<i>catena</i>-Poly[[bis(methanol-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)]-μ-1,3-bis(pyridin-4-yl)propane-κ^2^<i>N</i>,<i>N</i>']
Wöhlert, Susanne; Näther, Christian; Acta Crystallographica Section E 68 (2012) m138–; doi:10.1107/S1600536812000499

data_2233665
_publ_section_title
;
 <i>catena</i>-Poly[[bis(methanol-\k<i>O</i>)bis(thiocyanato-\k<i>N</i>)cobalt(II)]-\m-1,3-bis(pyridin-4-yl)propane-\k^2^<i>N</i>,<i>N</i>']
;
_journal_coeditor_code           WM2581
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m138
_journal_paper_doi               10.1107/S1600536812000499
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Co (N C S)2 (C13 H14 N2) (C H4 O)2]'
_chemical_formula_moiety         'C17 H22 Co N4 O2 S2'
_chemical_formula_sum            'C17 H22 Co N4 O2 S2'
_chemical_formula_weight         437.44
_chemical_name_systematic
;
<i>catena</i>-Poly[[bis(methanol-\k<i>O</i>)bis(thiocyanato-
\k<i>N</i>)cobalt(II)]-\m-1,3-bis(pyridin-4-yl)propane-
\k^2^<i>N</i>,<i>N</i>']
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.176(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.5440(12)
_cell_length_b                   7.5708(3)
_cell_length_c                   13.4274(7)
_cell_measurement_reflns_used    7860
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.99
_cell_measurement_theta_min      2.87
_cell_volume                     2079.91(18)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2008)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2008)'
_computing_data_reduction        'X-AREA (Stoe & Cie, 2008)'
_computing_molecular_graphics
;
XP in <i>SHELXTL</i> (Sheldrick, 2008) and <i>DIAMOND</i> (Brandenburg,
2010)
;
_computing_publication_material  'XCIF in <i>SHELXTL</i> (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Stoe IPDS-2'
_diffrn_measurement_method       '\w scans'
_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  0.0212
_diffrn_reflns_av_sigmaI/netI    0.0167
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7860
_diffrn_reflns_theta_full        27.99
_diffrn_reflns_theta_max         27.99
_diffrn_reflns_theta_min         2.87
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.044
_exptl_absorpt_correction_T_max  0.983
_exptl_absorpt_correction_T_min  0.971
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
'(<i>X-SHAPE</i> and <i>X-RED32</i>; Stoe & Cie, 2008)'
_exptl_crystal_colour            light-green
_exptl_crystal_density_diffrn    1.397
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             908
_exptl_crystal_size_max          0.1229
_exptl_crystal_size_mid          0.0221
_exptl_crystal_size_min          0.0180
_refine_diff_density_max         0.247
_refine_diff_density_min         -0.250
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     125
_refine_ls_number_reflns         2463
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0437
_refine_ls_R_factor_gt           0.0345
_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^)+(0.0342P)^2^+1.3966P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0771
_refine_ls_wR_factor_ref         0.0807
_reflns_number_gt                2105
_reflns_number_total             2463
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            wm2581.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2233665
_cod_database_fobs_code          2233665