Poly[(μ~3~-5-aminoisophthalato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>''')[μ~2~-1,2-bis(4-pyridyl)ethane-κ^2^<i>N</i>:<i>N</i>']cobalt(II)]
Lush, Shie Fu; Shen, Fwu Ming; Acta Crystallographica Section E 66 (2010) m1069–m1070; doi:10.1107/S1600536810030710

data_2228095
_publ_section_title
;
 Poly[(\m~3~-5-aminoisophthalato-\k^4^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>''')[\m~2~-1,2-bis(4-pyridyl)ethane-\k^2^<i>N</i>:<i>N</i>']cobalt(II)]
;
_journal_coeditor_code           XU5004
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1069
_journal_page_last               m1070
_journal_paper_doi               10.1107/S1600536810030710
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Co (C8 H5 N O4) (C12 H12 N2)]'
_chemical_formula_moiety         'C20 H17 Co N3 O4'
_chemical_formula_sum            'C20 H17 Co N3 O4'
_chemical_formula_weight         422.30
_chemical_name_systematic
;
Poly[(\m~3~-5-aminoisophthalato-
\k^4^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>''')[\m~2~-1,2-bis(4-
pyridyl)ethane-\k^2^<i>N</i>:<i>N</i>']cobalt(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
_cell_angle_alpha                78.3010(10)
_cell_angle_beta                 83.5600(10)
_cell_angle_gamma                68.074(2)
_cell_formula_units_Z            2
_cell_length_a                   9.9093(2)
_cell_length_b                   10.0755(2)
_cell_length_c                   10.5065(3)
_cell_measurement_reflns_used    6854
_cell_measurement_temperature    298
_cell_measurement_theta_max      25.03
_cell_measurement_theta_min      2.04
_cell_volume                     952.12(4)
_computing_cell_refinement       'SCALEPACK (Otwinowski & Minor 1997)'
_computing_data_collection       'COLLECT (Nonius, 2000)'
_computing_data_reduction
'DENZO and SCALEPACK (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       \w/2\q
_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  0.0381
_diffrn_reflns_av_sigmaI/netI    0.0415
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            7715
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.21
_exptl_absorpt_coefficient_mu    0.933
_exptl_absorpt_correction_T_max  0.840
_exptl_absorpt_correction_T_min  0.732
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SCALEPACK; Otwinowski & Minor, 1997)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.473
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             434
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.575
_refine_diff_density_min         -0.604
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.157
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         3356
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.157
_refine_ls_R_factor_all          0.0439
_refine_ls_R_factor_gt           0.0347
_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^)+(0.0694P)^2^+0.2452P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1011
_refine_ls_wR_factor_ref         0.1198
_reflns_number_gt                3003
_reflns_number_total             3356
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            xu5004.cif
_cod_data_source_block           I
_cod_database_code               2228095
_cod_database_fobs_code          2228095