##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
#                                                                            #
##############################################################################
                                             
data_global
_audit_creation_method     'by CrystalStructure v3.10'
_journal_date_recd_electronic     2003-04-15
_journal_date_accepted     2003-05-06
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2003
_journal_volume     59
_journal_issue      6
_journal_page_first     m336
_journal_page_last     m338
_journal_paper_category     EM
_publ_contact_author_name     'Akashi Haruo'
_publ_contact_author_address
;
Research Institute of Natural Sciences, Okayama University of Science,
Ridai-cho, Okayama
700-0005, Japan
;
_publ_contact_author_email     akashi@high.ous.ac.jp
_publ_contact_author_fax     ' +81-86-256-9721'
_publ_contact_author_phone     ' +81-86-256-9721'
_publ_section_title
;
Tetrasodium tetrahydroxytetrathiacalix[4]arenetetrasulfonate
octadecahydrate
;
loop_
    _publ_author_name
    _publ_author_address
    'Akashi, Haruo'
;
Research Institute of Natural Sciences, Okayama University of Science,
Ridai-cho, Okayama
700-0005, Japan
;
    'Yamauchi, Tsutomu'
;
Research Institute of Natural Sciences, Okayama University of Science,
Ridai-cho, Okayama
700-0005, Japan
;
data_I
_chemical_formula_moiety     'C24 H40 Na4 O30 S8'
_chemical_formula_sum     'C24 H40 Na4 O30 S8'
_chemical_formula_iupac     '4Na 1+, C24 H12 O16 S8 4-, 14H2 O1'
_chemical_formula_weight     1157.00
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x,y,z'
    '-x,-y,-z'
_cell_length_a     8.2974(7)
_cell_length_b     8.8446(6)
_cell_length_c     15.7890(10)
_cell_angle_alpha     95.743(4)
_cell_angle_beta     102.490(2)
_cell_angle_gamma     97.897(4)
_cell_volume     1110.40(10)
_cell_formula_units_Z     1
_cell_measurement_reflns_used     4591
_cell_measurement_theta_min     2.5
_cell_measurement_theta_max     27.5
_cell_measurement_temperature     93.1
_exptl_crystal_description     'plate'
_exptl_crystal_colour     'colorless'
_exptl_crystal_size_max     0.30
_exptl_crystal_size_mid     0.20
_exptl_crystal_size_min     0.10
_exptl_crystal_density_diffrn     1.730
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     596.00
_exptl_absorpt_coefficient_mu     0.539
_exptl_absorpt_correction_type     'multi-scan (Higashi, 1995)'
_exptl_absorpt_correction_T_min     0.848
_exptl_absorpt_correction_T_max     0.948
_diffrn_radiation_type     'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_measurement_device_type     'Rigaku R-AXIS-IV'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     10.00
_diffrn_reflns_number     8541
_diffrn_reflns_av_R_equivalents     0.018
_diffrn_reflns_theta_max     27.48
_diffrn_reflns_theta_full     26.50
_diffrn_measured_fraction_theta_max     0.9171
_diffrn_measured_fraction_theta_full     0.9223
_diffrn_reflns_limit_h_min     -10
_diffrn_reflns_limit_h_max     10
