data_global
_audit_creation_date                               2017-04-04
_audit_creation_method                            'by CrystalStructure 4.2.2'
_audit_update_record                               ?

#==============================================================================
# PROCESSING SUMMARY (IUCr Office Use Only)

_journal_date_recd_electronic                      ?
_journal_date_from_coeditor                        ?
_journal_date_accepted                             ?
_journal_coeditor_code                             ?

#==============================================================================
# SUBMISSION DETAILS

_publ_contact_author_name                         'ENTER NAME'
_publ_contact_author_email                        'ENTER EMAIL ADDRESS'
_publ_contact_author_fax                          'ENTER FAX NUMBER'
_publ_contact_author_phone                        'ENTER PHONE NUMBER'
_publ_contact_letter
;
    ENTER TEXT OF LETTER
;
_publ_requested_journal                           'ENTER JOURNAL NAME HERE'
_publ_requested_category
                                               'CHOOSE FI FM FO CI CM CO or AD'
_publ_requested_coeditor_name                      ?

#==============================================================================
# TITLE AND AUTHOR LIST

_publ_section_title
;
    ENTER SECTION TITLE
;
_publ_section_title_footnote
;
    ENTER FOOTNOTE TO TITLE OF PAPER
;
loop_
_publ_author_name
_publ_author_footnote
_publ_author_address
' FIRST AUTHORS NAME '
;
  FIRST AUTHORS FOOTNOTES
;
;
  FIRST AUTHORS ADDRESS
;
_publ_section_synopsis
;
    ENTER SYNOPSIS
;

#==============================================================================
# TEXT

_publ_section_abstract
;
    ENTER ABSTRACT
;
_publ_section_comment
;
    ENTER TEXT
;
_publ_section_references
;
    ENTER OTHER REFERENCES

    Rigaku (2016). CrystalStructure. Version 4.2.2. 
    Rigaku Corporation, Tokyo, Japan.

    Burla, M. C., Caliandro, R., Camalli, M., Carrozzini, B., 
    Cascarano, G. L., De Caro, L., Giacovazzo, C., Polidori, G. and Spagna R.
    (2005). J. Appl. Cryst. 38, 381-388.
    SIR2004

    Sheldrick, G.M. (2008) SHELXL Version 2014/7, Acta Cryst. A64, 112-122.

    Rigaku (1995). ABSCOR. 
    Rigaku Corporation, Tokyo, Japan.

;
_publ_section_figure_captions
;
    ENTER FIGURE CAPTIONS
;
_publ_section_exptl_prep
;
    ENTER COMPOUND PREPARATION DETAILS
;
_publ_section_exptl_refinement
;
    ENTER SPECIAL DETAILS OF THE REFINEMENT
;

#==============================================================================
data_170313

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum                             'C26 H16 N2 Na2 O12 S2'
_chemical_formula_moiety                          'C26 H16 N2 Na2 O12 S2'
_chemical_formula_weight                           658.52
_chemical_melting_point                            ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system                        monoclinic
_space_group_name_H-M_alt                         'P 1 21/c 1'
_space_group_name_Hall                            '-P 2ybc'
_space_group_IT_number                             14
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1   '+X,+Y,+Z'
2   '-X,1/2+Y,1/2-Z'
3   '-X,-Y,-Z'
4   '+X,-1/2-Y,-1/2+Z'
#------------------------------------------------------------------------------
_cell_length_a                                     21.0006(4)
_cell_length_b                                     8.10823(15)
_cell_length_c                                     7.57570(14)
_cell_angle_alpha                                  90.0000
_cell_angle_beta                                   97.5156(11)
_cell_angle_gamma                                  90.0000
_cell_volume                                       1278.89(4)
_cell_formula_units_Z                              2
_cell_measurement_reflns_used                      4419
_cell_measurement_theta_min                        4.25
_cell_measurement_theta_max                        68.19
_cell_measurement_temperature                      100
#------------------------------------------------------------------------------
_exptl_crystal_description                         platelet
_exptl_crystal_colour                              colorless
_exptl_crystal_size_max                            0.100
_exptl_crystal_size_mid                            0.100
_exptl_crystal_size_min                            0.010
_exptl_crystal_density_diffrn                      1.710
_exptl_crystal_density_meas                        ?
_exptl_crystal_density_method                     'not measured'
_exptl_crystal_F_000                               672.00
_exptl_absorpt_coefficient_mu                      2.903
_exptl_absorpt_correction_type                     multi-scan
_exptl_absorpt_process_details                    'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min                    0.786
_exptl_absorpt_correction_T_max                    0.971

