#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/52/2235265.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2235265
loop_
_publ_author_name
'Zhang, Mei'
'Sun, Fu-Yu'
'Zhao, Gui-Zhe'
'Liu, Ya-Qing'
_publ_section_title
;
 Di-μ-aqua-bis{diaqua[μ-4-({4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl}amino)benzenesulfonato]sodium(I)}
;
_journal_coeditor_code           TK5096
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m847
_journal_page_last               m848
_journal_paper_doi               10.1107/S1600536812023732
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Na2 (C13 H15 Cl N5 O5 S)2 (H2 O)6]'
_chemical_formula_moiety         'C26 H42 Cl2 N10 Na2 O16 S2'
_chemical_formula_sum            'C26 H42 Cl2 N10 Na2 O16 S2'
_chemical_formula_weight         931.72
_chemical_name_systematic
;
Di-μ-aqua-bis{diaqua[μ-4-({4-[bis(2-hydroxyethyl)amino]-6-
chloro-1,3,5-triazin-2-yl}amino)benzenesulfonato]sodium(I)}
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                97.348(2)
_cell_angle_beta                 93.363(4)
_cell_angle_gamma                102.410(7)
_cell_formula_units_Z            1
_cell_length_a                   7.5628(7)
_cell_length_b                   8.6274(8)
_cell_length_c                   15.532(2)
_cell_measurement_reflns_used    3065
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      26.1
_cell_measurement_theta_min      2.4
_cell_volume                     977.72(18)
_computing_cell_refinement
;
CrystalClear (Molecular Structure Corporation & Rigaku, 2005)
;
_computing_data_collection
;
CrystalClear (Molecular Structure Corporation & Rigaku, 2005)
;
_computing_data_reduction
;
CrystalClear (Molecular Structure Corporation & Rigaku, 2005)
;
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
;
CrystalClear (Molecular Structure Corporation & Rigaku, 2005)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 14.22
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku Saturn724 CCD'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  multilayer
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1056
_diffrn_reflns_av_sigmaI/netI    0.2058
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            8262
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.44
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.378
_exptl_absorpt_correction_T_max  0.9850
_exptl_absorpt_correction_T_min  0.8336
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrystalClear; Molecular Structure Corporation & Rigaku, 2005)