_diffrn_reflns_limit_k_min     -11
_diffrn_reflns_limit_k_max     11
_diffrn_reflns_limit_l_min     -20
_diffrn_reflns_limit_l_max     20
_reflns_number_total     4678
_reflns_number_gt     3541
_reflns_threshold_expression     F²>2σ(F²)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_R_factor_gt     0.0310
_refine_ls_wR_factor_ref     0.0910
_refine_ls_goodness_of_fit_ref     0.844
_refine_ls_number_reflns     4233
_refine_ls_number_parameters     358
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details     'w = 1/[0.001Fo² + σ²(Fo) + 0.5]/(4Fo²)'
_refine_ls_shift/su_max     0.0000
_refine_diff_density_max     0.46
_refine_diff_density_min     -0.54
_refine_ls_extinction_method     none
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.003 0.002
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
    'O' 'O' 0.011 0.006
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
    'S' 'S' 0.125 0.123
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
    'H' 'H' 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
    'Na' 'Na' 0.036 0.025
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
_computing_data_collection     'PROCESS-AUTO (Rigaku, 1998)'
_computing_cell_refinement     'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction     'CrystalStructure (Rigaku/MSC 2001)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'CrystalStructure (Rigaku/MSC 2001)'
_computing_molecular_graphics     'ORTEP3 for Windows (Farrugia, 1997)'
_computing_publication_material     'CrystalStructure (Rigaku/MSC 2001)'
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
    S1 0.43010(7) 0.27994(7) 0.45382(4) 0.00550(10)
                                                  Uani d . 1.00 . . S
    S2 0.16572(7) -0.33281(7) 0.45344(4) 0.00510(10)
                                                   Uani d . 1.00 . . S
    S3 0.21040(7) -0.09787(7) 0.14849(4) 0.00530(10)
                                                   Uani d . 1.00 . . S
    S4 0.43052(7) 0.52342(7) 0.78607(4) 0.00550(10)
                                                  Uani d . 1.00 . . S
    Na1 0.59680(10)
                  0.08050(10)
                            0.11192(6) 0.0091(2) Uani d . 1.00 . . Na
    Na2 0.17600(10)
                  -0.50270(10)
                             0.08505(6) 0.0102(2) Uani d . 1.00 . . Na
    O1 0.3103(2) 0.0041(2) 0.53190(10)
                                     0.0080(4) Uani d . 1.00 . . O
    O2 0.3151(2) 0.0318(2) 0.12640(10)
                                     0.0086(4) Uani d . 1.00 . . O
    O3 0.2526(2) -0.2459(2) 0.12050(10)
                                      0.0096(4) Uani d . 1.00 . . O
    O4 0.0314(2) -0.0916(2) 0.11680(10)
                                      0.0105(4) Uani d . 1.00 . . O
    O5 0.0644(2) 0.2550(2) 0.42690(10)
                                     0.0079(4) Uani d . 1.00 . . O
    O6 0.3848(2) 0.6765(2) 0.79650(10)
                                     0.0105(4) Uani d . 1.00 . . O
    O7 0.3704(2) 0.4248(2) 0.84570(10)
