#------------------------------------------------------------------------------
#$Date: 2021-07-05 20:12:21 +0300 (Mon, 05 Jul 2021) $
#$Revision: 267129 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/29/7242902.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_7242902
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 Na0.5 O38.7 Ru2 W8'
_chemical_formula_weight         2459.85
_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                 125.3540(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.1881(7)
_cell_length_b                   18.2571(6)
_cell_length_c                   16.5476(6)
_cell_measurement_reflns_used    8385
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.3277
_cell_measurement_theta_min      2.2310
_cell_volume                     5959.9(3)
_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 0.999
_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  0.0883
_diffrn_reflns_av_unetI/netI     0.0775
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            29760
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.500
_diffrn_reflns_theta_max         26.389
_diffrn_reflns_theta_min         2.065
_diffrn_source                   'sealed X-ray tube'
_exptl_absorpt_coefficient_mu    15.943
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.4949
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS, 2004)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.741
_exptl_crystal_description       block
_exptl_crystal_F_000             4316
_exptl_crystal_size_max          0.114
_exptl_crystal_size_mid          0.083
_exptl_crystal_size_min          0.082
_refine_diff_density_max         2.018
_refine_diff_density_min         -1.348
_refine_diff_density_rms         0.344
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         6095
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0926
_refine_ls_R_factor_gt           0.0532
_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)+(0.0765P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1379
_refine_ls_wR_factor_ref         0.1518
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4039
_reflns_number_total             6095
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            d1ce00319d3.cif
_cod_data_source_block           6
_cod_depositor_comments
'Adding full bibliography for 7242899--7242903.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C12 H12 Na0.50 O38.70 Ru2 W8'
_cod_database_code               7242902
_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   0.264
_shelx_estimated_absorpt_t_max   0.355
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
C1 C 0.5640(12) 0.3977(13) 0.0647(15) 0.071(5) Uani 1 1 d . U . . .
H1 H 0.556741 0.350433 0.036100 0.085 Uiso 1 1 calc R U . . .
C2 C 0.5251(11) 0.4213(12) 0.0897(15) 0.065(5) Uani 1 1 d . U . . .
H2 H 0.488334 0.391868 0.076483 0.079 Uiso 1 1 calc R U . . .
C3 C 0.5369(9) 0.4903(11) 0.1363(13) 0.051(4) Uani 1 1 d . U . . .
H3 H 0.508633 0.505451 0.155846 0.061 Uiso 1 1 calc R U . . .
C4 C 0.5857(9) 0.5340(11) 0.1533(13) 0.050(4) Uani 1 1 d . U . . .
H4 H 0.591251 0.580655 0.182480 0.060 Uiso 1 1 calc R U . . .
C5 C 0.6290(11) 0.5120(12) 0.1287(14) 0.059(4) Uani 1 1 d . U . . .
H5 H 0.665912 0.541794 0.143149 0.070 Uiso 1 1 calc R U . . .
C6 C 0.6155(11) 0.4407(12) 0.0795(14) 0.062(4) Uani 1 1 d . U . . .
H6 H 0.642325 0.424591 0.057964 0.074 Uiso 1 1 calc R U . . .
O1 O 0.6178(5) 0.3725(6) 0.3184(8) 0.034(3) Uani 1 1 d . . . . .
O2 O 0.7004(5) 0.3455(6) 0.2778(7) 0.038(3) Uani 1 1 d . . . . .
O3 O 0.6060(5) 0.2333(6) 0.2300(8) 0.037(3) Uani 1 1 d . . . . .
O4 O 0.6525(5) 0.2496(6) 0.4263(7) 0.031(2) Uani 1 1 d . . . . .
O5 O 0.7437(5) 0.2182(5) 0.3805(8) 0.031(2) Uani 1 1 d . . . . .
O6 O 0.7962(6) 0.4480(7) 0.2970(10) 0.052(3) Uani 1 1 d . . . . .
O7 O 0.8459(7) 0.4580(7) 0.4956(11) 0.063(4) Uani 1 1 d . . . . .
O8 O 0.8358(6) 0.3205(7) 0.4195(8) 0.047(3) Uani 1 1 d . . . . .
O9 O 0.8385(6) 0.1891(7) 0.3410(9) 0.055(4) Uani 1 1 d . . . . .
O10 O 0.9391(6) 0.2271(6) 0.5279(10) 0.052(3) Uani 1 1 d . . . . .
O11 O 0.6533(6) 0.3777(6) 0.5061(8) 0.039(3) Uani 1 1 d . . . . .
O12 O 0.7430(6) 0.4903(7) 0.5506(9) 0.050(3) Uani 1 1 d . . . . .
O13 O 0.7071(5) 0.4715(6) 0.3574(8) 0.037(3) Uani 1 1 d . . . . .
