Poly[tris(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(dimethyl sulfoxide-κ<i>O</i>)tetrakis(thiocyanato-κ<i>N</i>)dicobalt(II)]
Kaenket, Surasak; Phuengphai, Pongthipun; Pakawatchai, Chaveng; Youngme, Sujittra; Acta Crystallographica Section E 70 (2014) m265–m266; doi:10.1107/S1600536814013555

data_2239689
_publ_section_title
;
 Poly[tris(\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>')bis(dimethyl
 sulfoxide-\k<i>O</i>)tetrakis(thiocyanato-\k<i>N</i>)dicobalt(II)]
;
_journal_coeditor_code           IS5365
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m265
_journal_page_last               m266
_journal_paper_doi               10.1107/S1600536814013555
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          '[Co2 (N C S)4 (C10 H8 N2)3 (C2 H6 O S)2]'
_chemical_formula_moiety         'C38 H36 Co2 N10 O2 S6'
_chemical_formula_sum            'C38 H36 Co2 N10 O2 S6'
_chemical_formula_weight         974.98
_chemical_name_systematic
;
Poly[tris(\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>')bis(dimethyl
sulfoxide-\k<i>O</i>)tetrakis(thiocyanato-\k<i>N</i>)dicobalt(II)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 103.6280(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.0772(3)
_cell_length_b                   16.9999(2)
_cell_length_c                   11.6843(3)
_cell_measurement_temperature    273(2)
_cell_volume                     2138.34(8)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'Mercury (Macrae <i>et al.</i>, 2008)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       'phi and omega 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  0.0318
_diffrn_reflns_av_sigmaI/netI    0.0399
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            14262
_diffrn_reflns_theta_full        29.77
_diffrn_reflns_theta_max         29.77
_diffrn_reflns_theta_min         2.16
_exptl_absorpt_coefficient_mu    1.116
_exptl_absorpt_correction_T_max  0.894
_exptl_absorpt_correction_T_min  0.591
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.514
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1000
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.016
_refine_diff_density_min         -0.581
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     264
_refine_ls_number_reflns         5584
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0726
_refine_ls_R_factor_gt           0.0431
_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^)+(0.0522P)^2^+1.1491P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0966
_refine_ls_wR_factor_ref         0.1086
_reflns_number_gt                3936
_reflns_number_total             5584
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            is5365sup1.cf
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2239689
_cod_database_fobs_code          2239689