Poly[(μ~3~-benzene-1,3-dicarboxylato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>''')(μ~4~-benzene-1,3-dicarboxylato-κ^5^<i>O</i>,<i>O</i>':<i>O</i>':<i>O</i>'':<i>O</i>''')(μ~2~-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>')dicobalt(II)]
Tai-Hsing Tsao; Chia-Her Lin; Acta Crystallographica Section E 63 (2007) m2342–m2342; doi:10.1107/S1600536807038020

data_2215175
_publ_section_title
Poly[(\m~3~-benzene-1,3-dicarboxylato-\k^4^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>''')(\m~4~-benzene-1,3-dicarboxylato-\k^5^<i>O</i>,<i>O</i>':<i>O</i>':<i>O</i>'':<i>O</i>''')(\m~2~-1,3-di-4-pyridylpropane-\k^2^<i>N</i>:<i>N</i>')dicobalt(II)]
_journal_coeditor_code           HY2073
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2342
_journal_page_last               m2342
_journal_paper_doi               10.1107/S1600536807038020
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Co2 (C8 H4 O4)2 (C13 H14 N2)]'
_chemical_formula_moiety         'C29 H22 Co2 N2 O8'
_chemical_formula_sum            'C29 H22 Co2 N2 O8'
_chemical_formula_weight         644.35
_chemical_name_systematic
;
Poly[[(\m~3~-benzene-1,3-dicarboxylato-\k^4^O,O':O'':O''')(\m~4~-
benzene-1,3-dicarboxylato-\k^5^O,O':O':O'':O''')(\m~2~-1,3-di-4-
pyridylpropane-\k^2^N:N')dicobalt(II)]
;
_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           SHELXL-97
_cell_angle_alpha                81.334(2)
_cell_angle_beta                 72.739(2)
_cell_angle_gamma                76.0150(10)
_cell_formula_units_Z            2
_cell_length_a                   9.3705(6)
_cell_length_b                   9.9598(7)
_cell_length_c                   15.0310(10)
_cell_measurement_reflns_used    3042
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      25.46
_cell_measurement_theta_min      2.38
_cell_volume                     1295.20(15)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 2001)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker Kappa-APEXII CCD area-detector'
_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  0.0550
_diffrn_reflns_av_sigmaI/netI    0.0839
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            15494
_diffrn_reflns_theta_full        28.30
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         1.42
_exptl_absorpt_coefficient_mu    1.338
_exptl_absorpt_correction_T_max  0.9694
_exptl_absorpt_correction_T_min  0.7933
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.652
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       tabular
_exptl_crystal_F_000             656
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.555
_refine_diff_density_min         -0.439
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.811
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         6411
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.811
_refine_ls_R_factor_all          0.0661
_refine_ls_R_factor_gt           0.0366
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0247P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0681
_refine_ls_wR_factor_ref         0.0762
_reflns_number_gt                4026
_reflns_number_total             6411
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2073.cif
_cod_data_source_block           I
_cod_original_cell_volume        1295.22(15)
_cod_database_code               2215175
_cod_database_fobs_code          2215175