O14 O 0.8913(6) -0.0081(6) 0.6080(9) 0.047(3) Uani 1 1 d . . . . .
O15 O 0.7442(5) 0.3563(6) 0.4606(7) 0.034(3) Uani 1 1 d . . . . .
O16 O 0.500000 0.323(2) 0.250000 0.056(12) Uiso 0.6 2 d S . P . .
O17 O 0.6865(11) 0.0991(12) 0.2310(18) 0.043(6) Uiso 0.5 1 d . . P . .
O18 O 0.5156(8) 0.1868(9) 0.3143(12) 0.056(4) Uiso 0.8 1 d . . P . .
O19 O 0.8114(19) 0.405(2) 0.164(3) 0.043(9) Uiso 0.3 1 d . . P . .
O20 O 0.7378(18) 0.2915(18) 0.161(3) 0.081(10) Uiso 0.5 1 d . . P . .
O21 O 0.7573(17) -0.1194(18) 0.628(3) 0.034(8) Uiso 0.3 1 d . . P . .
O23 O 0.924(2) -0.153(3) 0.663(4) 0.065(13) Uiso 0.3 1 d . . P . .
O24 O 0.822(2) -0.222(3) 0.679(4) 0.030(12) Uiso 0.2 1 d . . P . .
O25 O 0.708(3) 0.262(3) 0.151(4) 0.032(13) Uiso 0.2 1 d . . P . .
O26 O 0.608(2) 0.165(2) 0.098(3) 0.040(11) Uiso 0.25 1 d . . P . .
O27 O 0.602(2) 0.050(2) 0.309(3) 0.036(10) Uiso 0.25 1 d . . P . .
O28 O 0.510(3) 0.319(4) 0.291(5) 0.035(14) Uiso 0.2 1 d . . P . .
O29 O 0.533(2) 0.138(3) 0.365(4) 0.050(13) Uiso 0.25 1 d . . P . .
Na1 Na 0.5747(15) 0.1174(16) 0.164(2) 0.053(7) Uiso 0.25 1 d . . P . .
Ru1 Ru 0.62823(6) 0.42916(7) 0.21813(9) 0.0338(3) Uani 1 1 d . . . . .
W1 W 0.66997(3) 0.27631(4) 0.33689(5) 0.03016(18) Uani 1 1 d . . . . .
W2 W 0.78798(3) 0.40909(4) 0.38725(5) 0.0381(2) Uani 1 1 d . . . . .
W3 W 0.85113(3) 0.21761(4) 0.45075(5) 0.03566(19) Uani 1 1 d . . . . .
W4 W 0.67733(3) 0.44614(4) 0.44570(5) 0.03537(19) 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'
O O 0.0106 0.0060 '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'
Ru Ru -1.2594 0.8363 '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'
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
C2 C1 C6 120(2) . . ?
C2 C1 Ru1 72.4(14) . . ?
C6 C1 Ru1 71.0(13) . . ?
C2 C1 H1 119.9 . . ?
C6 C1 H1 119.9 . . ?
Ru1 C1 H1 129.0 . . ?
C1 C2 C3 121(2) . . ?
C1 C2 Ru1 72.4(13) . . ?
C3 C2 Ru1 69.5(11) . . ?
C1 C2 H2 119.6 . . ?
C3 C2 H2 119.6 . . ?
Ru1 C2 H2 131.4 . . ?
C4 C3 C2 122(2) . . ?
C4 C3 Ru1 73.0(11) . . ?
C2 C3 Ru1 71.7(11) . . ?
C4 C3 H3 119.1 . . ?
C2 C3 H3 119.1 . . ?
Ru1 C3 H3 128.6 . . ?
C3 C4 C5 120(2) . . ?
C3 C4 Ru1 71.2(11) . . ?
C5 C4 Ru1 70.3(11) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
Ru1 C4 H4 131.4 . . ?
C4 C5 C6 117(2) . . ?
C4 C5 Ru1 71.8(11) . . ?
C6 C5 Ru1 70.5(11) . . ?
C4 C5 H5 121.4 . . ?
C6 C5 H5 121.4 . . ?
Ru1 C5 H5 128.2 . . ?
C1 C6 C5 120(2) . . ?
C1 C6 Ru1 71.8(13) . . ?
C5 C6 Ru1 69.2(11) . . ?
C1 C6 H6 120.1 . . ?
C5 C6 H6 120.1 . . ?
Ru1 C6 H6 131.7 . . ?
W1 O1 Ru1 101.1(5) . . ?
W1 O1 W4 111.8(4) . . ?
Ru1 O1 W4 98.3(4) . . ?
W1 O2 Ru1 104.6(5) . . ?
W1 O2 W2 113.1(5) . . ?