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature                        100
_diffrn_radiation_type                            'Cu K\a'
_diffrn_radiation_wavelength                       1.54187
_diffrn_measurement_device_type                   'Rigaku R-AXIS RAPID'
_diffrn_measurement_method                         ω
_diffrn_detector_area_resol_mean                   10.000
_diffrn_reflns_number                              13855
_diffrn_reflns_av_R_equivalents                    0.0550
_diffrn_reflns_theta_max                           68.232
_diffrn_reflns_theta_min                           4.247
_diffrn_reflns_theta_full                          67.687
_diffrn_measured_fraction_theta_max                1.000
_diffrn_measured_fraction_theta_full               1.000
_diffrn_reflns_Laue_measured_fraction_max          1.000
_diffrn_reflns_Laue_measured_fraction_full         1.000
_diffrn_reflns_point_group_measured_fraction_max   1.000
_diffrn_reflns_point_group_measured_fraction_full  1.000
_diffrn_reflns_limit_h_min                        -25
_diffrn_reflns_limit_h_max                         25
_diffrn_reflns_limit_k_min                        -9
_diffrn_reflns_limit_k_max                         9
_diffrn_reflns_limit_l_min                        -8
_diffrn_reflns_limit_l_max                         9
_diffrn_standards_number                           0
_diffrn_standards_interval_count                   .
_diffrn_standards_decay_%                          ?
_reflns_number_total                               2346
_reflns_number_gt                                  1842
_reflns_threshold_expression                       F²>2.0σ(F²)
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_max      .
_reflns_Friedel_fraction_full     .

#==============================================================================
# REFINEMENT DATA

_refine_special_details
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef                   Fsqd
_refine_ls_R_factor_all                            0.0581
_refine_ls_R_factor_gt                             0.0461
_refine_ls_wR_factor_ref                           0.1385
_refine_ls_wR_factor_gt                            0.1252
_refine_ls_number_restraints                       0
_refine_ls_hydrogen_treatment                      constr
_refine_ls_number_reflns                           2346
_refine_ls_number_parameters                       199
_refine_ls_goodness_of_fit_ref                     1.093
_refine_ls_weighting_scheme                        calc
_refine_ls_weighting_details
           'w = 1/[σ²(Fo²)+(0.0732P)²+0.3411P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens                     geom
_atom_sites_solution_primary                       direct
_atom_sites_solution_secondary                     difmap
_refine_ls_shift/su_max                            0.000
_refine_diff_density_max                           0.61
_refine_diff_density_min                          -0.56
_refine_ls_extinction_method                       none
_refine_ls_extinction_coef                         ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
  'C' 'C'  0.0181 0.0091 
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
  'H' 'H'  0.0000 0.0000 
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
  'O' 'O'  0.0492 0.0322 
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
  'N' 'N'  0.0311 0.0180 
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
  'S' 'S'  0.3331 0.5567 
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
  'Na' 'Na'  0.1353 0.1239 
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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
S1 S 0.08242(3) 0.05528(9) 0.84125(10) 0.0248(2) Uani 1 1 d . . . . .
Na1 Na 0.02008(5) -0.29179(14) 0.95351(15) 0.0299(3) Uani 1 1 d . . . . .
O1 O 0.08154(9) -0.0491(2) 0.9971(3) 0.0303(5) Uani 1 1 d . . . . .
O2 O 0.30016(9) -0.0354(2) 0.3634(3) 0.0298(5) Uani 1 1 d . . . . .
O3 O 0.39303(9) 0.1479(2) 0.9045(3) 0.0296(5) Uani 1 1 d . . . . .
O4 O 0.04511(9) -0.0165(3) 0.6847(3) 0.0328(5) Uani 1 1 d . . . . .
O5 O 0.06294(9) 0.2247(2) 0.8690(3) 0.0344(5) Uani 1 1 d . . . . .
O6 O 0.10980(9) -0.4226(3) 0.8617(3) 0.0324(5) Uani 1 1 d . . . . .
N1 N 0.34707(11) 0.0489(3) 0.6367(3) 0.0256(6) Uani 1 1 d . . . . .
C3 C 0.16288(13) 0.0603(3) 0.7945(4) 0.0232(6) Uani 1 1 d . . . . .
C4 C 0.34941(13) -0.0051(3) 0.4614(4) 0.0253(6) Uani 1 1 d . . . . .
C5 C 0.42026(13) -0.0872(3) 0.2398(4) 0.0260(6) Uani 1 1 d . . . . .
H5 H 0.3829 -0.1129 0.1597 0.031 Uiso 1 1 calc R U . . .
C6 C 0.39981(13) 0.0956(3) 0.7566(4) 0.0249(6) Uani 1 1 d . . . . .
C7 C 0.46396(13) 0.0741(3) 0.6979(4) 0.0237(6) Uani 1 1 d . . . . .
C8 C 0.41422(13) -0.0272(3) 0.4062(4) 0.0245(6) Uani 1 1 d . . . . .
C9 C 0.46906(13) 0.0115(3) 0.5262(4) 0.0243(6) Uani 1 1 d . . . . .
C10 C 0.18631(12) 0.2004(4) 0.7195(4) 0.0255(6) Uani 1 1 d . . . . .
H10 H 0.1606 0.2970 0.7030 0.031 Uiso 1 1 calc R U . . .
C11 C 0.26088(14) -0.0824(4) 0.7715(4) 0.0307(7) Uani 1 1 d . . . . .
H11 H 0.2868 -0.1785 0.7890 0.037 Uiso 1 1 calc R U . . .
C12 C 0.24783(13) 0.1986(4) 0.6683(4) 0.0268(6) Uani 1 1 d . . . . .
H12 H 0.2645 0.2934 0.6165 0.032 Uiso 1 1 calc R U . . .
C13 C 0.28371(13) 0.0571(3) 0.6944(4) 0.0251(6) Uani 1 1 d . . . . .
C14 C 0.19984(13) -0.0806(4) 0.8227(4) 0.0296(7) Uani 1 1 d . . . . .
H14 H 0.1837 -0.1750 0.8764 0.036 Uiso 1 1 calc R U . . .
C15 C 0.51878(13) 0.1111(4) 0.8129(4) 0.0272(7) Uani 1 1 d . . . . .
H15 H 0.5152 0.1528 0.9283 0.033 Uiso 1 1 calc R U . . .