;
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.582
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             484
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.516
_refine_diff_density_min         -0.516
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.873
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     283
_refine_ls_number_reflns         3418
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      0.871
_refine_ls_R_factor_all          0.0971
_refine_ls_R_factor_gt           0.0620
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0293P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1153
_refine_ls_wR_factor_ref         0.1307
_reflns_number_gt                1459
_reflns_number_total             3418
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            tk5096.cif
_cod_data_source_block           I
_cod_original_cell_volume        977.75(18)
_cod_database_code               2235265
_cod_database_fobs_code          2235265
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_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_symmetry_multiplicity
Na Na1 0.9529(2) 0.8060(2) 0.46061(12) 0.0216(5) Uani d . 1 1
S S1 0.55329(16) 0.91677(15) 0.34804(8) 0.0191(3) Uani d . 1 1
Cl Cl1 1.02875(15) 1.27203(14) -0.25219(8) 0.0221(4) Uani d . 1 1
O O1 0.9492(4) 0.5459(4) -0.0875(2) 0.0213(9) Uani d D 1 1
H H1 0.934(6) 0.443(3) -0.099(3) 0.032 Uiso d D 1 1
O O2 0.4874(4) 0.5163(4) -0.3219(2) 0.0234(9) Uani d D 1 1
H H2 0.504(6) 0.421(3) -0.330(3) 0.035 Uiso d D 1 1
O O3 0.4056(4) 0.7718(3) 0.32366(19) 0.0210(8) Uani d . 1 1
O O4 0.7162(4) 0.8814(4) 0.3889(2) 0.0216(9) Uani d U 1 1
O O5 0.4936(4) 1.0469(4) 0.40039(19) 0.0194(8) Uani d . 1 1
N N1 0.7584(5) 0.7287(4) -0.1875(2) 0.0161(10) Uani d . 1 1
N N2 0.7670(5) 0.9391(4) -0.0807(2) 0.0162(10) Uani d . 1 1
N N3 0.8817(5) 0.9841(4) -0.2196(2) 0.0150(9) Uani d . 1 1
N N4 0.8923(5) 1.2084(4) -0.1092(2) 0.0175(10) Uani d . 1 1
N N5 0.7900(5) 1.1689(5) 0.0233(3) 0.0170(10) Uani d . 1 1
H H5 0.851(5) 1.272(5) 0.029(3) 0.020 Uiso d . 1 1
C C1 0.7906(5) 0.5903(5) -0.0571(3) 0.0195(12) Uani d . 1 1
H H1A 0.8270 0.6892 -0.0142 0.023 Uiso calc R 1 1
H H1B 0.7234 0.5042 -0.0271 0.023 Uiso calc R 1 1
C C2 0.6672(6) 0.6188(5) -0.1302(3) 0.0207(12) Uani d . 1 1
H H2A 0.6108 0.5145 -0.1660 0.025 Uiso calc R 1 1
H H2B 0.5682 0.6632 -0.1048 0.025 Uiso calc R 1 1
