##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# 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 2.4.    #
#                                                                            #
# 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/  #
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data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Poly[aqua(dimethyl sulfoxide)(μ₄-pyridine-2,5-dicarboxylato)calcium(II)]
;
_chemical_name_common     ?
_chemical_formula_moiety     'C9 H11 Ca N O6 S'
_chemical_formula_sum     'C9 H11 Ca N O6 S'
_chemical_formula_iupac     '[Ca (C7 H3 N O4) (C2 H6 O S) (H2 O)]'
_chemical_formula_weight     301.34
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/c'
_symmetry_space_group_name_Hall     '-P 2ybc'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     10.449(2)
_cell_length_b     11.450(2)
_cell_length_c     10.325(2)
_cell_angle_alpha     90.00
_cell_angle_beta     95.93(3)
_cell_angle_gamma     90.00
_cell_volume     1228.7(4)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     3302
_cell_measurement_theta_min     2.65
_cell_measurement_theta_max     29.13
_cell_measurement_temperature     298(2)
_exptl_crystal_description     block
_exptl_crystal_colour     colorless
_exptl_crystal_size_max     0.27
_exptl_crystal_size_mid     0.15
_exptl_crystal_size_min     0.15
_exptl_crystal_density_diffrn     1.629
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     624.0
_exptl_absorpt_coefficient_mu     0.699
_exptl_absorpt_correction_type     none
_exptl_absorpt_process_details     ?
_exptl_absorpt_correction_T_min     ?
_exptl_absorpt_correction_T_max     ?
_exptl_special_details
;
;
_diffrn_ambient_temperature     298(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Stoe IPDS II'
_diffrn_measurement_method     'rotation method'
_diffrn_detector_area_resol_mean     '0.15 mm'
_diffrn_reflns_number     8616
_diffrn_reflns_av_R_equivalents     0.0405
_diffrn_reflns_av_sigmaI/netI     0.0344
_diffrn_reflns_theta_min     2.65
_diffrn_reflns_theta_max     29.13
_diffrn_reflns_theta_full     29.13
_diffrn_measured_fraction_theta_max     0.997
_diffrn_measured_fraction_theta_full     0.997
_diffrn_reflns_limit_h_min     -14
_diffrn_reflns_limit_h_max     13
_diffrn_reflns_limit_k_min     -13
_diffrn_reflns_limit_k_max     15
_diffrn_reflns_limit_l_min     -14
_diffrn_reflns_limit_l_max     14
_diffrn_standards_number     ?
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_refine_special_details
;
Refinement of F² against ALL reflections. The weighted R-factor
wR and goodness of fit S are based on F², conventional
R-factors R are based on F, with F set to zero for
negative F². The threshold expression of F² >
σ(F²) is used only for calculating R-factors(gt) etc.
and is not relevant to the choice of reflections for refinement.
R-factors based on F² are statistically about twice as large
as those based on F, and R- factors based on ALL data will be
even larger.
;
_reflns_number_total     3302
_reflns_number_gt     2718
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0593
_refine_ls_R_factor_gt     0.0441
_refine_ls_wR_factor_gt     0.0916
_refine_ls_wR_factor_ref     0.0970
_refine_ls_goodness_of_fit_ref     1.107
_refine_ls_restrained_S_all     1.107
_refine_ls_number_reflns     3302
_refine_ls_number_parameters     173
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0423P)²+0.5537P] 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     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.436
_refine_diff_density_min     -0.302
_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'
    'S' 'S' 0.1246 0.1234
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ca' 'Ca' 0.2262 0.3064
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'X-AREA (Stoe & Cie, 2005)'
_computing_cell_refinement     'X-AREA (Stoe & Cie, 2005)'
_computing_data_reduction     'X-AREA (Stoe & Cie, 2005)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material     'WinGX (Farrugia, 1999)'
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_disorder_assembly
    _atom_site_disorder_group
    Ca Ca1 0.67926(4) 1.08747(3) 0.15351(3) 0.01937(10) Uani d . 1 . .
    S S1 1.00299(7) 0.95463(8) 0.23803(8) 0.0533(2) Uani d . 1 . .
    O O5 0.89654(19) 1.04175(19) 0.2093(2) 0.0525(5) Uani d . 1 . .