#==============================================================================
_computing_data_collection                        'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement                        'RAPID AUTO'
_computing_data_reduction                         'RAPID AUTO'
_computing_structure_solution
                                                'SIR2004 (Burla, et al., 2005)'
_computing_structure_refinement
                                      'SHELXL Version 2014/7 (Sheldrick, 2008)'
_computing_publication_material
                                        'CrystalStructure 4.2.2 (Rigaku, 2016)'
_computing_molecular_graphics                     'CrystalStructure 4.2.2'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
S1 O4 1.454(2) . ?
S1 O1 1.455(2) . ?
S1 O5 1.456(2) . ?
S1 C3 1.772(3) . ?
S1 Na1 3.1464(13) 2_556 ?
S1 Na1 3.2630(13) . ?
Na1 O6 2.346(2) . ?
Na1 O4 2.350(2) 4_556 ?
Na1 O1 2.353(2) . ?
Na1 O5 2.399(2) 3_557 ?
Na1 O4 2.432(2) 2_546 ?
Na1 O5 2.813(3) 2_546 ?
Na1 S1 3.1464(13) 2_546 ?
Na1 Na1 3.573(2) 3_547 ?
Na1 Na1 3.8480(4) 4_556 ?
Na1 Na1 3.8480(4) 4 ?
O2 C4 1.217(3) . ?
O3 C6 1.224(3) . ?
O4 Na1 2.350(2) 4 ?
O4 Na1 2.432(2) 2_556 ?
O5 Na1 2.399(2) 3_557 ?
O5 Na1 2.813(3) 2_556 ?
N1 C6 1.390(4) . ?
N1 C4 1.405(4) . ?
N1 C13 1.456(3) . ?
C3 C14 1.382(4) . ?
C3 C10 1.389(4) . ?
C4 C8 1.486(4) . ?
C5 C8 1.373(4) . ?
C5 C15 1.403(4) 3_656 ?
C5 H5 0.9500 . ?
C6 C7 1.483(4) . ?
C7 C15 1.383(4) . ?
C7 C9 1.413(4) . ?
C8 C9 1.406(4) . ?
C9 C9 1.420(5) 3_656 ?
C10 C12 1.397(4) . ?
C10 H10 0.9500 . ?
C11 C13 1.387(4) . ?
C11 C14 1.387(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.373(4) . ?
C12 H12 0.9500 . ?
C14 H14 0.9500 . ?
C15 C5 1.404(4) 3_656 ?
C15 H15 0.9500 . ?

