Crystal structure of a Co<sup>II</sup> coordination polymer with a dipyridyl ligand: <i>catena</i>-poly[[bis-(nitrato-κ<sup>2</sup><i>O</i>,<i>O</i>')cobalt(II)]-μ-<i>N</i>-(pyridin-2-ylmeth-yl)pyridine-3-amine-κ<sup>3</sup><i>N</i>,<i>N</i>':<i>N</i>''].
Moon, Suk-Hee; Kang, Youngjin; Park, Ki-Min; Acta crystallographica. Section E, Crystallographic communications 73 (2017) 1696–1699; doi:10.1107/S205698901701475X

data_2311484
_publ_section_title
;
 Crystal structure of a Co<sup>II</sup> coordination polymer with a
 dipyridyl ligand:
 <i>catena</i>-poly[[bis-(nitrato-\k<sup>2</sup><i>O</i>,<i>O</i>')cobalt(II)]-\m-<i>N</i>-(pyridin-2-ylmeth-yl)pyridine-3-amine-\k<sup>3</sup><i>N</i>,<i>N</i>':<i>N</i>''].
;
_journal_issue                   'Pt 11'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              1696
_journal_page_last               1699
_journal_paper_doi               10.1107/S205698901701475X
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Co (N O3)2 (C11 H11 N3)]'
_chemical_formula_moiety         'C11 H11 Co N5 O6'
_chemical_formula_sum            'C11 H11 Co N5 O6'
_chemical_formula_weight         368.18
_chemical_name_systematic
<i>catena</i>-Poly[[bis(nitrato-\k^2^<i>O</i>,<i>O'</i>)cobalt(II)]-\m-<i>N</i>-(pyridin-2-ylmethyl)pyridine-3-amine-\k^3^<i>N</i>,<i>N</i>':<i>N</i>'']
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 108.160(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.4550(13)
_cell_length_b                   17.662(2)
_cell_length_c                   7.9653(10)
_cell_measurement_reflns_used    2739
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.99
_cell_measurement_theta_min      2.05
_cell_volume                     1397.6(3)
_computing_cell_refinement
;
SAINT (Bruker, 2014)
;
_computing_data_collection
;
APEX2 (Bruker, 2014)
;
_computing_data_reduction
;
SAINT (Bruker, 2014)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 2010)
;
_computing_publication_material
;
SHELXTL (Sheldrick, 2008) and publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0703
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            7841
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.994
_diffrn_reflns_theta_min         2.352
_exptl_absorpt_coefficient_mu    1.270
_exptl_absorpt_correction_T_max  0.724629
_exptl_absorpt_correction_T_min  0.643781
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2014)
;
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.750
_exptl_crystal_description       block
_exptl_crystal_F_000             748
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.270
_exptl_crystal_size_min          0.230
_refine_diff_density_max         0.260
_refine_diff_density_min         -0.312
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.962
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     208
_refine_ls_number_reflns         2737
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.962
_refine_ls_R_factor_all          0.0880
_refine_ls_R_factor_gt           0.0405
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0331P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0736
_refine_ls_wR_factor_ref         0.0868
_reflns_number_gt                1695
_reflns_number_total             2737
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            nk2241sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2311484
_shelx_estimated_absorpt_t_min   0.687
_shelx_estimated_absorpt_t_max   0.759
_shelx_hkl_checksum              99442
_shelx_res_checksum              62634