Crystal structure of a looped-chain Co<sup>II</sup> coordination polymer: <i>catena</i>-poly[[bis-(nitrato-κ<i>O</i>)cobalt(II)]bis-[μ-bis-(pyridin-3-ylmeth-yl)sulfane-κ<sup>2</sup><i>N</i>:<i>N</i>']].
Moon, Suk-Hee; Seo, Joobeom; Park, Ki-Min; Acta crystallographica. Section E, Crystallographic communications 73 (2017) 1700–1703; doi:10.1107/S2056989017014980

data_2311490
_publ_section_title
;
 Crystal structure of a looped-chain Co<sup>II</sup> coordination polymer:
 <i>catena</i>-poly[[bis-(nitrato-\k<i>O</i>)cobalt(II)]bis-[\m-bis-(pyridin-3-ylmeth-yl)sulfane-\k<sup>2</sup><i>N</i>:<i>N</i>']].
;
_journal_issue                   'Pt 11'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              1700
_journal_page_last               1703
_journal_paper_doi               10.1107/S2056989017014980
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Co (N O3)2 (C12 H12 N2 S1)2]'
_chemical_formula_moiety         'C24 H24 Co N6 O6 S2'
_chemical_formula_sum            'C24 H24 Co N6 O6 S2'
_chemical_formula_weight         615.54
_chemical_name_systematic
<i>catena</i>-Poly[[bis(nitrato-\k<i>O</i>)cobalt(II)]bis[\m-bis(pyridin-3-ylmethyl)sulfane-\k^2^<i>N</i>:<i>N</i>']]
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                98.531(2)
_cell_angle_beta                 109.218(2)
_cell_angle_gamma                92.062(2)
_cell_formula_units_Z            1
_cell_length_a                   8.1620(7)
_cell_length_b                   8.8158(8)
_cell_length_c                   9.5078(8)
_cell_measurement_reflns_used    3659
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.000
_cell_measurement_theta_min      2.302
_cell_volume                     636.22(10)
_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
;
<i>SHELXL2014/7</i> (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0400
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            3659
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         2.302
_exptl_absorpt_coefficient_mu    0.892
_exptl_absorpt_correction_T_max  0.8964
_exptl_absorpt_correction_T_min  0.6342
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2014)
;
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.607
_exptl_crystal_description       plate
_exptl_crystal_F_000             317
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.331
_refine_diff_density_min         -0.365
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     178
_refine_ls_number_reflns         2456
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0409
_refine_ls_R_factor_gt           0.0328
_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^)+(0.0488P)^2^+0.1617P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0834
_refine_ls_wR_factor_ref         0.0877
_reflns_number_gt                2082
_reflns_number_total             2456
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            hg5499sup1.cif
_cod_data_source_block           I
_cod_database_code               2311490
_shelx_estimated_absorpt_t_min   0.690
_shelx_estimated_absorpt_t_max   0.878
_shelx_hkl_checksum              4154
_shelx_res_checksum              25362