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
O4 S1 O1 111.49(13) . . ?
O4 S1 O5 111.31(13) . . ?
O1 S1 O5 113.45(12) . . ?
O4 S1 C3 105.81(12) . . ?
O1 S1 C3 106.80(12) . . ?
O5 S1 C3 107.49(12) . . ?
O4 S1 Na1 48.20(9) . 2_556 ?
O1 S1 Na1 136.48(8) . 2_556 ?
O5 S1 Na1 63.37(9) . 2_556 ?
C3 S1 Na1 115.54(10) . 2_556 ?
O4 S1 Na1 71.08(9) . . ?
O1 S1 Na1 40.42(9) . . ?
O5 S1 Na1 130.24(8) . . ?
C3 S1 Na1 119.82(9) . . ?
Na1 S1 Na1 105.32(3) 2_556 . ?
O6 Na1 O4 79.14(8) . 4_556 ?
O6 Na1 O1 88.44(8) . . ?
O4 Na1 O1 112.56(8) 4_556 . ?
O6 Na1 O5 159.96(9) . 3_557 ?
O4 Na1 O5 80.81(8) 4_556 3_557 ?
O1 Na1 O5 99.05(8) . 3_557 ?
O6 Na1 O4 87.84(8) . 2_546 ?
O4 Na1 O4 83.33(8) 4_556 2_546 ?
O1 Na1 O4 162.65(8) . 2_546 ?
O5 Na1 O4 90.10(8) 3_557 2_546 ?
O6 Na1 O5 101.23(7) . 2_546 ?
O4 Na1 O5 137.03(8) 4_556 2_546 ?
O1 Na1 O5 110.39(7) . 2_546 ?
O5 Na1 O5 93.59(7) 3_557 2_546 ?
O4 Na1 O5 53.95(6) 2_546 2_546 ?
O6 Na1 S1 96.48(6) . 2_546 ?
O4 Na1 S1 109.50(7) 4_556 2_546 ?
O1 Na1 S1 137.82(7) . 2_546 ?
O5 Na1 S1 90.41(6) 3_557 2_546 ?
O4 Na1 S1 26.47(5) 2_546 2_546 ?
O5 Na1 S1 27.57(4) 2_546 2_546 ?
O6 Na1 S1 87.00(6) . . ?
O4 Na1 S1 134.97(7) 4_556 . ?
O1 Na1 S1 23.63(5) . . ?
O5 Na1 S1 107.23(6) 3_557 . ?
O4 Na1 S1 139.13(6) 2_546 . ?
O5 Na1 S1 87.53(5) 2_546 . ?
S1 Na1 S1 114.55(4) 2_546 . ?
O6 Na1 Na1 81.40(6) . 3_547 ?
O4 Na1 Na1 42.54(6) 4_556 3_547 ?
O1 Na1 Na1 154.44(8) . 3_547 ?
O5 Na1 Na1 84.04(6) 3_557 3_547 ?
O4 Na1 Na1 40.79(5) 2_546 3_547 ?
O5 Na1 Na1 94.63(6) 2_546 3_547 ?
S1 Na1 Na1 67.06(4) 2_546 3_547 ?
S1 Na1 Na1 168.40(5) . 3_547 ?
O6 Na1 Na1 118.35(6) . 4_556 ?
O4 Na1 Na1 53.95(6) 4_556 4_556 ?
O1 Na1 Na1 77.60(6) . 4_556 ?
O5 Na1 Na1 46.76(6) 3_557 4_556 ?
