<i>catena</i>-Poly[[[diaquanickel(II)]-μ-pyridine-2,4-dicarboxylato-[tetraaquanickel(II)]-μ-pyridine-2,4-dicarboxylato] dihydrate]
Liu, Yen-Hsiang; Jhang, Pei-Ci; Acta Crystallographica Section E 63 (2007) m1682–m1682; doi:10.1107/S1600536807023021

data_2214005
_publ_section_title
;<i>catena</i>-Poly[[[diaquanickel(II)]-\m-pyridine-2,4-dicarboxylato-[tetraaquanickel(II)]-\m-pyridine-2,4-dicarboxylato]
 dihydrate]
;
_journal_coeditor_code           XU2253
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1682
_journal_page_last               m1682
_journal_paper_doi               10.1107/S1600536807023021
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ni2 (C7 H3 O4 N)2 (H2 O)6], 2H2 O'
_chemical_formula_moiety         'C14 H18 N2 Ni2 O14, 2H2 O'
_chemical_formula_sum            'C14 H22 N2 Ni2 O16'
_chemical_formula_weight         591.76
_chemical_name_systematic
;
<i>catena</i>-Poly[[[diaquanickel(II)]-\m-pyridine-2,4-dicarboxylato-
[tetraaquanickel(II)]-\m-pyridine-2,4-dicarboxylato] dihydrate]
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                105.130(17)
_cell_angle_beta                 95.953(18)
_cell_angle_gamma                101.584(17)
_cell_formula_units_Z            1
_cell_length_a                   5.2115(12)
_cell_length_b                   8.4001(18)
_cell_length_c                   13.107(3)
_cell_measurement_reflns_used    23
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      8.1
_cell_volume                     535.2(2)
_computing_cell_refinement       XSCANS
_computing_data_collection       'XSCANS (Bruker, 1991)'
_computing_data_reduction        XSCANS
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '2\q/\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.032
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            2075
_diffrn_reflns_theta_full        25.0
_diffrn_reflns_theta_max         25.0
_diffrn_reflns_theta_min         2.5
_diffrn_standards_decay_%        1.0
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.845
_exptl_absorpt_correction_T_max  0.825
_exptl_absorpt_correction_T_min  0.706
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North <i>et al.</i>,  1968)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.836
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             304
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.368
_refine_diff_density_min         -0.353
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     157
_refine_ls_number_reflns         1854
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_gt           0.036
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0407P)^2^+0.0365P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.092
_reflns_number_gt                1354
_reflns_number_total             1854
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            xu2253.cif
_cod_data_source_block           I
_cod_database_code               2214005
_cod_database_fobs_code          2214005