    C C9 0.9931(4) 0.8533(4) 0.1082(4) 0.0836(13) Uani d . 1 . .
    H H9A 0.9068 0.8237 0.0933 0.125 Uiso calc R 1 . .
    H H9B 1.0515 0.7899 0.1298 0.125 Uiso calc R 1 . .
    H H9C 1.0155 0.8914 0.0308 0.125 Uiso calc R 1 . .
    C C8 0.9511(5) 0.8595(5) 0.3569(5) 0.114(2) Uani d . 1 . .
    H H8A 0.9386 0.9031 0.4340 0.171 Uiso calc R 1 . .
    H H8B 1.0151 0.8003 0.3777 0.171 Uiso calc R 1 . .
    H H8C 0.8715 0.8234 0.3237 0.171 Uiso calc R 1 . .
    N N1 0.63254(17) 0.97721(13) 0.36682(15) 0.0212(3) Uani d . 1 . .
    C C5 0.6057(2) 0.86315(16) 0.37822(17) 0.0207(4) Uani d . 1 . .
    H H5 0.5735 0.8228 0.3037 0.025 Uiso calc R 1 . .
    C C1 0.67172(18) 1.03533(15) 0.47695(17) 0.0176(3) Uani d . 1 . .
    C C3 0.6660(2) 0.86337(17) 0.60687(18) 0.0245(4) Uani d . 1 . .
    H H3 0.6803 0.8252 0.6866 0.029 Uiso calc R 1 . .
    C C2 0.6872(2) 0.98248(17) 0.59788(18) 0.0237(4) Uani d . 1 . .
    H H2 0.7114 1.0262 0.6723 0.028 Uiso calc R 1 . .
    C C4 0.62317(19) 0.80212(15) 0.49489(17) 0.0191(3) Uani d . 1 . .
    C C7 0.59970(19) 0.67151(16) 0.49754(18) 0.0203(4) Uani d . 1 . .
    O O3 0.53823(15) 0.62711(12) 0.39822(14) 0.0265(3) Uani d . 1 . .
    O O4 0.64566(17) 0.61761(13) 0.59638(14) 0.0311(4) Uani d . 1 . .
    O O2 0.72123(17) 1.22148(12) 0.56666(14) 0.0307(3) Uani d . 1 . .
    O O1 0.69341(17) 1.20480(12) 0.34958(13) 0.0307(3) Uani d . 1 . .
    C C6 0.6974(2) 1.16520(15) 0.46351(18) 0.0209(4) Uani d . 1 . .
    O O6 0.7022(2) 1.06481(15) -0.07874(15) 0.0350(4) Uani d . 1 . .
    H H6A 0.685(3) 1.127(3) -0.116(3) 0.055(9) Uiso d . 1 . .
    H H6B 0.643(3) 1.019(3) -0.106(3) 0.043(8) Uiso d . 1 . .
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
    Ca1 0.0298(2) 0.01175(16) 0.01607(16) 0.00106(14) -0.00007(13) 0.00002(13)
    S1 0.0306(3) 0.0622(5) 0.0649(5) 0.0089(3) -0.0054(3) -0.0029(4)
    O5 0.0371(10) 0.0517(12) 0.0662(13) 0.0085(9) -0.0062(9) -0.0013(10)
    C9 0.077(3) 0.074(3) 0.103(3) 0.005(2) 0.025(2) -0.026(2)
    C8 0.109(4) 0.128(4) 0.109(4) 0.062(3) 0.038(3) 0.066(3)
    N1 0.0341(9) 0.0119(7) 0.0173(7) -0.0012(6) 0.0011(6) 0.0000(5)
    C5 0.0321(10) 0.0128(8) 0.0169(8) -0.0009(7) 0.0012(7) -0.0013(6)
    C1 0.0235(9) 0.0118(8) 0.0177(8) 0.0012(6) 0.0026(7) -0.0012(6)
    C3 0.0383(11) 0.0187(9) 0.0159(8) -0.0018(8) 0.0000(8) 0.0034(7)
    C2 0.0371(11) 0.0170(8) 0.0165(8) -0.0043(8) 0.0000(7) -0.0022(7)
    C4 0.0252(9) 0.0122(8) 0.0200(8) 0.0005(7) 0.0034(7) 0.0013(6)
    C7 0.0280(10) 0.0133(8) 0.0200(8) 0.0001(7) 0.0049(7) 0.0014(6)
    O3 0.0342(8) 0.0172(6) 0.0272(7) -0.0041(6) -0.0019(6) -0.0016(5)
    O4 0.0573(10) 0.0150(6) 0.0203(7) 0.0015(6) -0.0002(7) 0.0039(5)
    O2 0.0549(10) 0.0151(6) 0.0212(7) -0.0016(6) 0.0003(6) -0.0042(5)
    O1 0.0598(10) 0.0131(6) 0.0191(6) -0.0043(6) 0.0029(7) 0.0003(5)
    C6 0.0307(10) 0.0116(8) 0.0206(8) 0.0003(7) 0.0031(7) -0.0021(6)
    O6 0.0622(12) 0.0181(7) 0.0253(7) -0.0083(8) 0.0076(7) -0.0010(6)
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s 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
    Ca1 O3 2_655 2.3249(16) .
