Poly[[(μ~2~-benzene-1,4-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^,<i>O</i>^4'^)(μ~2~-di-4-pyridyldiazene-κ^2^<i>N</i>^1^:<i>N</i>^1'^)cobalt(II)] <i>N</i>,<i>N</i>-dimethylformamide disolvate hemihydrate]
Chu, Chao-Xia; Zhang, Ying; Zhou, Hu; Yuan, Ai-Hua; Acta Crystallographica Section E 65 (2009) m1035–m1036; doi:10.1107/S1600536809030189

data_2222955
_publ_section_title
;Poly[[(\m~2~-benzene-1,4-dicarboxylato-\k^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^,<i>O</i>^4'^)(\m~2~-di-4-pyridyldiazene-\k^2^<i>N</i>^1^:<i>N</i>^1'^)cobalt(II)]
 <i>N</i>,<i>N</i>-dimethylformamide disolvate hemihydrate]
;
_journal_coeditor_code           AT2838
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1035
_journal_page_last               m1036
_journal_paper_doi               10.1107/S1600536809030189
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac
'[Co (C8 H4 O4) (C10 H8 N4)], 2C3 H7 N O, 0.5H2 O'
_chemical_formula_moiety         'C18 H12 Co N4 O4, 2(C3 H7 N O), 0.5(H2 O1)'
_chemical_formula_sum            'C24 H27 Co N6 O6.5'
_chemical_formula_weight         562.45
_chemical_name_systematic
;
Poly[[(\m~2~-benzene-1,4-dicarboxylato-
\k^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^,<i>O</i>^4'^)(\m~2~-di-4-
pyridyldiazene-\k^2^<i>N</i>^1^:<i>N</i>^1'^)cobalt(II)]
<i>N</i>,<i>N</i>-dimethylformamide disolvate hemihydrate]
;
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_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            16
_cell_length_a                   32.441(4)
_cell_length_b                   34.138(4)
_cell_length_c                   10.1972(12)
_cell_measurement_reflns_used    3875
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      24.42
_cell_measurement_theta_min      2.16
_cell_volume                     11293(2)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'SMART (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics
'SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0619
_diffrn_reflns_av_sigmaI/netI    0.0693
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -42
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            21948
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.73
_exptl_absorpt_coefficient_mu    0.656
_exptl_absorpt_correction_T_max  0.88
_exptl_absorpt_correction_T_min  0.84
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2004)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.323
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       pale
_exptl_crystal_F_000             4672
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.354
_refine_diff_density_min         -0.358
_refine_ls_abs_structure_details 'Flack (1983), 2564 Freidel pairs'
_refine_ls_abs_structure_Flack   0.04(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         5500
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0738
_refine_ls_R_factor_gt           0.0566
_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^)+(0.07P)^2^+1.99P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1297
_refine_ls_wR_factor_ref         0.1339
_reflns_number_gt                4262
_reflns_number_total             5500
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            at2838.cif
_cod_data_source_block           I
_cod_original_formula_sum        'C24 H27 Co1 N6 O6.5'
_cod_database_code               2222955
_cod_database_fobs_code          2222955