Copper(II) and zinc(II) complexes of pyridine-2,6-dicarboxylic acid
Okabe, Nobuo; Oya, Naomi; Acta Crystallographica Section C 56 (2000) 305–307; doi:10.1107/S0108270199015565

data_2010693
_publ_section_title
;
 Copper(II) and zinc(II) complexes of pyridine-2,6-dicarboxylic acid
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              305
_journal_page_last               307
_journal_paper_doi               10.1107/S0108270199015565
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[Zn (C7 H4 N O4 )2 ] , 3H2 O'
_chemical_formula_moiety         'C14 H8 N2 O8 Zn, 3H2 O'
_chemical_formula_sum            'C14 H14 N2 O11 Zn'
_chemical_formula_weight         451.65
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_type_scat_source
'International Tables for X-ray Crystallography Vol.IV'
_cell_angle_alpha                90
_cell_angle_beta                 116.554(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_b                   10.052(2)
_cell_length_c                   14.060(2)
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_cell_measurement_temperature    296
_cell_measurement_theta_max      15.0
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_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;MSC/AFC Diffractometer Control Software (Molecular Structure
 Corporation, 1992a)
;
_computing_data_reduction
'TEXSAN PROCESS (Molecular Structure Corporation, 1992b)'
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'TEXSAN/LS (Molecular Structure Corporation, 1992)'
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_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.477
_exptl_absorpt_correction_T_max  .801
_exptl_absorpt_correction_T_min  .755
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.724
_exptl_crystal_density_meas      ?
_exptl_crystal_description       pillar
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_exptl_crystal_size_min          .15
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_refine_diff_density_min         -.63
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 42 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/\s^2^(F~o~)' was changed
to 'calc'. New tag '_refine_ls_weighting_details' was created. The
value of the new tag was set to 'w = 1/\s^2^(F~o~)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1740.3(4)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               2010693