Crystal Structure and Magnetic Property of Two Novel 1-D Cobalt(II) Assemblies
Masuhara, Naoji; Hayami, Shinya; Motokawa, Natsuko; Shuto, Aya; Inoue, Katsuya; Maeda, Yonezo; Chemistry Letters 36 (2007) 90–; doi:10.1246/cl.2007.90

data_8000179
_publ_section_title
;
 Crystal Structure and Magnetic Property of Two Novel 1-D Cobalt(II)
 Assemblies
;
_journal_issue                   1
_journal_name_full               'Chemistry Letters'
_journal_page_first              90
_journal_paper_doi               10.1246/cl.2007.90
_journal_volume                  36
_journal_year                    2007
_chemical_formula_sum            'C22 H14 Co N6 S2'
_chemical_formula_weight         485.45
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.490(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.5751(9)
_cell_length_b                   11.202(1)
_cell_length_c                   11.9673(6)
_cell_measurement_reflns_used    9221
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.7
_cell_volume                     2038.5(2)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9974
_diffrn_measured_fraction_theta_max 0.9974
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.061
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8131
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.070
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.631
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            unknown
_exptl_crystal_density_diffrn    1.582
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       unknown
_exptl_crystal_size_max          0.000
_exptl_crystal_size_mid          0.000
_exptl_crystal_size_min          0.000
_refine_diff_density_max         0.79
_refine_diff_density_min         -0.48
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.359
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     143
_refine_ls_number_reflns         1633
_refine_ls_R_factor_gt           0.0417
_refine_ls_shift/su_max          0.0111
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1061
_reflns_number_gt                1633
_reflns_number_total             2339
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            36-90sup1.cif
_cod_data_source_block           ku6
_cod_original_cell_volume        2038.6(2)
_cod_original_formula_sum        'C22 H14 Co N6 S2 '
_cod_database_code               8000179