Ru1 O2 W2 98.6(4) . . ?
W1 O3 Na1 139.4(9) . . ?
W1 O4 W3 147.1(6) . 7_656 ?
W1 O5 W3 144.6(5) . . ?
W2 O8 W3 155.2(7) . . ?
W4 O11 W3 154.5(6) . 7_656 ?
W4 O13 W2 112.7(5) . . ?
W4 O13 Ru1 103.3(5) . . ?
W2 O13 Ru1 101.1(5) . . ?
W4 O15 W2 99.5(4) . . ?
W4 O15 W1 103.1(4) . . ?
W2 O15 W1 99.3(4) . . ?
O28 O16 O28 164(10) 2_655 . ?
O29 O18 O18 127(3) . 2_655 ?
O29 O18 Na1 62(3) . 2_655 ?
O18 O18 Na1 109.6(12) 2_655 2_655 ?
O16 O28 O28 8(10) . 2_655 ?
O18 O29 Na1 94(3) . 2_655 ?
O26 Na1 O17 64.3(17) . . ?
O26 Na1 O3 73.6(17) . . ?
O17 Na1 O3 86.1(12) . . ?
O26 Na1 O29 126(2) . 2_655 ?
O17 Na1 O29 166(2) . 2_655 ?
O3 Na1 O29 88.4(16) . 2_655 ?
O26 Na1 O27 147(2) . . ?
O17 Na1 O27 82.8(15) . . ?
O3 Na1 O27 100.1(15) . . ?
O29 Na1 O27 85.6(18) 2_655 . ?
O26 Na1 O18 120.2(19) . 2_655 ?
O17 Na1 O18 145.3(15) . 2_655 ?
O3 Na1 O18 65.1(9) . 2_655 ?
O29 Na1 O18 24.3(12) 2_655 2_655 ?
O27 Na1 O18 83.7(14) . 2_655 ?
O2 Ru1 O1 73.4(4) . . ?
O2 Ru1 O13 76.8(4) . . ?
O1 Ru1 O13 76.3(4) . . ?
O2 Ru1 C3 164.6(6) . . ?
O1 Ru1 C3 102.0(6) . . ?
O13 Ru1 C3 117.0(6) . . ?
O2 Ru1 C5 120.6(7) . . ?
O1 Ru1 C5 163.6(7) . . ?
O13 Ru1 C5 97.6(7) . . ?
C3 Ru1 C5 66.8(7) . . ?
O2 Ru1 C6 98.1(6) . . ?
O1 Ru1 C6 152.9(7) . . ?
O13 Ru1 C6 127.7(7) . . ?
C3 Ru1 C6 79.2(8) . . ?
C5 Ru1 C6 40.3(8) . . ?
O2 Ru1 C4 156.6(6) . . ?
O1 Ru1 C4 126.5(6) . . ?
O13 Ru1 C4 95.1(6) . . ?
C3 Ru1 C4 35.8(7) . . ?
C5 Ru1 C4 37.9(7) . . ?
C6 Ru1 C4 69.3(8) . . ?
O2 Ru1 C2 126.3(7) . . ?
O1 Ru1 C2 98.5(7) . . ?
O13 Ru1 C2 154.4(7) . . ?
C3 Ru1 C2 38.8(8) . . ?
C5 Ru1 C2 80.3(8) . . ?
C6 Ru1 C2 65.3(9) . . ?
C4 Ru1 C2 67.6(8) . . ?
O2 Ru1 C1 101.4(7) . . ?
O1 Ru1 C1 117.9(7) . . ?
O13 Ru1 C1 164.8(8) . . ?
C3 Ru1 C1 67.3(8) . . ?
C5 Ru1 C1 70.1(9) . . ?
C6 Ru1 C1 37.2(8) . . ?
C4 Ru1 C1 80.7(8) . . ?
C2 Ru1 C1 35.2(8) . . ?
O3 W1 O4 102.6(5) . . ?
O3 W1 O5 103.4(5) . . ?
O4 W1 O5 98.9(4) . . ?
O3 W1 O2 98.8(5) . . ?
O4 W1 O2 153.8(5) . . ?
O5 W1 O2 90.5(4) . . ?
O3 W1 O1 97.2(5) . . ?
O4 W1 O1 86.5(4) . . ?
O5 W1 O1 156.9(4) . . ?
O2 W1 O1 75.9(4) . . ?
O3 W1 O15 167.7(4) . . ?
O4 W1 O15 82.9(4) . . ?
O5 W1 O15 86.4(4) . . ?
O2 W1 O15 73.3(4) . . ?
O1 W1 O15 71.9(4) . . ?
O7 W2 O6 104.2(7) . . ?
O7 W2 O8 98.7(6) . . ?
