##############################################################################
#                                                                            #
# This CIF contains the data for a data article accepted for                 #
# publication in IUCrData. It conforms to the requirements of                #
# Notes for Authors for IUCrData, and has been                               #
# peer reviewed under the auspices of IUCrData.                              #
#                                                                            #
# 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.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the data    # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_I
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_journal_date_recd_electronic     2021-08-25
_journal_date_accepted     2021-09-21
_journal_name_full     'IUCrData'
_journal_year     2021
_journal_volume     6
_journal_issue      9
_journal_page_first     0
_journal_page_last     0
_journal_paper_category     HM
_journal_paper_doi     10.1107/S2414314621009822
_journal_coeditor_code     IM4013
_publ_contact_author_name     'Lamine Yaffa'
_publ_contact_author_address
;
Laboratoire de chimie minérale et analytique (LACHIMIA), Département de
chimie,
Faculté des sciences et techniques, Université Cheikh Anta Diop, Dakar,
Sénégal
;
_publ_contact_author_email     'lamine.yaffa@ucad.edu.sn'
_publ_contact_author_fax     '+221338246318'
_publ_contact_author_phone     '+221775495803'
_publ_section_title
;\
Tetraammonium
μ-ethylenediaminetetraacetato-1κ³O,N,O':\
2κ³O'',N',O'''-bis[trioxidotungstate(VI)]
tetrahydrate
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Yaffa, Lamine' .
;
Laboratoire de Chimie Minérale et Analytique (LACHIMIA),
Département de Chimie,
Faculté des Sciences et Techniques, Université Cheikh Anta Diop, Dakar,
Senegal
;
    'Pouye, Sérigne Fallou' .
;
Laboratoire de Chimie Minérale et Analytique (LACHIMIA),
Département de Chimie,
Faculté des Sciences et Techniques, Université Cheikh Anta Diop, Dakar,
Senegal
;
    'Ndoye, Daouda' .
;
Laboratoire de Chimie Minérale et Analytique (LACHIMIA),
Département de Chimie,
Faculté des Sciences et Techniques, Université Cheikh Anta Diop, Dakar,
Senegal
;
    'Diallo, Waly' .
;
Laboratoire de Chimie Minérale et Analytique (LACHIMIA),
Département de Chimie,
Faculté des Sciences et Techniques, Université Cheikh Anta Diop, Dakar,
Senegal
;
    'Diop, Mayoro' .
;
Laboratoire de Chimie Minérale et Analytique (LACHIMIA),
Département de Chimie,
Faculté des Sciences et Techniques, Université Cheikh Anta Diop, Dakar,
Senegal
;
    'Sidibe, Mamadou' .
;
Laboratoire de Chimie Minérale et Analytique (LACHIMIA),
Département de Chimie,
Faculté des Sciences et Techniques, Université Cheikh Anta Diop, Dakar,
Senegal
;
    'Diop, Cheikh Abdoul Khadir' .
;
Laboratoire de Chimie Minérale et Analytique (LACHIMIA),
Département de Chimie,
Faculté des Sciences et Techniques, Université Cheikh Anta Diop, Dakar,
Senegal
;
_publ_section_synopsis
;
The title compound, (NH₄)₄[W₂(C₁₀H₁₂N₂O₈)O₆]\\cdot4H₂O, is a
binuclear complex of tungsten with the edta⁴⁻ ligand bridging two WO₃
units, leading to a distorted octahedral coordination environment for the
tungsten atoms. The supramolecular crystal structure is built up by the anion,
four ammonium cations and four solvent water molecules and is established
via hydrogen bonds of the N---H...O and O---H...O type.
;
_chemical_name_systematic
;\
Tetraammonium μ-ethylenediaminetetraacetato-\
1κ³O,N,O':2κ³O'',N',O'''-\
bis[trioxidotungstate(VI)] tetrahydrate
;
_chemical_name_common     ?
