Crystal structure of a zigzag Co<sup>II</sup> coordination polymer: <i>catena</i>-poly[[di-chlorido-bis-(methanol-κ<i>O</i>)cobalt(II)]-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) 1882–1884; doi:10.1107/S2056989017016449

data_2311537
_publ_section_title
;
 Crystal structure of a zigzag Co<sup>II</sup> coordination polymer:
 <i>catena</i>-poly[[di-chlorido-bis-(methanol-\k<i>O</i>)cobalt(II)]-\m-bis-(pyridin-3-ylmeth-yl)sulfane-\k<sup>2</sup><i>N</i>:<i>N</i>'].
;
_journal_issue                   'Pt 12'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              1882
_journal_page_last               1884
_journal_paper_doi               10.1107/S2056989017016449
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Co Cl2 (C12 H12 N2 S) (C H4 O)2]'
_chemical_formula_moiety         'C14 H20 Cl2 Co N2 O2 S'
_chemical_formula_sum            'C14 H20 Cl2 Co N2 O2 S'
_chemical_formula_weight         410.21
_chemical_name_systematic
<i>catena</i>-Poly[[dichloridobis(methanol-\k<i>O</i>)cobalt(II)]-\m-bis(pyridin-3-ylmethyl)sulfane-\k^2^<i>N</i>:<i>N</i>']
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 106.226(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.419(2)
_cell_length_b                   13.363(2)
_cell_length_c                   12.119(2)
_cell_measurement_reflns_used    5771
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.23
_cell_measurement_theta_min      2.40
_cell_volume                     1775.6(5)
_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 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker 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  0.0984
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5461
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.998
_diffrn_reflns_theta_min         2.403
_exptl_absorpt_coefficient_mu    1.391
_exptl_absorpt_correction_T_max  0.8875
_exptl_absorpt_correction_T_min  0.6265
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2014)
;
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.534
_exptl_crystal_description       needle
_exptl_crystal_F_000             844
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.366
_refine_diff_density_min         -0.319
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.919
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     102
_refine_ls_number_reflns         1947
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.919
_refine_ls_R_factor_all          0.1278
_refine_ls_R_factor_gt           0.0467
_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^)+(0.0319P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0772
_refine_ls_wR_factor_ref         0.0951
_reflns_number_gt                1013
_reflns_number_total             1947
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            zs2393sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        1775.6(6)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2311537
_shelx_estimated_absorpt_t_min   0.642
_shelx_estimated_absorpt_t_max   0.897
_shelx_hkl_checksum              44821
_shelx_res_checksum              24516