O6 W2 O8 103.6(5) . . ?
O7 W2 O13 92.9(5) . . ?
O6 W2 O13 97.4(5) . . ?
O8 W2 O13 152.6(5) . . ?
O7 W2 O2 161.3(6) . . ?
O6 W2 O2 92.4(5) . . ?
O8 W2 O2 85.4(5) . . ?
O13 W2 O2 76.2(4) . . ?
O7 W2 O15 90.8(6) . . ?
O6 W2 O15 162.1(5) . . ?
O8 W2 O15 83.2(4) . . ?
O13 W2 O15 71.8(4) . . ?
O2 W2 O15 71.4(4) . . ?
O9 W3 O10 101.4(6) . . ?
O9 W3 O11 96.0(6) . 7_656 ?
O10 W3 O11 97.2(5) . 7_656 ?
O9 W3 O8 97.0(5) . . ?
O10 W3 O8 93.7(5) . . ?
O11 W3 O8 161.1(5) 7_656 . ?
O9 W3 O5 90.6(5) . . ?
O10 W3 O5 167.8(5) . . ?
O11 W3 O5 83.9(4) 7_656 . ?
O8 W3 O5 82.2(4) . . ?
O9 W3 O4 169.8(5) . 7_656 ?
O10 W3 O4 88.9(5) . 7_656 ?
O11 W3 O4 81.9(4) 7_656 7_656 ?
O8 W3 O4 82.9(4) . 7_656 ?
O5 W3 O4 79.3(4) . 7_656 ?
O12 W4 O14 104.9(6) . 7_656 ?
O12 W4 O11 99.4(5) . . ?
O14 W4 O11 101.7(5) 7_656 . ?
O12 W4 O13 96.5(5) . . ?
O14 W4 O13 96.6(5) 7_656 . ?
O11 W4 O13 151.8(5) . . ?
O12 W4 O1 163.8(5) . . ?
O14 W4 O1 90.3(5) 7_656 . ?
O11 W4 O1 82.6(4) . . ?
O13 W4 O1 75.9(4) . . ?
O12 W4 O15 92.6(5) . . ?
O14 W4 O15 160.7(5) 7_656 . ?
O11 W4 O15 83.1(4) . . ?
O13 W4 O15 73.0(4) . . ?
O1 W4 O15 71.6(4) . . ?
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
C1 C2 1.30(3) . ?
C1 C6 1.37(3) . ?
C1 Ru1 2.15(2) . ?
C1 H1 0.9500 . ?
C2 C3 1.42(3) . ?
C2 Ru1 2.15(2) . ?
C2 H2 0.9500 . ?
C3 C4 1.31(3) . ?
C3 Ru1 2.122(17) . ?
C3 H3 0.9500 . ?
C4 C5 1.39(3) . ?
C4 Ru1 2.143(18) . ?
C4 H4 0.9500 . ?
C5 C6 1.47(3) . ?
C5 Ru1 2.124(19) . ?
C5 H5 0.9500 . ?
C6 Ru1 2.14(2) . ?
C6 H6 0.9500 . ?
O1 W1 2.079(10) . ?
O1 Ru1 2.091(10) . ?
O1 W4 2.193(11) . ?
O2 W1 1.982(11) . ?
O2 Ru1 2.088(10) . ?
O2 W2 2.162(10) . ?
O3 W1 1.724(10) . ?
O3 Na1 2.30(3) . ?
O4 W1 1.826(10) . ?
O4 W3 2.170(10) 7_656 ?
O5 W1 1.827(10) . ?
O5 W3 2.147(10) . ?
O6 W2 1.765(11) . ?
O7 W2 1.751(14) . ?
O8 W2 1.877(12) . ?
O8 W3 1.927(12) . ?
O9 W3 1.738(13) . ?
O10 W3 1.745(12) . ?
O11 W4 1.890(11) . ?
O11 W3 1.907(11) 7_656 ?
O12 W4 1.731(12) . ?
O13 W4 2.023(11) . ?
O13 W2 2.061(11) . ?
O13 Ru1 2.112(11) . ?
O14 W4 1.766(11) 7_656 ?
O15 W4 2.215(11) . ?
O15 W2 2.239(10) . ?
O15 W1 2.301(10) . ?
O16 O28 0.58(7) 2_655 ?
O16 O28 0.58(7) . ?
O17 Na1 2.28(4) . ?
O18 O29 1.12(5) . ?
O18 O18 1.80(3) 2_655 ?
O18 Na1 2.72(3) 2_655 ?
O20 O25 0.84(5) . ?
O26 Na1 1.91(5) . ?
O27 Na1 2.42(5) . ?
O28 O28 1.14(14) 2_655 ?
O29 Na1 2.40(6) 2_655 ?