_chemical_formula_moiety     '4(H4 N +), C10 H12 N2 O14 W2 4-, 4(H2 O)'
_chemical_formula_sum     'C10 H36 N6 O18 W2'
_chemical_formula_iupac     '(N H4)4 [W2 (C10 H12 N2 O8) O6], 4H2 O'
_chemical_formula_weight     896.15
_chemical_melting_point     ?
_space_group_crystal_system     monoclinic
_space_group_name_H-M_alt     'P 1 21/c 1'
_space_group_name_Hall     '-P 2ybc'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     6.8017(5)
_cell_length_b     7.7194(5)
_cell_length_c     23.9807(19)
_cell_angle_alpha     90
_cell_angle_beta     95.345(3)
_cell_angle_gamma     90
_cell_volume     1253.63(16)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     9817
_cell_measurement_theta_min     2.77
_cell_measurement_theta_max     27.55
_cell_measurement_temperature     150.0
_exptl_crystal_description     block
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.184
_exptl_crystal_size_mid     0.175
_exptl_crystal_size_min     0.138
_exptl_crystal_density_diffrn     2.374
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     860
loop_
    _exptl_crystal_face_index_h
    _exptl_crystal_face_index_k
    _exptl_crystal_face_index_l
    _exptl_crystal_face_perp_dist
    1.00 -1.00 1.00 0.0840
    0.00 -1.00 -1.00 0.1050
    0.00 0.00 -1.00 0.0690
    0.00 0.00 1.00 0.0080
    0.00 -1.00 1.00 0.0890
    0.00 -1.00 0.00 0.0920
    0.00 1.00 0.00 0.0130
    -1.00 1.00 1.00 0.0330
    1.00 0.00 1.00 0.0730
    -1.00 0.00 -1.00 0.0620
_exptl_absorpt_coefficient_mu     9.259
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2016)
;
_exptl_absorpt_correction_T_min     0.4438
_exptl_absorpt_correction_T_max     0.7456
_diffrn_ambient_temperature     150.0
_diffrn_source     ?
_diffrn_source_power     0.07
_diffrn_source_voltage     50.0
_diffrn_source_current     1.4
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_measurement_device_type     'Bruker APEXII CCD'
_diffrn_measurement_method     'φ and ω scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     55419
_diffrn_reflns_av_R_equivalents     0.0533
_diffrn_reflns_av_unetI/netI     0.0168
_diffrn_reflns_theta_min     2.773
_diffrn_reflns_theta_max     27.598
_diffrn_reflns_theta_full     25.242
_diffrn_measured_fraction_theta_max     0.996
_diffrn_measured_fraction_theta_full     1.000
_diffrn_reflns_limit_h_min     -8
_diffrn_reflns_limit_h_max     8
_diffrn_reflns_limit_k_min     -10
_diffrn_reflns_limit_k_max     10
_diffrn_reflns_limit_l_min     -31
_diffrn_reflns_limit_l_max     31
_diffrn_standards_number     0
_refine_special_details
;
All non-hydrogen atoms were refined anisotropically. Hydrogen
atoms bonded to carbon and oxygen were placed in idealized positions and
refined using a riding model with isotropic displacement parameters
calculated as Uiso(H) = 1.2Ueq(C) for ethylene and
methylene hydrogen atoms and Uiso(H) = 1.5Ueq(O) for solvent
water molecules. Hydrogen atoms of the ammonium cations were located
in the difference-Fourier map and refined isotropically.
;
_reflns_number_total     2890
_reflns_number_gt     2703
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0159
_refine_ls_R_factor_gt     0.0139
_refine_ls_wR_factor_gt     0.0333
_refine_ls_wR_factor_ref     0.0342
_refine_ls_goodness_of_fit_ref     1.069
_refine_ls_restrained_S_all     1.069
_refine_ls_number_reflns     2890
_refine_ls_number_parameters     201
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'w=1/[σ²(Fo²)+(0.0138P)²+1.4846P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.002
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.710
_refine_diff_density_min     -0.847
_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' 0.0033 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'
    'W' 'W' -0.8490 6.8722
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
APEX2 (Bruker, 2016)
;
_computing_cell_refinement
;
SAINT (Bruker, 2016)
;
_computing_data_reduction
;
SAINT (Bruker, 2016)
;
_computing_structure_solution
;
SHELXS  (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXL2014/6 (Sheldrick, 2015)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov et al.,  2009)
;
_computing_publication_material
;
OLEX2 (Dolomanov et al.,  2009)
;
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_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    W W1 0.40177(2) 0.69956(2) 0.10889(2) 0.01546(4) Uani d 1 . .
