<i>catena</i>-Poly[piperazindiium [zincate(II)-bis(μ-pyridine-2,3-dicarboxylato)-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^3^;κ^3^<i>O</i>^3^:<i>N</i>,<i>O</i>^2^] tetrahydrate]
Aghabozorg, Hossein; Daneshvar, Shirin; Motyeian, Elham; Ghadermazi, Mohammad; Attar Gharamaleki, Jafar; Acta Crystallographica Section E 63 (2007) m2468–m2469; doi:10.1107/S1600536807042651

data_2215625
_publ_section_title
;<i>catena</i>-Poly[piperazindiium
 [zincate(II)-bis(\m-pyridine-2,3-dicarboxylato)-\k^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^3^;\k^3^<i>O</i>^3^:<i>N</i>,<i>O</i>^2^]
 tetrahydrate]
;
_journal_coeditor_code           OM2156
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2468
_journal_page_last               m2469
_journal_paper_doi               10.1107/S1600536807042651
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
;
(C4 H12 N2) [Zn (C14 H6 N2 O8)2], 4H2 O
;
_chemical_formula_moiety         'C4 H12 N2 2+, C14 H6 N2 O8 Zn 2-, 4(H2 O)'
_chemical_formula_sum            'C18 H26 N4 O12 Zn'
_chemical_formula_weight         555.80
_chemical_name_systematic
;
catena-Poly[piperazindiium
[zincate(II)-bis(\m-pyridine-2,3-dicarboxylato)-
\k^3^N,O^2^:O^3^;\k^3^O^3^:N,O^2^] tetrahydrate]
;
_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   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                78.493(2)
_cell_angle_beta                 79.524(2)
_cell_angle_gamma                71.284(2)
_cell_formula_units_Z            1
_cell_length_a                   6.6535(6)
_cell_length_b                   8.4170(8)
_cell_length_c                   10.3399(9)
_cell_measurement_reflns_used    3747
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.05
_cell_measurement_theta_min      2.58
_cell_volume                     533.07(8)
_computing_cell_refinement       APEX2
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        APEX2
_computing_molecular_graphics    SHELXTL
_computing_publication_material  'SHELXTL a'
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 1998)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0200
_diffrn_reflns_av_sigmaI/netI    0.0271
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6813
_diffrn_reflns_theta_full        30.06
_diffrn_reflns_theta_max         30.06
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    1.229
_exptl_absorpt_correction_T_max  0.7911
_exptl_absorpt_correction_T_min  0.6729
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(APEX2; Bruker, 2005)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.731
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             288
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.453
_refine_diff_density_min         -0.461
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     160
_refine_ls_number_reflns         3105
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.0296
_refine_ls_R_factor_gt           0.0268
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0412P)^2^+0.2057P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0695
_refine_ls_wR_factor_ref         0.0712
_reflns_number_gt                2876
_reflns_number_total             3105
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            om2156.cif
_cod_data_source_block           I
_cod_database_code               2215625
_cod_database_fobs_code          2215625