    Ca1 O5 . 2.343(2) .
    Ca1 O1 . 2.4214(15) .
    Ca1 O2 4_585 2.4215(15) .
    Ca1 O4 4_575 2.4377(15) .
    Ca1 O6 . 2.4484(17) .
    Ca1 N1 . 2.6278(16) .
    Ca1 H6B . 2.78(3) ?
    S1 O5 . 1.501(2) ?
    S1 C8 . 1.768(5) ?
    S1 C9 . 1.768(4) ?
    C9 H9A . 0.9600 ?
    C9 H9B . 0.9600 ?
    C9 H9C . 0.9600 ?
    C8 H8A . 0.9600 ?
    C8 H8B . 0.9600 ?
    C8 H8C . 0.9600 ?
    N1 C5 . 1.344(2) ?
    N1 C1 . 1.344(2) ?
    C5 C4 . 1.388(2) ?
    C5 H5 . 0.9300 ?
    C1 C2 . 1.382(3) ?
    C1 C6 . 1.520(2) ?
    C3 C2 . 1.386(3) ?
    C3 C4 . 1.386(3) ?
    C3 H3 . 0.9300 ?
    C2 H2 . 0.9300 ?
    C4 C7 . 1.516(2) ?
    C7 O4 . 1.246(2) ?
    C7 O3 . 1.260(2) ?
    O3 Ca1 2_645 2.3249(16) ?
    O4 Ca1 4_576 2.4377(15) ?
    O2 C6 . 1.248(2) ?
    O2 Ca1 4_586 2.4215(15) ?
    O1 C6 . 1.257(2) ?
    O6 H6A . 0.82(4) ?
    O6 H6B . 0.84(3) ?
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
    O3 Ca1 O5 2_655 . 178.05(7) ?
    O3 Ca1 O1 2_655 . 93.30(6) ?
    O5 Ca1 O1 . . 86.82(7) ?
    O3 Ca1 O2 2_655 4_585 87.06(6) ?
    O5 Ca1 O2 . 4_585 94.87(7) ?
    O1 Ca1 O2 . 4_585 79.09(5) ?
    O3 Ca1 O4 2_655 4_575 91.12(6) ?
    O5 Ca1 O4 . 4_575 87.47(7) ?
    O1 Ca1 O4 . 4_575 137.02(5) ?
    O2 Ca1 O4 4_585 4_575 143.87(5) ?
    O3 Ca1 O6 2_655 . 89.31(7) ?
    O5 Ca1 O6 . . 91.53(8) ?
    O1 Ca1 O6 . . 150.93(5) ?
    O2 Ca1 O6 4_585 . 72.13(5) ?
    O4 Ca1 O6 4_575 . 71.77(5) ?
    O3 Ca1 N1 2_655 . 91.41(6) ?
    O5 Ca1 N1 . . 86.89(7) ?
    O1 Ca1 N1 . . 64.30(5) ?
    O2 Ca1 N1 4_585 . 143.22(5) ?
    O4 Ca1 N1 4_575 . 72.87(5) ?
    O6 Ca1 N1 . . 144.64(5) ?
    O3 Ca1 H6B 2_655 . 78.5(6) ?
    O5 Ca1 H6B . . 102.0(6) ?
    O1 Ca1 H6B . . 162.4(7) ?