    O O6 0.4717(3) 0.7513(3) 0.04235(8) 0.0290(4) Uani d 1 . .
    O O3 0.5793(3) 0.7989(2) 0.15614(9) 0.0270(4) Uani d 1 . .
    O O9 0.2095(3) 0.6721(2) 0.17381(8) 0.0237(4) Uani d 1 . .
    N N4 0.0791(3) 0.6278(2) 0.06743(8) 0.0143(4) Uani d 1 . .
    O O8 0.4519(3) 0.4764(2) 0.11461(8) 0.0276(4) Uani d 1 . .
    O O5 -0.0230(3) 0.5116(3) 0.20717(8) 0.0351(5) Uani d 1 . .
    C C7 -0.0056(4) 0.5133(3) 0.10897(10) 0.0192(5) Uani d 1 . .
    H H7A 0.0366 0.3924 0.1033 0.023 Uiso calc 1 . .
    H H7B -0.1515 0.5173 0.1031 0.023 Uiso calc 1 . .
    C C11 0.0609(4) 0.5690(3) 0.16809(11) 0.0200(5) Uani d 1 . .
    C C12 0.0980(4) 0.5353(3) 0.01373(11) 0.0190(5) Uani d 1 . .
    H H12A 0.1915 0.4378 0.0208 0.023 Uiso calc 1 . .
    H H12B 0.1546 0.6157 -0.0127 0.023 Uiso calc 1 . .
    O O7 -0.0275(3) 1.0904(2) 0.07169(9) 0.0280(4) Uani d 1 . .
    O O4 0.2366(3) 0.9388(2) 0.10315(9) 0.0253(4) Uani d 1 . .
    C C1 0.0597(4) 0.9519(3) 0.07921(11) 0.0183(5) Uani d 1 . .
    C C8 -0.0402(4) 0.7886(3) 0.05795(12) 0.0219(5) Uani d 1 . .
    H H8A -0.1639 0.7748 0.0762 0.026 Uiso calc 1 . .
    H H8B -0.0769 0.8012 0.0172 0.026 Uiso calc 1 . .
    N N10 0.4415(4) 0.8304(3) -0.06894(11) 0.0225(5) Uani d 1 . .
    O O2 0.7912(3) 1.0837(3) 0.19478(9) 0.0357(5) Uani d 1 . .
    H H2A 0.7148 0.9966 0.1847 0.054 Uiso d 1 . .
    H H2B 0.8584 1.0492 0.2254 0.054 Uiso d 1 . .
    O O1 0.2481(3) 1.1729(3) 0.19796(10) 0.0367(5) Uani d 1 . .
    H H1A 0.2243 1.1196 0.1661 0.055 Uiso d 1 . .
    H H1B 0.1322 1.2036 0.2070 0.055 Uiso d 1 . .
    N N11 0.5898(4) 0.3808(4) 0.23069(12) 0.0262(5) Uani d 1 . .
    H H10A 0.456(5) 0.808(4) -0.0300(16) 0.032(9) Uiso d 1 . .
    H H10B 0.521(5) 0.904(5) -0.0757(14) 0.034(9) Uiso d 1 . .
    H H10C 0.316(6) 0.864(5) -0.0785(16) 0.045(10) Uiso d 1 . .
    H H10D 0.471(6) 0.735(5) -0.0853(17) 0.046(11) Uiso d 1 . .
    H H11A 0.515(6) 0.409(6) 0.2004(19) 0.060(13) Uiso d 1 . .
    H H11B 0.517(7) 0.355(6) 0.256(2) 0.069(14) Uiso d 1 . .