O4 Na1 Na1 118.90(6) 2_546 4_556 ?
O5 Na1 Na1 140.07(5) 2_546 4_556 ?
S1 Na1 Na1 132.84(3) 2_546 4_556 ?
S1 Na1 Na1 98.99(4) . 4_556 ?
Na1 Na1 Na1 86.67(4) 3_547 4_556 ?
O6 Na1 Na1 71.60(6) . 4 ?
O4 Na1 Na1 145.24(8) 4_556 4 ?
O1 Na1 Na1 85.42(6) . 4 ?
O5 Na1 Na1 127.25(6) 3_557 4 ?
O4 Na1 Na1 77.32(5) 2_546 4 ?
O5 Na1 Na1 38.41(4) 2_546 4 ?
S1 Na1 Na1 57.24(2) 2_546 4 ?
S1 Na1 Na1 62.61(3) . 4 ?
Na1 Na1 Na1 113.01(5) 3_547 4 ?
Na1 Na1 Na1 159.71(7) 4_556 4 ?
S1 O1 Na1 115.95(12) . . ?
S1 O4 Na1 156.43(14) . 4 ?
S1 O4 Na1 105.33(11) . 2_556 ?
Na1 O4 Na1 96.67(8) 4 2_556 ?
S1 O5 Na1 122.22(11) . 3_557 ?
S1 O5 Na1 89.06(10) . 2_556 ?
Na1 O5 Na1 94.83(7) 3_557 2_556 ?
C6 N1 C4 125.4(2) . . ?
C6 N1 C13 118.2(2) . . ?
C4 N1 C13 116.4(2) . . ?
C14 C3 C10 121.2(3) . . ?
C14 C3 S1 118.8(2) . . ?
C10 C3 S1 119.9(2) . . ?
O2 C4 N1 120.5(2) . . ?
O2 C4 C8 122.7(3) . . ?
N1 C4 C8 116.7(2) . . ?
C8 C5 C15 120.5(3) . 3_656 ?
C8 C5 H5 119.8 . . ?
C15 C5 H5 119.8 3_656 . ?
O3 C6 N1 121.0(2) . . ?
O3 C6 C7 122.3(3) . . ?
N1 C6 C7 116.7(3) . . ?
C15 C7 C9 120.0(3) . . ?
C15 C7 C6 120.0(3) . . ?
C9 C7 C6 120.0(3) . . ?
C5 C8 C9 120.4(3) . . ?
C5 C8 C4 119.9(3) . . ?
C9 C8 C4 119.6(3) . . ?
C8 C9 C7 121.4(2) . . ?
C8 C9 C9 119.5(3) . 3_656 ?
C7 C9 C9 119.1(3) . 3_656 ?
C3 C10 C12 119.7(3) . . ?
C3 C10 H10 120.2 . . ?
C12 C10 H10 120.2 . . ?
C13 C11 C14 119.5(3) . . ?
C13 C11 H11 120.3 . . ?
C14 C11 H11 120.3 . . ?
C13 C12 C10 118.6(3) . . ?
C13 C12 H12 120.7 . . ?
C10 C12 H12 120.7 . . ?
C12 C13 C11 121.9(3) . . ?
C12 C13 N1 120.1(2) . . ?
C11 C13 N1 118.0(2) . . ?
C3 C14 C11 119.1(3) . . ?
C3 C14 H14 120.4 . . ?
C11 C14 H14 120.4 . . ?
C7 C15 C5 120.4(3) . 3_656 ?
C7 C15 H15 119.8 . . ?
C5 C15 H15 119.8 3_656 . ?

