Poly[bis(μ~2~-pyridine-2,6-dicarboxylato)cobalt(II)disodium(I)]
Liu, Fu-Chen; Ouyang, Jie; Acta Crystallographica Section E 63 (2007) m2557–m2557; doi:10.1107/S1600536807044121

data_2215604
_publ_contact_author_address
;
School of Chemistry and Chemical Engineering,
Tianjin University of Technology,
Tianjin 300191
People's Republic of China
;
_publ_contact_author_email       fencer@mail.nankai.edu.cn
_publ_contact_author_name        'Dr. Liu, Fu-Chen'
_publ_contact_author_phone       ++86-22-24095017
_publ_section_title
;
 Poly[bis(\m~2~-pyridine-2,6-dicarboxylato)cobalt(II)disodium(I)]
;
_journal_coeditor_code           NC2057
_journal_date_accepted           2007-09-10
_journal_date_recd_electronic    2007-09-06
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2557
_journal_page_last               m2557
_journal_paper_category          QM
_journal_paper_doi               10.1107/S1600536807044121
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Na2 Co (C7 H3 N O4)2]'
_chemical_formula_moiety         'C14 H6 Co N2 Na2 O8'
_chemical_formula_sum            'C14 H6 Co N2 Na2 O8'
_chemical_formula_weight         435.12
_chemical_name_systematic
;
Poly[bis(\m2-pyridine-2,6-dicarboxylato)cobalt(II)disodium(I)]
;
_space_group_IT_number           52
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2a 2bc'
_symmetry_space_group_name_H-M   'P n n a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.476(3)
_cell_length_b                   12.643(3)
_cell_length_c                   8.2179(16)
_cell_measurement_reflns_used    12804
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      3.2
_cell_volume                     1504.0(6)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT and SHELXTL (Bruker, 1998)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  'SHELXTL (Bruker, 1998)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w scan'
_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  0.0454
_diffrn_reflns_av_sigmaI/netI    0.0227
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            12550
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         3.22
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.252
_exptl_absorpt_correction_T_max  0.611
_exptl_absorpt_correction_T_min  0.560
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1998)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.922
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             868
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.4
_refine_diff_density_max         0.247
_refine_diff_density_min         -0.281
_refine_ls_extinction_coef       0.0131(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.162
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     124
_refine_ls_number_reflns         1401
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.162
_refine_ls_R_factor_all          0.0338
_refine_ls_R_factor_gt           0.0292
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0255P)^2^+1.1266P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0667
_refine_ls_wR_factor_ref         0.0688
_reflns_number_gt                1288
_reflns_number_total             1401
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            nc2057.cif
_cod_data_source_block           I
_cod_original_cell_volume        1504.0(5)
_cod_original_sg_symbol_H-M      Pnna
_cod_database_code               2215604
_cod_database_fobs_code          2215604