    O2 Ca1 H6B 4_585 . 84.9(7) ?
    O4 Ca1 H6B 4_575 . 59.5(7) ?
    O6 Ca1 H6B . . 17.1(7) ?
    N1 Ca1 H6B . . 130.7(7) ?
    O5 S1 C8 . . 105.83(18) ?
    O5 S1 C9 . . 107.57(19) ?
    C8 S1 C9 . . 97.1(3) ?
    S1 O5 Ca1 . . 151.24(14) ?
    S1 C9 H9A . . 109.5 ?
    S1 C9 H9B . . 109.5 ?
    H9A C9 H9B . . 109.5 ?
    S1 C9 H9C . . 109.5 ?
    H9A C9 H9C . . 109.5 ?
    H9B C9 H9C . . 109.5 ?
    S1 C8 H8A . . 109.5 ?
    S1 C8 H8B . . 109.5 ?
    H8A C8 H8B . . 109.5 ?
    S1 C8 H8C . . 109.5 ?
    H8A C8 H8C . . 109.5 ?
    H8B C8 H8C . . 109.5 ?
    C5 N1 C1 . . 117.08(16) ?
    C5 N1 Ca1 . . 126.80(12) ?
    C1 N1 Ca1 . . 113.85(11) ?
    N1 C5 C4 . . 123.73(17) ?
    N1 C5 H5 . . 118.1 ?
    C4 C5 H5 . . 118.1 ?
    N1 C1 C2 . . 122.99(16) ?
    N1 C1 C6 . . 116.64(16) ?
    C2 C1 C6 . . 120.37(16) ?
    C2 C3 C4 . . 118.80(17) ?
    C2 C3 H3 . . 120.6 ?
    C4 C3 H3 . . 120.6 ?
    C1 C2 C3 . . 119.12(18) ?
    C1 C2 H2 . . 120.4 ?
    C3 C2 H2 . . 120.4 ?
    C3 C4 C5 . . 118.12(17) ?
    C3 C4 C7 . . 121.52(16) ?
    C5 C4 C7 . . 120.34(17) ?
    O4 C7 O3 . . 126.02(18) ?
    O4 C7 C4 . . 117.00(18) ?
    O3 C7 C4 . . 116.95(17) ?
    C7 O3 Ca1 . 2_645 132.07(13) ?
    C7 O4 Ca1 . 4_576 135.17(13) ?
    C6 O2 Ca1 . 4_586 139.02(14) ?
    C6 O1 Ca1 . . 125.13(12) ?
    O2 C6 O1 . . 126.64(17) ?
    O2 C6 C1 . . 116.68(16) ?
    O1 C6 C1 . . 116.68(16) ?
    Ca1 O6 H6A . . 110(2) ?
    Ca1 O6 H6B . . 105(2) ?
    H6A O6 H6B . . 106(3) ?
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
    C8 S1 O5 Ca1 . . . . -51.3(4) ?
    C9 S1 O5 Ca1 . . . . 51.7(3) ?
    O1 Ca1 O5 S1 . . . . 124.5(3) ?
    O2 Ca1 O5 S1 4_585 . . . -156.7(3) ?
    O4 Ca1 O5 S1 4_575 . . . -12.9(3) ?
    O6 Ca1 O5 S1 . . . . -84.5(3) ?
    N1 Ca1 O5 S1 . . . . 60.1(3) ?
    O3 Ca1 N1 C5 2_655 . . . 89.08(17) ?
    O5 Ca1 N1 C5 . . . . -89.97(18) ?
    O1 Ca1 N1 C5 . . . . -177.93(18) ?
    O2 Ca1 N1 C5 4_585 . . . 176.05(15) ?
    O4 Ca1 N1 C5 4_575 . . . -1.66(16) ?
    O6 Ca1 N1 C5 . . . . -1.7(2) ?
    O3 Ca1 N1 C1 2_655 . . . -108.68(14) ?
    O5 Ca1 N1 C1 . . . . 72.27(14) ?
    O1 Ca1 N1 C1 . . . . -15.69(13) ?
    O2 Ca1 N1 C1 4_585 . . . -21.71(19) ?
    O4 Ca1 N1 C1 4_575 . . . 160.58(14) ?
    O6 Ca1 N1 C1 . . . . 160.53(13) ?
