<i>catena</i>-Poly[[bis(3-pyridylmethanol-κ<i>N</i>)copper(II)]-μ-oxalato-1κ^2^<i>O</i>^1^,<i>O</i>^2^:2κ^2^<i>O</i>^1'^,<i>O</i>^2'^]
Jašková, Jana; Mikloš, Dušan; Segľa, Peter; Sillanpää, Reijo; Moncol, Jan; Acta Crystallographica Section E 63 (2007) m910–m912; doi:10.1107/S1600536807008471

data_2212604
_publ_section_title
<i>catena</i>-Poly[[bis(3-pyridylmethanol-\k<i>N</i>)copper(II)]-\m-oxalato-1\k^2^<i>O</i>^1^,<i>O</i>^2^:2\k^2^<i>O</i>^1'^,<i>O</i>^2'^]
_journal_coeditor_code           HK2205
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m910
_journal_page_last               m912
_journal_paper_doi               10.1107/S1600536807008471
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu (C2 O4) (C6 H7 N O)2]'
_chemical_formula_moiety         'C14 H14 Cu N2 O6'
_chemical_formula_sum            'C14 H14 Cu N2 O6'
_chemical_formula_weight         369.82
_chemical_name_systematic
;
catena-Poly[[bis(3-pyridylmethanol-\kN)copper(II)]-\m-oxalato-
1\k^2^O^1^,O^2^:2\k^2^O^1'^,O^2'^]
;
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                100.6430(10)
_cell_angle_beta                 95.3480(10)
_cell_angle_gamma                94.5810(10)
_cell_formula_units_Z            2
_cell_length_a                   8.6551(3)
_cell_length_b                   9.0505(2)
_cell_length_c                   9.9267(3)
_cell_measurement_reflns_used    2352
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      24.50
_cell_measurement_theta_min      2.80
_cell_volume                     757.13(4)
_computing_cell_refinement       'SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_data_reduction        'DENZO (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'enCIFer (Allen <i>et al.</i>,  2004)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.949
_diffrn_measured_fraction_theta_max 0.937
_diffrn_measurement_device_type  'Nonius KappaCCD area-detector'
_diffrn_measurement_method       '\w and \f'
_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  0.0477
_diffrn_reflns_av_sigmaI/netI    0.0469
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            6930
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.39
_diffrn_reflns_theta_min         2.80
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.475
_exptl_absorpt_correction_T_max  0.770
_exptl_absorpt_correction_T_min  0.739
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SORTAV; Blessing, 1995)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.622
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             378
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.544
_refine_diff_density_min         -0.711
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.147
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     210
_refine_ls_number_reflns         2613
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.147
_refine_ls_R_factor_all          0.0455
_refine_ls_R_factor_gt           0.0351
_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^)+(0.0176P)^2^+1.8114P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0778
_refine_ls_wR_factor_ref         0.1001
_reflns_number_gt                2323
_reflns_number_total             2613
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hk2205.cif
_cod_data_source_block           I
_cod_database_code               2212604
_cod_database_fobs_code          2212604