    H H11C 0.662(6) 0.466(6) 0.2389(17) 0.054(12) Uiso d 1 . .
    H H11D 0.663(6) 0.288(5) 0.2208(17) 0.047(11) Uiso d 1 . .
_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_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    W1 O6 . 1.7529(19) ?
    W1 O3 . 1.7534(19) ?
    W1 O9 . 2.1350(19) ?
    W1 N4 . 2.3884(19) ?
    W1 O8 . 1.7590(19) ?
    W1 O4 . 2.1590(17) ?
    O9 C11 . 1.284(3) ?
    N4 C7 . 1.487(3) ?
    N4 C12 . 1.488(3) ?
    N4 C8 . 1.489(3) ?
    O5 C11 . 1.225(3) ?
    C7 H7A . 0.9900 ?
    C7 H7B . 0.9900 ?
    C7 C11 . 1.510(4) ?
    C12 C12 3_565 1.531(5) ?
    C12 H12A . 0.9900 ?
    C12 H12B . 0.9900 ?
    O7 C1 . 1.228(3) ?
    O4 C1 . 1.288(3) ?
    C1 C8 . 1.499(3) ?
    C8 H8A . 0.9900 ?
    C8 H8B . 0.9900 ?
    N10 H10A . 0.95(4) ?
    N10 H10B . 0.81(4) ?
    N10 H10C . 0.90(4) ?
    N10 H10D . 0.87(4) ?
    O2 H2A . 0.8701 ?
    O2 H2B . 0.8698 ?
    O1 H1A . 0.8701 ?
    O1 H1B . 0.8698 ?
    N11 H11A . 0.87(5) ?
    N11 H11B . 0.84(5) ?
    N11 H11C . 0.83(4) ?
    N11 H11D . 0.92(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
    _geom_angle_publ_flag
    O6 W1 O3 . . 105.05(9) ?
    O6 W1 O9 . . 157.36(9) ?
    O6 W1 N4 . . 89.46(8) ?
    O6 W1 O8 . . 103.12(10) ?
    O6 W1 O4 . . 86.03(9) ?
    O3 W1 O9 . . 90.22(8) ?
    O3 W1 N4 . . 157.08(8) ?
    O3 W1 O8 . . 105.14(9) ?
    O3 W1 O4 . . 89.42(8) ?
    O9 W1 N4 . . 71.28(7) ?
    O9 W1 O4 . . 77.36(8) ?
    O8 W1 O9 . . 88.46(8) ?
    O8 W1 N4 . . 88.23(8) ?
    O8 W1 O4 . . 159.79(8) ?
    O4 W1 N4 . . 73.71(7) ?
    C11 O9 W1 . . 120.89(17) ?
    C7 N4 W1 . . 104.91(14) ?
    C7 N4 C12 . . 111.36(19) ?
    C7 N4 C8 . . 110.97(19) ?
    C12 N4 W1 . . 108.76(14) ?
    C12 N4 C8 . . 110.94(19) ?
    C8 N4 W1 . . 109.70(14) ?
    N4 C7 H7A . . 109.4 ?
    N4 C7 H7B . . 109.4 ?
    N4 C7 C11 . . 111.03(19) ?
    H7A C7 H7B . . 108.0 ?
    C11 C7 H7A . . 109.4 ?
    C11 C7 H7B . . 109.4 ?
    O9 C11 C7 . . 116.1(2) ?
    O5 C11 O9 . . 124.1(3) ?
    O5 C11 C7 . . 119.7(2) ?
    N4 C12 C12 . 3_565 113.7(3) ?
    N4 C12 H12A . . 108.8 ?
    N4 C12 H12B . . 108.8 ?
    C12 C12 H12A 3_565 . 108.8 ?
    C12 C12 H12B 3_565 . 108.8 ?
    H12A C12 H12B . . 107.7 ?
    C1 O4 W1 . . 123.67(15) ?
    O7 C1 O4 . . 123.5(2) ?
    O7 C1 C8 . . 119.0(2) ?
