Magnetic Properties of Tetrakis[4-(α-diazobenzyl)pyridine]bis(thiocyanato-N)cobalt(II) in Frozen Solution after Irradiation. Formation of a Single-Molecule Magnet in Frozen Solution
Satoru Karasawa; Guangyuan Zhou; Hiroshi Morikawa; Noboru Koga; Journal of the American Chemical Society 125 (2003) 13676–13677; doi:10.1021/ja035478s

data_4114333
_publ_section_title
;
 Magnetic Properties of
 Tetrakis[4-(\a-diazobenzyl)pyridine]bis(thiocyanato-N)cobalt(II) in
 Frozen Solution after Irradiation. Formation of a Single-Molecule Magnet
 in Frozen Solution
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13676
_journal_page_last               13677
_journal_paper_doi               10.1021/ja035478s
_journal_volume                  125
_journal_year                    2003
_chemical_formula_moiety         'C50 H36 Co N14 S2 '
_chemical_formula_sum            'C50 H36 Co N14 S2'
_chemical_formula_weight         955.98
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.35(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.367(6)
_cell_length_b                   11.437(6)
_cell_length_c                   19.44(1)
_cell_measurement_reflns_used    18613
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     2252(2)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9947
_diffrn_measured_fraction_theta_max 0.9947
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.047
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            20730
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.528
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
     Higashi, T. (1995). Program for Absorption Correction.
     Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.410
_exptl_crystal_description       block
_exptl_crystal_F_000             986.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.50
_refine_diff_density_max         0.50
_refine_diff_density_min         -0.36
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     322
_refine_ls_number_reflns         3555
_refine_ls_R_factor_gt           0.0390
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0810
_reflns_number_gt                3535
_reflns_number_total             5139
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja035478ssi20030928_031957.cif
_cod_data_source_block           '_final____________________'
_cod_original_cell_volume        2252.1(2)
_cod_original_formula_sum        'C50 H36 Co N14 S2 '
_cod_database_code               4114333