C C3 0.8018(6) 0.6556(5) -0.2719(3) 0.0192(12) Uani d . 1 1
H H3A 0.8331 0.5519 -0.2650 0.023 Uiso calc R 1 1
H H3B 0.9100 0.7264 -0.2901 0.023 Uiso calc R 1 1
C C4 0.6466(6) 0.6270(5) -0.3431(3) 0.0227(13) Uani d . 1 1
H H4A 0.6151 0.7303 -0.3507 0.027 Uiso calc R 1 1
H H4B 0.6862 0.5828 -0.3989 0.027 Uiso calc R 1 1
C C5 0.8033(6) 0.8880(6) -0.1625(3) 0.0189(12) Uani d . 1 1
C C6 0.9213(6) 1.1378(5) -0.1863(3) 0.0169(12) Uani d . 1 1
C C7 0.8149(6) 1.0990(6) -0.0576(3) 0.0158(12) Uani d . 1 1
C C8 0.7265(6) 1.0979(5) 0.0957(3) 0.0130(11) Uani d . 1 1
C C9 0.7404(6) 1.2041(5) 0.1720(3) 0.0180(12) Uani d . 1 1
H H9 0.7876 1.3154 0.1720 0.022 Uiso calc R 1 1
C C10 0.6857(6) 1.1488(5) 0.2486(3) 0.0180(12) Uani d . 1 1
H H10 0.6997 1.2221 0.3010 0.022 Uiso calc R 1 1
C C11 0.6109(6) 0.9878(5) 0.2493(3) 0.0149(11) Uani d U 1 1
C C12 0.5925(6) 0.8800(6) 0.1722(3) 0.0203(12) Uani d . 1 1
H H12 0.5421 0.7691 0.1720 0.024 Uiso calc R 1 1
C C13 0.6486(5) 0.9361(5) 0.0955(3) 0.0166(11) Uani d . 1 1
H H13 0.6335 0.8634 0.0428 0.020 Uiso calc R 1 1
O O6 1.1240(4) 1.0471(3) 0.41494(19) 0.0191(8) Uani d . 1 1
H H6A 1.2558 1.0514 0.4142 0.023 Uiso calc R 1 1
H H6B 1.0732 1.0718 0.3594 0.023 Uiso calc R 1 1
O O7 0.8355(4) 0.5359(4) 0.4260(2) 0.0349(11) Uani d D 1 1
H H7A 0.825(6) 0.466(5) 0.462(2) 0.042 Uiso d D 1 1
H H7B 0.747(5) 0.518(5) 0.390(2) 0.042 Uiso d D 1 1
O O8 1.2365(4) 0.7394(4) 0.4857(2) 0.0226(9) Uani d D 1 1
H H8A 1.297(5) 0.813(4) 0.518(2) 0.027 Uiso d D 1 1
H H8B 1.267(5) 0.717(5) 0.4365(17) 0.027 Uiso d D 1 1
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'
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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
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_3
_geom_angle
O7 Na1 O4 . . 95.45(13)
O7 Na1 O6 . 2_776 121.20(14)
O4 Na1 O6 . 2_776 85.08(12)
O7 Na1 O8 . . 86.24(13)
O4 Na1 O8 . . 159.53(15)
O6 Na1 O8 2_776 . 111.51(12)
O7 Na1 O6 . . 146.92(15)
O4 Na1 O6 . . 81.63(11)
O6 Na1 O6 2_776 . 91.52(12)
O8 Na1 O6 . . 85.87(12)
O7 Na1 Cl1 . 2_775 74.72(11)
O4 Na1 Cl1 . 2_775 70.57(9)
O6 Na1 Cl1 2_776 2_775 152.67(10)
O8 Na1 Cl1 . 2_775 90.36(10)
O6 Na1 Cl1 . 2_775 73.26(9)
O7 Na1 Na1 . 2_776 167.15(14)
O4 Na1 Na1 . 2_776 80.42(10)
O6 Na1 Na1 2_776 2_776 46.62(8)
O8 Na1 Na1 . 2_776 101.92(11)
O6 Na1 Na1 . 2_776 44.91(8)
Cl1 Na1 Na1 2_775 2_776 114.70(8)
O7 Na1 H8B . . 82.4(8)
O4 Na1 H8B . . 142.8(7)
O6 Na1 H8B 2_776 . 127.8(6)
O8 Na1 H8B . . 17.3(6)
O6 Na1 H8B . . 80.6(9)