    O4 C1 C8 . . 117.4(2) ?
    N4 C8 C1 . . 115.2(2) ?
    N4 C8 H8A . . 108.5 ?
    N4 C8 H8B . . 108.5 ?
    C1 C8 H8A . . 108.5 ?
    C1 C8 H8B . . 108.5 ?
    H8A C8 H8B . . 107.5 ?
    H10A N10 H10B . . 108(3) ?
    H10A N10 H10C . . 108(3) ?
    H10A N10 H10D . . 106(3) ?
    H10B N10 H10C . . 112(3) ?
    H10B N10 H10D . . 108(4) ?
    H10C N10 H10D . . 113(4) ?
    H2A O2 H2B . . 104.5 ?
    H1A O1 H1B . . 104.5 ?
    H11A N11 H11B . . 109(4) ?
    H11A N11 H11C . . 106(4) ?
    H11A N11 H11D . . 106(4) ?
    H11B N11 H11C . . 113(4) ?
    H11B N11 H11D . . 112(4) ?
    H11C N11 H11D . . 111(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_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    W1 O9 C11 O5 . . . . 159.8(2) ?
    W1 O9 C11 C7 . . . . -18.0(3) ?
    W1 N4 C7 C11 . . . . 35.7(2) ?
    W1 N4 C12 C12 . . . 3_565 173.6(2) ?
    W1 N4 C8 C1 . . . . -3.8(3) ?
    W1 O4 C1 O7 . . . . -173.4(2) ?
    W1 O4 C1 C8 . . . . 4.4(3) ?
    N4 C7 C11 O9 . . . . -16.0(3) ?
    N4 C7 C11 O5 . . . . 166.0(2) ?
    C7 N4 C12 C12 . . . 3_565 58.5(3) ?
    C7 N4 C8 C1 . . . . 111.6(2) ?
    C12 N4 C7 C11 . . . . 153.2(2) ?
    C12 N4 C8 C1 . . . . -124.0(2) ?
    O7 C1 C8 N4 . . . . 178.2(2) ?
    O4 C1 C8 N4 . . . . 0.2(4) ?
    C8 N4 C7 C11 . . . . -82.7(2) ?
    C8 N4 C12 C12 . . . 3_565 -65.6(3) ?
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
    _geom_hbond_publ_flag
    C7 H7A O7 1_545 0.99 2.48 3.384(3) 152.2 n
    C12 H12B O7 3_575 0.99 2.77 3.548(3) 136.0 n
    C8 H8A O6 1_455 0.99 2.54 3.319(3) 135.2 n
    C8 H8B O7 3_575 0.99 2.46 3.319(4) 145.4 n
    O2 H2A O3 . 0.87 1.88 2.743(3) 171.4 yes
    O2 H2B O5 2_655 0.87 1.90 2.763(3) 170.4 yes
    O1 H1A O7 . 0.87 2.72 3.468(3) 145.3 yes
    O1 H1A O4 . 0.87 2.06 2.900(3) 161.0 yes
    O1 H1B O2 1_455 0.87 2.49 3.177(3) 136.5 yes
    N10 H10A O6 . 0.95(4) 1.78(4) 2.727(3) 175(3) yes
    N10 H10B O4 3_675 0.81(4) 2.20(4) 2.996(3) 168(3) yes
    N10 H10C O7 3_575 0.90(4) 2.01(4) 2.876(3) 160(3) yes
    N10 H10D O8 3_665 0.87(4) 1.87(4) 2.736(3) 175(4) yes
    N11 H11A O8 . 0.87(5) 2.13(5) 2.947(3) 156(4) yes
    N11 H11B O3 2_645 0.84(5) 2.31(5) 3.109(3) 160(4) yes
    N11 H11C O1 2_645 0.83(4) 2.25(4) 2.979(4) 147(4) yes
    N11 H11D O2 1_545 0.92(4) 1.93(4) 2.846(4) 173(4) yes
_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     0.281
_shelx_estimated_absorpt_T_max     0.361
_shelxl_version_number     2014/6
