<i>catena</i>-Poly[[copper(II)-bis(μ-3-carboxypyridine-2-carboxylato)-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^] methanol disolvate]
Turner, David R.; Batten, Stuart R.; Acta Crystallographica Section E 63 (2007) m452–m454; doi:10.1107/S1600536807000499

data_2212030
_publ_section_title
;<i>catena</i>-Poly[[copper(II)-bis(\m-3-carboxypyridine-2-carboxylato)-\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^]
 methanol disolvate]
;
_journal_coeditor_code           BI2129
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m452
_journal_page_last               m454
_journal_paper_doi               10.1107/S1600536807000499
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu (C7 H4 O4)2], 2C H4 O'
_chemical_formula_moiety         'C14 H8 Cu N2 O8, 2C H4 O'
_chemical_formula_sum            'C16 H16 Cu N2 O10'
_chemical_formula_weight         459.85
_chemical_name_common            '[Cu(2-CO2-3-CO2H-py)].2MeOH'
_chemical_name_systematic
;
Poly[[copper(II)-bis(\m-3-carboxypyridine-2-carboxylato-
\k^3^N,O^2^:O^3^)copper(II)] methanol disolvate]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.136(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.6850(8)
_cell_length_b                   9.7739(12)
_cell_length_c                   13.2657(18)
_cell_measurement_reflns_used    1660
_cell_measurement_temperature    123.0(10)
_cell_measurement_theta_max      27.65
_cell_measurement_theta_min      2.59
_cell_volume                     865.46(19)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'X-SEED (Barbour, 1999)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      123.0(10)
_diffrn_measured_fraction_theta_full 0.949
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_device_type  'Bruker X8 APEX-II CCD'
_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  0.0309
_diffrn_reflns_av_sigmaI/netI    0.0334
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4342
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         2.59
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.326
_exptl_absorpt_correction_T_max  0.879
_exptl_absorpt_correction_T_min  0.724
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1997)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.765
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             470
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.326
_refine_diff_density_min         -0.334
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     142
_refine_ls_number_reflns         1440
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          0.0396
_refine_ls_R_factor_gt           0.0338
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.2P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0785
_refine_ls_wR_factor_ref         0.0814
_reflns_number_gt                1274
_reflns_number_total             1440
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bi2129.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2212030
_cod_database_fobs_code          2212030