 120.5 . . ?
C6 C1 H1 120.5 . . ?
Ru1 C1 H1 130.5 . . ?
C1 C2 C3 119.8(8) . . ?
C1 C2 Ru1 71.5(4) . . ?
C3 C2 Ru1 71.4(5) . . ?
C1 C2 H2 120.1 . . ?
C3 C2 H2 120.1 . . ?
Ru1 C2 H2 129.4 . . ?
C4 C3 C2 119.9(8) . . ?
C4 C3 Ru1 70.5(5) . . ?
C2 C3 Ru1 70.7(4) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
Ru1 C3 H3 131.5 . . ?
C5 C4 C3 120.0(8) . . ?
C5 C4 Ru1 71.4(5) . . ?
C3 C4 Ru1 71.5(5) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
Ru1 C4 H4 129.4 . . ?
C4 C5 C6 120.8(9) . . ?
C4 C5 Ru1 71.7(5) . . ?
C6 C5 Ru1 71.3(5) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
Ru1 C5 H5 129.9 . . ?
C5 C6 C1 120.5(8) . . ?
C5 C6 Ru1 71.1(5) . . ?
C1 C6 Ru1 71.4(4) . . ?
C5 C6 H6 119.8 . . ?
C1 C6 H6 119.8 . . ?
Ru1 C6 H6 130.4 . . ?
O2 W1 O1 103.3(2) . . ?
O2 W1 O11 99.6(2) . . ?
O1 W1 O11 104.0(2) . . ?
O2 W1 O4 93.6(2) . . ?
O1 W1 O4 97.1(2) . . ?
O11 W1 O4 151.73(18) . . ?
O2 W1 O5 162.5(2) . . ?
O1 W1 O5 91.9(2) . . ?
O11 W1 O5 84.80(18) . . ?
O4 W1 O5 75.72(16) . . ?
O2 W1 O3 92.1(2) . . ?
O1 W1 O3 161.9(2) . . ?
O11 W1 O3 82.40(16) . . ?
O4 W1 O3 72.18(16) . . ?
O5 W1 O3 71.57(16) . . ?
O7 W2 O9 104.0(2) . . ?
O7 W2 O8 102.9(2) . . ?
O9 W2 O8 98.03(19) . . ?
O7 W2 O6 97.7(2) . . ?
O9 W2 O6 155.03(19) . . ?
O8 W2 O6 88.91(18) . . ?
O7 W2 O5 98.7(2) . . ?
O9 W2 O5 87.43(18) . . ?
O8 W2 O5 155.60(19) . . ?
O6 W2 O5 77.08(17) . . ?
O7 W2 O3 167.80(18) . . ?
O9 W2 O3 84.39(17) . . ?
O8 W2 O3 84.37(17) . . ?
O6 W2 O3 72.38(16) . . ?
O5 W2 O3 72.46(17) . . ?
O7 W2 Ru1 88.18(15) . . ?
O9 W2 Ru1 127.86(14) . . ?
O8 W2 Ru1 128.82(13) . . ?
O6 W2 Ru1 39.92(12) . . ?
O5 W2 Ru1 40.43(12) . . ?
O3 W2 Ru1 79.64(10) . . ?
O10 W3 O12 101.2(3) . . ?
O10 W3 O11 96.9(2) . . ?
O12 W3 O11 96.6(2) . . ?
O10 W3 O13 93.4(2) . 7_566 ?
O12 W3 O13 95.1(2) . 7_566 ?
O11 W3 O13 162.61(17) . 7_566 ?
O10 W3 O9 91.4(2) . . ?
O12 W3 O9 167.3(2) . . ?
O11 W3 O9 83.16(17) . . ?
O13 W3 O9 82.63(17) 7_566 . ?
O10 W3 O8 170.9(2) . 7_566 ?
O12 W3 O8 87.5(2) . 7_566 ?
O11 W3 O8 84.67(17) . 7_566 ?
O13 W3 O8 83.01(17) 7_566 7_566 ?
O9 W3 O8 79.86(16) . 7_566 ?
O10 W3 Na3 34.1(2) . . ?
O12 W3 Na3 132.77(19) . . ?
O11 W3 Na3 102.17(16) . . ?
O13 W3 Na3 78.91(16) 7_566 . ?
O9 W3 Na3 59.18(14) . . ?
O8 W3 Na3 136.78(14) 7_566 . ?
O15 W4 O14 104.3(2) . . ?
O15 W4 O13 99.6(2) . . ?
O14 W4 O13 101.8(2) . . ?
O15 W4 O4 92.7(2) . . ?
O14 W4 O4 97.7(2) . . ?
O13 W4 O4 153.48(18) . . ?
O15 W4 O6 161.35(19) . . ?
O14 W4 O6 92.0(2) . . ?
O13 W4 O6 85.56(18) . . ?
O4 W4 O6 75.92(17) . . ?
O15 W4 O3 90.8(2) . . ?
O14 W4 O3 162.4(2) . . ?
O13 W4 O3 84.21(17) . . ?