Cl1 Na1 H8B 2_775 . 73.1(6)
Na1 Na1 H8B 2_776 . 108.3(8)
O4 S1 O5 . . 112.25(18)
O4 S1 O3 . . 112.36(19)
O5 S1 O3 . . 112.56(18)
O4 S1 C11 . . 107.4(2)
O5 S1 C11 . . 105.8(2)
O3 S1 C11 . . 105.9(2)
C6 Cl1 Na1 . 2_775 125.53(17)
C1 O1 H1 . . 112(3)
C4 O2 H2 . . 110(3)
S1 O4 Na1 . . 173.9(2)
C5 N1 C3 . . 121.7(4)
C5 N1 C2 . . 121.4(4)
C3 N1 C2 . . 116.9(4)
C7 N2 C5 . . 114.2(4)
C6 N3 C5 . . 112.4(4)
C6 N4 C7 . . 111.9(4)
C7 N5 C8 . . 129.8(4)
C7 N5 H5 . . 106(3)
C8 N5 H5 . . 122(3)
O1 C1 C2 . . 112.1(4)
O1 C1 H1A . . 109.2
C2 C1 H1A . . 109.2
O1 C1 H1B . . 109.2
C2 C1 H1B . . 109.2
H1A C1 H1B . . 107.9
N1 C2 C1 . . 114.4(4)
N1 C2 H2A . . 108.7
C1 C2 H2A . . 108.7
N1 C2 H2B . . 108.7
C1 C2 H2B . . 108.7
H2A C2 H2B . . 107.6
N1 C3 C4 . . 113.2(4)
N1 C3 H3A . . 108.9
C4 C3 H3A . . 108.9
N1 C3 H3B . . 108.9
C4 C3 H3B . . 108.9
H3A C3 H3B . . 107.7
O2 C4 C3 . . 111.2(4)
O2 C4 H4A . . 109.4
C3 C4 H4A . . 109.4
O2 C4 H4B . . 109.4
C3 C4 H4B . . 109.4
H4A C4 H4B . . 108.0
N1 C5 N2 . . 115.8(5)
N1 C5 N3 . . 118.7(5)
N2 C5 N3 . . 125.5(4)
N3 C6 N4 . . 130.0(5)
N3 C6 Cl1 . . 116.6(4)
N4 C6 Cl1 . . 113.4(3)
N2 C7 N5 . . 121.3(5)
N2 C7 N4 . . 125.9(5)
N5 C7 N4 . . 112.8(4)
C9 C8 C13 . . 119.3(4)
C9 C8 N5 . . 114.7(4)
C13 C8 N5 . . 126.0(4)
C8 C9 C10 . . 120.4(4)
C8 C9 H9 . . 119.8
C10 C9 H9 . . 119.8
C11 C10 C9 . . 120.6(4)
C11 C10 H10 . . 119.7
C9 C10 H10 . . 119.7
C10 C11 C12 . . 119.4(4)
C10 C11 S1 . . 120.3(4)
C12 C11 S1 . . 120.2(4)
C13 C12 C11 . . 119.7(4)
C13 C12 H12 . . 120.1
C11 C12 H12 . . 120.1
C8 C13 C12 . . 120.5(4)
C8 C13 H13 . . 119.8
C12 C13 H13 . . 119.8
Na1 O6 Na1 2_776 . 88.48(12)
Na1 O6 H6A 2_776 . 113.9
Na1 O6 H6A . . 113.9
Na1 O6 H6B 2_776 . 113.9
Na1 O6 H6B . . 113.9
H6A O6 H6B . . 111.1
Na1 O7 H7A . . 126(3)
Na1 O7 H7B . . 111(3)
H7A O7 H7B . . 112(3)
Na1 O8 H8A . . 106(3)
Na1 O8 H8B . . 104(3)
H8A O8 H8B . . 120(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Na1 O7 . 2.290(4)
Na1 O4 . 2.306(3)
Na1 O6 2_776 2.346(4)
Na1 O8 . 2.361(4)
Na1 O6 . 2.415(3)
Na1 Cl1 2_775 3.239(2)
Na1 Na1 2_776 3.322(4)
Na1 H8B . 2.68(4)
S1 O4 . 1.461(3)
S1 O5 . 1.467(3)
S1 O3 . 1.478(3)
S1 C11 . 1.766(5)
Cl1 C6 . 1.746(5)
Cl1 Na1 2_775 3.238(2)
O1 C1 . 1.423(5)
O1 H1 . 0.87(2)
O2 C4 . 1.451(5)
O2 H2 . 0.86(3)
N1 C5 . 1.343(5)
N1 C3 . 1.467(5)
N1 C2 . 1.474(5)
N2 C7 . 1.344(5)
N2 C5 . 1.354(6)
N3 C6 . 1.323(5)
N3 C5 . 1.365(6)
N4 C6 . 1.324(5)
N4 C7 . 1.374(5)
N5 C7 . 1.364(6)
N5 C8 . 1.408(5)
N5 H5 . 0.90(4)
C1 C2 . 1.505(5)
C1 H1A . 0.9900