                                     0.0108(5) Uani d . 1.00 . . O
    O8 0.6086(2) 0.5273(2) 0.79070(10)
                                     0.0096(4) Uani d . 1.00 . . O
    O9 0.8835(2) 0.1779(2) 0.12510(10)
                                     0.0127(5) Uani d . 1.00 . . O
    O10 0.7461(2) -0.0932(2) 0.20880(10)
                                       0.0134(5) Uani d . 1.00 . . O
    O11 0.4993(2) 0.1736(2) -0.02060(10)
                                       0.0108(5) Uani d . 1.00 . . O
    O12 0.2069(2) -0.7417(2) 0.02650(10)
                                       0.0107(4) Uani d . 1.00 . . O
    O13 0.1253(2) -0.4631(2) -0.06510(10)
                                        0.0114(5) Uani d . 1.00 . . O
    O14 0.1040(2) 0.3651(2) 0.26380(10)
                                      0.0136(5) Uani d . 1.00 . . O
    O15 0.7472(2) 0.1531(2) 0.33720(10)
                                      0.0101(4) Uani d . 1.00 . . O
    C1 0.2861(3) -0.0281(3) 0.44450(10)
                                      0.0057(6) Uani d . 1.00 . . C
    C2 0.2199(3) -0.1744(3) 0.3970(2) 0.0062(6) Uani d . 1.00 . . C
    C3 0.2034(3) -0.1983(3) 0.3067(2) 0.0072(6) Uani d . 1.00 . . C
    C4 0.2483(3) -0.0743(3) 0.2637(2) 0.0060(6) Uani d . 1.00 . . C
    C5 0.3118(3) 0.0708(3) 0.3097(2) 0.0063(6) Uani d . 1.00 . . C
    C6 0.3312(3) 0.0948(3) 0.3997(2) 0.0054(6) Uani d . 1.00 . . C
    C7 0.1421(3) 0.3105(3) 0.5108(2) 0.0060(6) Uani d . 1.00 . . C
    C8 0.0573(3) 0.3548(3) 0.5748(2) 0.0056(6) Uani d . 1.00 . . C
    C9 0.1484(3) 0.4215(3) 0.6580(2) 0.0069(6) Uani d . 1.00 . . C
    C10 0.3220(3) 0.4378(3) 0.6790(2) 0.0065(6) Uani d . 1.00 . . C
    C11 0.4065(3) 0.3875(3) 0.6173(2) 0.0060(6) Uani d . 1.00 . . C
    C12 0.3166(3) 0.3260(3) 0.5330(2) 0.0054(6) Uani d . 1.00 . . C
    H1 0.285 -0.083 0.554 0.0100 Uiso c . 1.00 . . H
    H2 0.157 -0.301 0.279 0.0086 Uiso c . 1.00 . . H
    H3 0.345 0.161 0.280 0.0073 Uiso c . 1.00 . . H
    H4 -0.038 0.244 0.419 0.0095 Uiso c . 1.00 . . H
    H5 0.096 0.455 0.701 0.0083 Uiso c . 1.00 . . H
    H6 0.528 0.402 0.636 0.0075 Uiso c . 1.00 . . H
    H7 0.938 0.101 0.111 0.0162 Uiso c . 1.00 . . H
    H8 0.955 0.235 0.172 0.0162 Uiso c . 1.00 . . H
    H9 0.842 -0.092 0.191 0.0168 Uiso c . 1.00 . . H
    H10 0.700 -0.193 0.200 0.0169 Uiso c . 1.00 . . H
    H11 0.554 0.218 -0.058 0.0143 Uiso c . 1.00 . . H
    H12 0.427 0.236 -0.012 0.0144 Uiso c . 1.00 . . H
    H13 0.234 -0.812 0.062 0.0126 Uiso c . 1.00 . . H
    H14 0.121 -0.793 -0.016 0.0127 Uiso c . 1.00 . . H
    H15 0.193 -0.502 -0.096 0.0150 Uiso c . 1.00 . . H
    H16 0.139 -0.363 -0.071 0.0149 Uiso c . 1.00 . . H
    H17 0.112 0.343 0.3188 0.0168 Uiso c . 1.00 . . H
    H18 0.211 0.389 0.260 0.0169 Uiso c . 1.00 . . H
    H19 0.698 0.215 0.302 0.0126 Uiso c . 1.00 . . H
    H20 0.742 0.066 0.302 0.0125 Uiso c . 1.00 . . H
loop_
    _atom_site_aniso_label
    _atom_site_aniso_U_11
    _atom_site_aniso_U_22
    _atom_site_aniso_U_33
    _atom_site_aniso_U_12