O4 W4 O3 72.17(16) . . ?
O6 W4 O3 71.84(16) . . ?
O16 Na1 O21 103.8(2) . . ?
O16 Na1 O20 170.3(3) . . ?
O21 Na1 O20 79.0(3) . . ?
O16 Na1 O18 89.5(2) . . ?
O21 Na1 O18 84.3(2) . . ?
O20 Na1 O18 100.1(3) . . ?
O16 Na1 O17 93.0(3) . . ?
O21 Na1 O17 105.5(3) . . ?
O20 Na1 O17 77.3(3) . . ?
O18 Na1 O17 169.0(3) . . ?
O16 Na1 O7 78.1(2) . . ?
O21 Na1 O7 167.9(3) . . ?
O20 Na1 O7 101.1(2) . . ?
O18 Na1 O7 83.8(2) . . ?
O17 Na1 O7 86.2(3) . . ?
O16 Na1 Na3 99.4(2) . 2_656 ?
O21 Na1 Na3 145.3(2) . 2_656 ?
O20 Na1 Na3 74.2(2) . 2_656 ?
O18 Na1 Na3 121.6(2) . 2_656 ?
O17 Na1 Na3 47.4(3) . 2_656 ?
O7 Na1 Na3 43.52(14) . 2_656 ?
O16 Na1 Na2 103.85(19) . . ?
O21 Na1 Na2 42.79(19) . . ?
O20 Na1 Na2 84.6(2) . . ?
O18 Na1 Na2 42.03(15) . . ?
O17 Na1 Na2 146.6(3) . . ?
O7 Na1 Na2 125.15(18) . . ?
Na3 Na1 Na2 150.61(16) 2_656 . ?
O18 Na2 O19 80.7(2) . . ?
O18 Na2 O22 162.4(3) . . ?
O19 Na2 O22 81.7(2) . . ?
O18 Na2 O23 110.4(3) . . ?
O19 Na2 O23 164.9(3) . . ?
O22 Na2 O23 86.9(3) . . ?
O18 Na2 O21 84.3(2) . . ?
O19 Na2 O21 91.2(2) . . ?
O22 Na2 O21 96.5(3) . . ?
O23 Na2 O21 100.0(3) . . ?
O18 Na2 O22 91.3(2) . 7_567 ?
O19 Na2 O22 83.8(2) . 7_567 ?
O22 Na2 O22 86.4(3) . 7_567 ?
O23 Na2 O22 85.6(3) . 7_567 ?
O21 Na2 O22 173.8(3) . 7_567 ?
O18 Na2 Na2 131.7(2) . 7_567 ?
O19 Na2 Na2 80.1(2) . 7_567 ?
O22 Na2 Na2 43.47(18) . 7_567 ?
O23 Na2 Na2 84.8(3) . 7_567 ?
O21 Na2 Na2 139.7(2) . 7_567 ?
O22 Na2 Na2 42.90(17) 7_567 7_567 ?
O18 Na2 Na1 43.05(17) . . ?
O19 Na2 Na1 89.62(18) . . ?
O22 Na2 Na1 137.4(2) . . ?
O23 Na2 Na1 105.5(3) . . ?
O21 Na2 Na1 41.77(17) . . ?
O22 Na2 Na1 134.2(2) 7_567 . ?
Na2 Na2 Na1 169.47(18) 7_567 . ?
O32 Na3 O10 126.4(14) . . ?
O32 Na3 O25 25.7(14) . . ?
O10 Na3 O25 151.9(3) . . ?
O32 Na3 O7 121.6(14) . 2_656 ?
O10 Na3 O7 111.7(3) . 2_656 ?
O25 Na3 O7 95.9(2) . 2_656 ?
O32 Na3 O24 98.9(14) . . ?
O10 Na3 O24 96.6(3) . . ?
O25 Na3 O24 93.4(3) . . ?
O7 Na3 O24 79.25(18) 2_656 . ?
O32 Na3 O17 85.0(14) . 2_656 ?
O10 Na3 O17 91.6(3) . 2_656 ?
O25 Na3 O17 84.4(4) . 2_656 ?
O7 Na3 O17 87.4(3) 2_656 2_656 ?
O24 Na3 O17 166.2(3) . 2_656 ?
O32 Na3 O32 48.9(16) . 2_656 ?
O10 Na3 O32 154.8(6) . 2_656 ?
O25 Na3 O32 31.1(5) . 2_656 ?
O7 Na3 O32 81.4(5) 2_656 2_656 ?
O24 Na3 O32 63.7(5) . 2_656 ?
O17 Na3 O32 111.0(6) 2_656 2_656 ?
O32 Na3 O9 72.7(13) . . ?
O10 Na3 O9 62.31(19) . . ?
O25 Na3 O9 95.3(2) . . ?
O7 Na3 O9 152.9(2) 2_656 . ?
O24 Na3 O9 75.49(16) . . ?
O17 Na3 O9 118.3(3) 2_656 . ?
O32 Na3 O9 96.0(5) 2_656 . ?