loop_
 _geom_torsion_atom_site_label_1
 _geom_torsion_atom_site_label_2
 _geom_torsion_atom_site_label_3
 _geom_torsion_atom_site_label_4
 _geom_torsion
 _geom_torsion_site_symmetry_1
 _geom_torsion_site_symmetry_2
 _geom_torsion_site_symmetry_3
 _geom_torsion_site_symmetry_4
 _geom_torsion_publ_flag
O4 S1 O1 Na1 -1.40(16) . . . . ?
O5 S1 O1 Na1 125.22(13) . . . . ?
C3 S1 O1 Na1 -116.54(13) . . . . ?
Na1 S1 O1 Na1 49.87(17) 2_556 . . . ?
O1 S1 O4 Na1 -67.7(4) . . . 4 ?
O5 S1 O4 Na1 164.5(3) . . . 4 ?
C3 S1 O4 Na1 48.0(4) . . . 4 ?
Na1 S1 O4 Na1 158.4(4) 2_556 . . 4 ?
Na1 S1 O4 Na1 -68.7(3) . . . 4 ?
O1 S1 O4 Na1 133.90(11) . . . 2_556 ?
O5 S1 O4 Na1 6.12(14) . . . 2_556 ?
C3 S1 O4 Na1 -110.36(12) . . . 2_556 ?
Na1 S1 O4 Na1 132.94(9) . . . 2_556 ?
O4 S1 O5 Na1 90.02(16) . . . 3_557 ?
O1 S1 O5 Na1 -36.69(18) . . . 3_557 ?
C3 S1 O5 Na1 -154.53(14) . . . 3_557 ?
Na1 S1 O5 Na1 95.12(13) 2_556 . . 3_557 ?
Na1 S1 O5 Na1 7.2(2) . . . 3_557 ?
O4 S1 O5 Na1 -5.10(12) . . . 2_556 ?
O1 S1 O5 Na1 -131.82(10) . . . 2_556 ?
C3 S1 O5 Na1 110.34(11) . . . 2_556 ?
Na1 S1 O5 Na1 -87.88(10) . . . 2_556 ?
O4 S1 C3 C14 -82.9(3) . . . . ?
O1 S1 C3 C14 36.0(3) . . . . ?
O5 S1 C3 C14 158.1(2) . . . . ?
Na1 S1 C3 C14 -133.7(2) 2_556 . . . ?
Na1 S1 C3 C14 -6.0(3) . . . . ?
O4 S1 C3 C10 92.7(2) . . . . ?
O1 S1 C3 C10 -148.4(2) . . . . ?
O5 S1 C3 C10 -26.3(3) . . . . ?
Na1 S1 C3 C10 41.9(3) 2_556 . . . ?
Na1 S1 C3 C10 169.65(19) . . . . ?
C6 N1 C4 O2 -176.3(3) . . . . ?
C13 N1 C4 O2 3.2(4) . . . . ?
C6 N1 C4 C8 5.5(4) . . . . ?
C13 N1 C4 C8 -175.0(2) . . . . ?
C4 N1 C6 O3 176.8(3) . . . . ?
C13 N1 C6 O3 -2.6(4) . . . . ?
C4 N1 C6 C7 -4.9(4) . . . . ?
C13 N1 C6 C7 175.7(2) . . . . ?
O3 C6 C7 C15 1.1(4) . . . . ?
N1 C6 C7 C15 -177.2(3) . . . . ?
O3 C6 C7 C9 179.3(3) . . . . ?
N1 C6 C7 C9 1.1(4) . . . . ?
C15 C5 C8 C9 0.1(4) 3_656 . . . ?
C15 C5 C8 C4 -179.0(3) 3_656 . . . ?
O2 C4 C8 C5 -1.3(4) . . . . ?
N1 C4 C8 C5 176.9(3) . . . . ?
O2 C4 C8 C9 179.5(3) . . . . ?
N1 C4 C8 C9 -2.3(4) . . . . ?
C5 C8 C9 C7 179.7(3) . . . . ?
C4 C8 C9 C7 -1.1(4) . . . . ?
C5 C8 C9 C9 0.2(5) . . . 3_656 ?
C4 C8 C9 C9 179.3(3) . . . 3_656 ?
C15 C7 C9 C8 180.0(3) . . . . ?
C6 C7 C9 C8 1.8(4) . . . . ?
C15 C7 C9 C9 -0.4(5) . . . 3_656 ?
C6 C7 C9 C9 -178.7(3) . . . 3_656 ?
C14 C3 C10 C12 1.2(4) . . . . ?
S1 C3 C10 C12 -174.3(2) . . . . ?
C3 C10 C12 C13 -0.1(4) . . . . ?
C10 C12 C13 C11 -0.7(4) . . . . ?
C10 C12 C13 N1 177.7(3) . . . . ?
C14 C11 C13 C12 0.6(5) . . . . ?
C14 C11 C13 N1 -177.9(3) . . . . ?
C6 N1 C13 C12 90.4(3) . . . . ?
C4 N1 C13 C12 -89.1(3) . . . . ?
C6 N1 C13 C11 -91.1(3) . . . . ?
C4 N1 C13 C11 89.4(3) . . . . ?
C10 C3 C14 C11 -1.3(4) . . . . ?
S1 C3 C14 C11 174.2(2) . . . . ?
C13 C11 C14 C3 0.4(5) . . . . ?
C9 C7 C15 C5 0.2(4) . . . 3_656 ?
C6 C7 C15 C5 178.4(2) . . . 3_656 ?

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.





#==============================================================================
#     End of CIF
#==============================================================================