    _atom_site_aniso_U_13
    _atom_site_aniso_U_23
    S1 0.0046(3) 0.0053(3) 0.0066(3) -0.0015(2) 0.0032(2) -0.0003(2)
    S2 0.0031(3) 0.0056(3) 0.0067(3) -0.0002(2) 0.0015(2) 0.0022(2)
    S3 0.0059(3) 0.0055(3) 0.0049(3) 0.0003(2) 0.0022(2) 0.0009(2)
    S4 0.0050(3) 0.0062(3) 0.0048(3) -0.0001(2) 0.0008(2) 0.0004(2)
    Na1 0.0076(5) 0.0103(5) 0.0090(5) 0.0004(4) 0.0019(4) 0.0010(4)
    Na2 0.0114(5) 0.0080(5) 0.0104(5) 0.0014(4) 0.0010(4) 0.0007(4)
    O1 0.0119(9) 0.0058(9) 0.0061(8) -0.0013(6) 0.0032(7) 0.0008(7)
    O2 0.0107(9) 0.0078(9) 0.0078(8) -0.0001(7) 0.0039(7) 0.0023(7)
    O3 0.0147(9) 0.0054(9) 0.0105(9) 0.0030(7) 0.0066(7) 0.0003(7)
    O4 0.0062(9) 0.0150(10)
                          0.0096(9) 0.0019(7) 0.0010(7) 0.0004(7)
    O5 0.0034(8) 0.0130(10)
                          0.0053(8) -0.0015(7) -0.0001(7) -0.0024(7)
    O6 0.0129(9) 0.0073(9) 0.0094(9) 0.0026(7) -0.0006(7) -0.0014(7)
    O7 0.0133(9) 0.0120(10)
                          0.0078(8) -0.0006(7) 0.0042(7) 0.0039(7)
    O8 0.0062(9) 0.0140(10)
                          0.0078(8)  0.0000(7) 0.0004(7) -0.0004(7)
    O9 0.0097(9) 0.0100(10)
                          0.0190(10)
                                   0.0021(7) 0.0046(8) 0.0010(8)
    O10 0.0150(10)
                 0.0090(10)
                          0.0170(10)
                                   0.0009(7) 0.0051(8) 0.0021(8)
    O11 0.0115(9) 0.0120(10)
                           0.0109(9) 0.0034(7) 0.0063(7) 0.0035(7)
    O12 0.0110(9) 0.0098(9) 0.0100(9) 0.0022(7) -0.0009(7) 0.0018(7)
    O13 0.0145(9) 0.0090(10)
                           0.0124(9) 0.0032(7) 0.0060(7) 0.0031(7)
    O14 0.0101(9) 0.0200(10)
                           0.0121(9) 0.0030(7) 0.0038(7) 0.0044(8)
    O15 0.0118(9) 0.0103(9) 0.0074(8) 0.0009(7) 0.0007(7) 0.0013(7)
    C1 0.0020(10)
                0.0100(10)
                         0.0050(10)
                                  0.0028(8) 0.0005(8) 0.0011(9)
    C2 0.0050(10)
                0.0060(10)
                         0.0090(10)
                                  0.0008(8) 0.0038(9) 0.0029(9)
    C3 0.0060(10)
                0.0060(10)
                         0.0100(10)
                                  0.0006(9) 0.0018(9)  0.0000(10)
    C4 0.0040(10)
                0.0070(10)
                         0.0080(10)
                                  0.0012(8) 0.0024(9) 0.0004(9)
    C5 0.0050(10)
                0.0070(10)
                         0.0070(10)
                                  0.0005(8) 0.0021(9) 0.0026(9)
    C6 0.0040(10)
                0.0050(10)
                         0.0070(10)
                                  0.0011(8) 0.0014(9) -0.0015(9)
    C7 0.0060(10)
                0.0040(10)
                         0.0080(10)
                                  -0.0001(8) 0.0012(9) 0.0018(9)
    C8 0.0040(10)
                0.0040(10)
                         0.0090(10)
                                  0.0001(8) 0.0024(9) 0.0027(9)
    C9 0.0070(10)