    C1 N1 C5 C4 . . . . -3.8(3) ?
    Ca1 N1 C5 C4 . . . . 157.96(15) ?
    C5 N1 C1 C2 . . . . 1.2(3) ?
    Ca1 N1 C1 C2 . . . . -162.86(15) ?
    C5 N1 C1 C6 . . . . -177.95(17) ?
    Ca1 N1 C1 C6 . . . . 18.0(2) ?
    N1 C1 C2 C3 . . . . 2.4(3) ?
    C6 C1 C2 C3 . . . . -178.49(18) ?
    C4 C3 C2 C1 . . . . -3.5(3) ?
    C2 C3 C4 C5 . . . . 1.1(3) ?
    C2 C3 C4 C7 . . . . 179.23(19) ?
    N1 C5 C4 C3 . . . . 2.6(3) ?
    N1 C5 C4 C7 . . . . -175.50(18) ?
    C3 C4 C7 O4 . . . . -14.9(3) ?
    C5 C4 C7 O4 . . . . 163.15(18) ?
    C3 C4 C7 O3 . . . . 166.78(19) ?
    C5 C4 C7 O3 . . . . -15.2(3) ?
    O4 C7 O3 Ca1 . . . 2_645 88.3(2) ?
    C4 C7 O3 Ca1 . . . 2_645 -93.54(19) ?
    O3 C7 O4 Ca1 . . . 4_576 10.8(3) ?
    C4 C7 O4 Ca1 . . . 4_576 -167.38(13) ?
    O3 Ca1 O1 C6 2_655 . . . 103.41(18) ?
    O5 Ca1 O1 C6 . . . . -74.64(18) ?
    O2 Ca1 O1 C6 4_585 . . . -170.23(18) ?
    O4 Ca1 O1 C6 4_575 . . . 8.2(2) ?
    O6 Ca1 O1 C6 . . . . -162.06(16) ?
    N1 Ca1 O1 C6 . . . . 13.44(16) ?
    Ca1 O2 C6 O1 4_586 . . . 37.1(4) ?
    Ca1 O2 C6 C1 4_586 . . . -143.44(16) ?
    Ca1 O1 C6 O2 . . . . 170.04(17) ?
    Ca1 O1 C6 C1 . . . . -9.4(3) ?
    N1 C1 C6 O2 . . . . 173.06(18) ?
    C2 C1 C6 O2 . . . . -6.1(3) ?
    N1 C1 C6 O1 . . . . -7.5(3) ?
    C2 C1 C6 O1 . . . . 173.34(19) ?
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
    O6 H6B O3 4_575 0.84(3) 2.00(3) 2.782(2) 155(3) yes
    O6 H6A O1 4_585 0.82(4) 1.96(4) 2.739(2) 158(3) yes
data_global
_journal_date_recd_electronic     2010-12-19
_journal_date_accepted     2010-12-26
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2011
_journal_volume     67
_journal_issue      2
_journal_page_first     m221
_journal_page_last     m221
_journal_paper_category     QM
_journal_coeditor_code     BT5441
_publ_contact_author_name     'Zahra Safari'
_publ_contact_author_address
;
Department of Chemistry, Islamic Azad University, North Tehran Branch, Tehran,
Iran
;
_publ_contact_author_email     'z.safari515@yahoo.com'
_publ_contact_author_fax     '98(21)22222263'
_publ_contact_author_phone     '98(21)22222263'
_publ_section_title
;
Poly[aqua(dimethyl sulfoxide)(μ₄-pyridine-2,5-dicarboxylato)calcium(II)]
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Pasdar, Hoda' .
;
Department of Chemistry, Islamic Azad University, North Tehran Branch, Tehran,
Iran
;
    'Safari, Zahra' .
;
Department of Chemistry, Islamic Azad University, North Tehran Branch, Tehran,
Iran
;
    'Aghabozorg, Hossein' .
;
Department of Chemistry, Islamic Azad University, North Tehran Branch, Tehran,
Iran
;
    'Notash, Behrouz' .
;
Department of Chemistry, Shahid Beheshti University, G. C., Evin, Tehran
1983963113, Iran
;
    'Mirzaei, Masoud' .
;
Department of Chemistry, School of Sciences, Ferdowsi University of Mashhad,
Mashhad, Iran
;