O32 Na3 Na3 55.7(14) . 2_656 ?
O10 Na3 Na3 137.8(2) . 2_656 ?
O25 Na3 Na3 45.1(3) . 2_656 ?
O7 Na3 Na3 86.9(2) 2_656 2_656 ?
O24 Na3 Na3 48.29(18) . 2_656 ?
O17 Na3 Na3 128.0(3) 2_656 2_656 ?
O32 Na3 Na3 17.4(5) 2_656 2_656 ?
O9 Na3 Na3 83.7(2) . 2_656 ?
O32 Na3 Na1 121.6(13) . 2_656 ?
O10 Na3 Na1 89.9(2) . 2_656 ?
O25 Na3 Na1 106.5(2) . 2_656 ?
O7 Na3 Na1 46.60(15) 2_656 2_656 ?
O24 Na3 Na1 123.04(19) . 2_656 ?
O17 Na3 Na1 45.6(3) 2_656 2_656 ?
O32 Na3 Na1 113.8(5) 2_656 2_656 ?
O9 Na3 Na1 149.5(2) . 2_656 ?
Na3 Na3 Na1 126.8(2) 2_656 2_656 ?
O32 Na3 W3 102.0(14) . . ?
O10 Na3 W3 25.82(14) . . ?
O25 Na3 W3 127.56(18) . . ?
O7 Na3 W3 136.4(2) 2_656 . ?
O24 Na3 W3 93.48(17) . . ?
O17 Na3 W3 98.7(3) 2_656 . ?
O32 Na3 W3 133.6(5) 2_656 . ?
O9 Na3 W3 37.67(10) . . ?
Na3 Na3 W3 119.9(2) 2_656 . ?
Na1 Na3 W3 112.56(15) 2_656 . ?
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 O6 2.078(4) . ?
Ru1 O5 2.094(4) . ?
Ru1 O4 2.115(4) . ?
Ru1 C5 2.150(8) . ?
Ru1 C4 2.154(8) . ?
Ru1 C6 2.154(8) . ?
Ru1 C2 2.158(7) . ?
Ru1 C1 2.165(7) . ?
Ru1 C3 2.167(8) . ?
Ru1 W2 3.1704(6) . ?
O1 W1 1.734(5) . ?
O2 W1 1.731(5) . ?
O3 W1 2.227(4) . ?
O3 W4 2.227(4) . ?
O3 W2 2.305(4) . ?
O4 W1 2.036(4) . ?
O4 W4 2.036(4) . ?
O5 W2 2.016(4) . ?
O5 W1 2.158(5) . ?
O6 W2 2.007(4) . ?
O6 W4 2.131(4) . ?
O7 W2 1.735(4) . ?
O7 Na3 2.374(7) 2_656 ?
O7 Na1 2.505(6) . ?
O8 W2 1.832(4) . ?
O8 W3 2.163(4) 7_566 ?
O9 W2 1.821(4) . ?
O9 W3 2.140(4) . ?
O9 Na3 3.007(6) . ?
O10 W3 1.749(5) . ?
O10 Na3 2.254(8) . ?
O11 W1 1.891(4) . ?
O11 W3 1.915(4) . ?
O12 W3 1.760(5) . ?
O13 W4 1.863(4) . ?
O13 W3 1.953(4) 7_566 ?
O14 W4 1.743(5) . ?
O15 W4 1.742(5) . ?
O16 Na1 2.371(7) . ?
O17 Na1 2.467(11) . ?
O17 Na3 2.541(11) 2_656 ?
O18 Na2 2.413(6) . ?
O18 Na1 2.460(7) . ?
O19 Na2 2.428(7) . ?
O20 Na1 2.426(9) . ?
O21 Na1 2.403(7) . ?
O21 Na2 2.450(8) . ?
O22 Na2 2.435(7) . ?
O22 Na2 2.461(8) 7_567 ?
O23 Na2 2.442(9) . ?
O24 Na3 2.396(8) 2_656 ?
O24 Na3 2.396(8) . ?
O25 O32 1.43(2) . ?
O25 O32 1.43(2) 2_656 ?
O25 Na3 2.257(10) . ?
O25 Na3 2.257(10) 2_656 ?
O28 O28 1.49(3) 2_657 ?
O29 O31 1.57(5) . ?
O30 O31 1.46(3) 2_656 ?
O32 Na3 0.99(2) . ?
O32 Na3 2.75(2) 2_656 ?
C1 C2 1.390(12) . ?
C1 C6 1.408(12) . ?
C1 H1 0.9500 . ?
C2 C3 1.405(11) . ?
C2 H2 0.9500 . ?
C3 C4 1.405(13) . ?
C3 H3 0.9500 . ?
C4 C5 1.360(14) . ?
C4 H4 0.9500 . ?
C5 C6 1.386(13) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
W3 Na3 3.476(5) . ?
Na1 Na3 3.448(6) 2_656 ?
Na1 Na2 3.591(5) . ?
Na2 Na2 3.570(7) 7_567 ?
Na3 Na3 3.189(10) 2_656 ?