                0.0050(10)
                         0.0090(10)
                                  0.0001(9) 0.0039(9) 0.0017(9)
    C10 0.0090(10)
                 0.0030(10)
                          0.0070(10)
                                   0.0005(8) 0.0011(9) 0.0012(9)
    C11 0.0040(10)
                 0.0060(10)
                          0.0090(10)
                                   0.0006(8) 0.0025(9) 0.0029(9)
    C12 0.0080(10)
                 0.0020(10)
                          0.0060(10)
                                   -0.0013(8) 0.0026(9) 0.0008(9)
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_1
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    S1 C6 . . 1.770(2) yes
    S1 C12 . . 1.769(2) yes
    S2 C2 . . 1.792(2) yes
    S2 C8 . 2_556 1.785(2) yes
    S3 O2 . . 1.4590(18) yes
    S3 O3 . . 1.4524(18) yes
    S3 O4 . . 1.4715(18) yes
    S3 C4 . . 1.763(2) yes
    S4 O6 . . 1.4590(18) yes
    S4 O7 . . 1.4635(18) yes
    S4 O8 . . 1.4593(18) yes
    S4 C10 . . 1.772(2) yes
    O1 C1 . . 1.347(3) yes
    O1 H1 . . 0.89 no
    O5 C7 . . 1.350(3) yes
    O5 H4 . . 0.82 no
    O9 H7 . . 0.90 no
    O9 H8 . . 0.90 no
    O10 H9 . . 0.90 no
    O10 H10 . . 0.90 no
    O11 H11 . . 0.90 no
    O11 H12 . . 0.90 no
    O12 H13 . . 0.90 no
    O12 H14 . . 0.90 no
    O13 H15 . . 0.90 no
    O13 H16 . . 0.898 no
    O14 H17 . . 0.90 no
    O14 H18 . . 0.90 no
    O15 H19 . . 0.90 no
    O15 H20 . . 0.90 no
    C1 C2 . . 1.404(4) yes
    C1 C6 . . 1.406(3) yes
    C2 C3 . . 1.395(3) yes
    C3 C4 . . 1.396(3) yes
    C3 H2 . . 0.96 no
    C4 C5 . . 1.383(4) yes
    C5 C6 . . 1.386(3) yes
    C5 H3 . . 1.00 no
    C7 C8 . . 1.405(3) yes
    C7 C12 . . 1.398(3) yes
    C8 C9 . . 1.393(3) yes
    C9 C10 . . 1.390(3) yes
    C9 H5 . . 0.92 no
    C10 C11 . . 1.390(3) yes
    C11 C12 . . 1.392(3) yes
    C11 H6 . . 0.98 no
    Na1 O2 . . 2.382(2) yes
    Na1 O6 . 2_666 2.434(2) yes
    Na1 O9 . . 2.373(2) yes
    Na1 O10 . . 2.531(2) yes
    Na1 O11 . . 2.347(2) yes
    Na1 O11 . 2_655 2.475(2) yes
    Na2 O3 . . 2.252(2) yes
    Na2 O8 . 2_656 2.402(2) yes
    Na2 O12 . . 2.292(2) yes
    Na2 O13 . . 2.387(2) yes
    Na2 O13 . 2_545 2.423(2) yes
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_2
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    C6 S1 C12 . . . 105.61(11) yes
    C2 S2 C8 . . 2_556 100.93(11) yes
    O2 S3 O3 . . . 112.97(11) yes
    O2 S3 O4 . . . 111.40(11) yes
    O3 S3 O4 . . . 112.24(11) yes
    O2 S3 C4 . . . 106.15(11) yes
    O3 S3 C4 . . . 107.77(11) yes
    O4 S3 C4 . . . 105.79(11) yes
    O6 S4 O7 . . . 112.21(11) yes
    O6 S4 O8 . . . 113.01(11) yes
    O7 S4 O8 . . . 112.27(11) yes
    O6 S4 C10 . . . 105.68(11) yes
    O7 S4 C10 . . . 106.04(11) yes
    O8 S4 C10 . . . 107.00(11) yes
    C1 O1 H1 . . . 108.8 no
    S3 O2 Na1 . . . 134.69(11) yes
    S3 O3 Na2 . . . 148.88(12) yes
    C7 O5 H4 . . . 112.6 no
    S4 O6 Na1 . . 2_666 149.38(11) yes
    S4 O8 Na2 . . 2_656 127.90(10)