C1 H1B . 0.9900
C2 H2A . 0.9900
C2 H2B . 0.9900
C3 C4 . 1.522(5)
C3 H3A . 0.9900
C3 H3B . 0.9900
C4 H4A . 0.9900
C4 H4B . 0.9900
C8 C9 . 1.386(6)
C8 C13 . 1.393(6)
C9 C10 . 1.391(6)
C9 H9 . 0.9500
C10 C11 . 1.384(6)
C10 H10 . 0.9500
C11 C12 . 1.400(6)
C12 C13 . 1.397(6)
C12 H12 . 0.9500
C13 H13 . 0.9500
O6 Na1 2_776 2.346(4)
O6 H6A . 0.9900
O6 H6B . 0.9900
O7 H7A . 0.87(2)
O7 H7B . 0.82(2)
O8 H8A . 0.80(2)
O8 H8B . 0.82(2)
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 N4 1_545 0.87(2) 1.96(3) 2.823(5) 172(5)
O2 H2 O3 2_665 0.86(3) 1.94(3) 2.772(4) 165(4)
O6 H6A O5 1_655 0.99 1.83 2.817(4) 173.5
O6 H6B N3 2_775 0.99 2.23 3.009(5) 135.0
O7 H7A O8 2_766 0.87(2) 2.02(3) 2.861(5) 164(4)
O7 H7B O2 2_665 0.82(2) 1.95(2) 2.767(4) 169(5)
O8 H8A O5 2_776 0.80(2) 2.03(3) 2.797(4) 162(4)
O8 H8B O3 1_655 0.82(2) 2.15(3) 2.907(5) 154(4)
N5 H5 O1 2_775 0.90(4) 2.01(4) 2.828(5) 151(4)
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
O5 S1 O4 Na1 . . 90(2)
O3 S1 O4 Na1 . . -38(2)
C11 S1 O4 Na1 . . -154(2)
O7 Na1 O4 S1 . . 48(2)
O6 Na1 O4 S1 2_776 . -73(2)
O8 Na1 O4 S1 . . 141.4(19)
O6 Na1 O4 S1 . . -166(2)
Cl1 Na1 O4 S1 2_775 . 119(2)
Na1 Na1 O4 S1 2_776 . -120(2)
C5 N1 C2 C1 . . -76.6(5)
C3 N1 C2 C1 . . 101.9(4)
O1 C1 C2 N1 . . -50.9(5)
C5 N1 C3 C4 . . -94.4(5)
C2 N1 C3 C4 . . 87.0(5)
N1 C3 C4 O2 . . -61.9(5)
C3 N1 C5 N2 . . -175.5(4)
C2 N1 C5 N2 . . 2.9(6)
C3 N1 C5 N3 . . 3.9(6)
C2 N1 C5 N3 . . -177.7(3)
C7 N2 C5 N1 . . 179.5(4)
C7 N2 C5 N3 . . 0.1(7)
C6 N3 C5 N1 . . -179.1(4)
C6 N3 C5 N2 . . 0.3(7)
C5 N3 C6 N4 . . -1.8(7)
C5 N3 C6 Cl1 . . 178.1(3)
C7 N4 C6 N3 . . 2.6(7)
C7 N4 C6 Cl1 . . -177.4(3)
Na1 Cl1 C6 N3 2_775 . 16.5(4)
Na1 Cl1 C6 N4 2_775 . -163.6(2)
C5 N2 C7 N5 . . -178.9(4)
C5 N2 C7 N4 . . 0.8(6)
C8 N5 C7 N2 . . 4.3(7)
C8 N5 C7 N4 . . -175.4(4)
C6 N4 C7 N2 . . -1.9(6)
C6 N4 C7 N5 . . 177.8(4)
C7 N5 C8 C9 . . 171.8(4)
C7 N5 C8 C13 . . -10.3(7)
C13 C8 C9 C10 . . 3.2(7)
N5 C8 C9 C10 . . -178.8(4)
C8 C9 C10 C11 . . -2.2(7)
C9 C10 C11 C12 . . 0.7(6)
C9 C10 C11 S1 . . 176.5(3)
O4 S1 C11 C10 . . -86.3(4)
O5 S1 C11 C10 . . 33.7(4)
O3 S1 C11 C10 . . 153.4(3)
O4 S1 C11 C12 . . 89.4(4)
O5 S1 C11 C12 . . -150.5(4)
O3 S1 C11 C12 . . -30.8(4)
C10 C11 C12 C13 . . -0.4(7)
S1 C11 C12 C13 . . -176.2(3)
C9 C8 C13 C12 . . -2.9(6)
N5 C8 C13 C12 . . 179.3(4)
C11 C12 C13 C8 . . 1.5(7)
O7 Na1 O6 Na1 . 2_776 171.9(2)
O4 Na1 O6 Na1 . 2_776 84.80(11)
O6 Na1 O6 Na1 2_776 2_776 0.0
O8 Na1 O6 Na1 . 2_776 -111.45(12)
Cl1 Na1 O6 Na1 2_775 2_776 156.93(10)