                                 yes
    H7 O9 H8 . . . 104.5 no
    H9 O10 H10 . . . 104.5 no
    Na1 O11 Na1 . . 2_655 96.80(7) yes
    H11 O11 H12 . . . 104.5 no
    H13 O12 H14 . . . 104.5 no
    Na2 O13 Na2 . . 2_545 94.18(7) yes
    H15 O13 H16 . . . 104.5 no
    H17 O14 H18 . . . 104.5 no
    H19 O15 H20 . . . 104.5 no
    O1 C1 C2 . . . 124.1(2) yes
    O1 C1 C6 . . . 116.6(2) yes
    C2 C1 C6 . . . 119.3(2) yes
    S2 C2 C1 . . . 119.80(18) yes
    S2 C2 C3 . . . 119.92(19) yes
    C1 C2 C3 . . . 120.2(2) yes
    C2 C3 C4 . . . 119.4(2) yes
    C2 C3 H2 . . . 114.9 no
    C4 C3 H2 . . . 125.7 no
    S3 C4 C3 . . . 120.07(19) yes
    S3 C4 C5 . . . 118.89(19) yes
    C3 C4 C5 . . . 120.9(2) yes
    C4 C5 C6 . . . 120.1(2) yes
    C4 C5 H3 . . . 121.7 no
    C6 C5 H3 . . . 118.2 no
    S1 C6 C1 . . . 122.96(18) yes
    S1 C6 C5 . . . 116.68(19) yes
    C1 C6 C5 . . . 120.1(2) yes
    O5 C7 C8 . . . 123.5(2) yes
    O5 C7 C12 . . . 117.0(2) yes
    C8 C7 C12 . . . 119.4(2) yes
    S2 C8 C9 2_556 . . 120.93(18) yes
    S2 C8 C7 2_556 . . 119.39(18) yes
    C7 C8 C9 . . . 119.6(2) yes
    C8 C9 C10 . . . 120.2(2) yes
    C8 C9 H5 . . . 121.4 no
    C10 C9 H5 . . . 118.3 no
    S4 C10 C9 . . . 118.03(18) yes
    S4 C10 C11 . . . 121.50(18) yes
    C9 C10 C11 . . . 120.5(2) yes
    C10 C11 C12 . . . 119.5(2) yes
    C10 C11 H6 . . . 116.6 no
    C12 C11 H6 . . . 123.8 no
    S1 C12 C7 . . . 121.24(18) yes
    S1 C12 C11 . . . 118.07(18) yes
    C7 C12 C11 . . . 120.6(2) yes
    O2 Na1 O6 . . 2_666 85.21(7) yes
    O2 Na1 O9 . . . 166.16(8) yes
    O2 Na1 O10 . . . 104.32(7) yes
    O2 Na1 O11 . . . 88.49(7) yes
    O2 Na1 O11 . . 2_655 79.91(7) yes
    O6 Na1 O9 2_666 . . 81.28(7) yes
    O9 Na1 O10 . . . 76.97(7) yes
    O9 Na1 O11 . . . 95.64(7) yes
    O9 Na1 O11 . . 2_655 113.65(7) yes
    O10 Na1 O11 . . . 155.35(8) yes
    O11 Na1 O11 . . 2_655 83.20(7) yes
    S3 Na2 O12 . . . 165.22(6) yes
    O3 Na2 O12 . . . 153.71(8) yes
    O3 Na2 O13 . . . 87.89(7) yes
    O3 Na2 O8 . . 2_656 87.03(7) yes
    O3 Na2 O12 . . . 153.71(8) yes
    O3 Na2 O13 . . 2_545 102.85(7) yes
    O8 Na2 O12 2_656 . . 87.12(7) yes
    O8 Na2 O13 2_656 . . 143.44(7) yes
    O8 Na2 O13 2_656 . 2_545 130.56(7) yes
    O12 Na2 O13 . . . 81.71(7) yes
    O12 Na2 O13 . . 2_545 100.41(7) yes
    O13 Na2 O13 . . 2_545 85.82(7) yes
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    O1 H1 O15 2_656 0.90 1.95 2.693(2) 140
    O5 H4 O15 1_455 0.82 1.97 2.688(2) 146
    O9 H7 O4 1_655 0.90 1.97 2.831(3) 159
    O9 H8 O14 1_655 0.90 1.86 2.756(3) 176
    O10 H9 O4 1_655 0.90 2.16 3.033(3) 166
    O10 H9 O9 . 0.90 2.71 3.055(3) 104
    O10 H10 O7 2_656 0.90 2.06 2.939(3) 165
    O11 H11 O3 2_655 0.90 2.06 2.894(2) 153
    O11 H12 O12 1_565 0.90 2.07 2.858(3) 146
    O12 H13 O2 1_545 0.90 1.91 2.796(3) 171
    O12 H14 O4 2_545 0.90 1.90 2.793(3) 170
    O13 H15 O7 1_544 0.90 2.04 2.935(3) 173
    O13 H16 O9 2_655 0.90 1.93 2.787(3) 159
    O14 H17 O5 . 0.90 2.04 2.910(3) 163
