Crystal Structure, Charge-Transfer-Induced Spin Transition, and Photoreversible Magnetism in a Cyano-Bridged Cobalt−Tungstate Bimetallic Assembly
Ohkoshi, Shin-ichi; Hamada, Yoshiho; Matsuda, Tomoyuki; Tsunobuchi, Yoshihide; Tokoro, Hiroko; Chemistry of Materials 20 (2008) 3048–; doi:10.1021/cm703258n

data_4001130
_publ_section_title
;
 Crystal Structure, Charge-Transfer-Induced Spin Transition, and
 Photoreversible Magnetism in a Cyano-Bridged Cobalt&#x2212;Tungstate
 Bimetallic Assembly
;
_journal_issue                   9
_journal_name_full               'Chemistry of Materials'
_journal_page_first              3048
_journal_paper_doi               10.1021/cm703258n
_journal_volume                  20
_journal_year                    2008
_chemical_formula_moiety         'C32 H28 Co3 N24 O6 W2 '
_chemical_formula_sum            'C32 H28 Co3 N24 O6 W2'
_chemical_formula_weight         1389.23
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 91.121(14)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   7.179(2)
_cell_length_b                   14.634(5)
_cell_length_c                   22.134(7)
_cell_measurement_reflns_used    16018
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      3.0
_cell_volume                     2324.9(13)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.103
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            20545
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    6.052
_exptl_absorpt_correction_T_max  0.886
_exptl_absorpt_correction_T_min  0.550
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.984
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chip
_exptl_crystal_F_000             1330.00
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.02
_refine_diff_density_max         12.00
_refine_diff_density_min         -3.72
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.987
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     312
_refine_ls_number_reflns         3267
_refine_ls_R_factor_gt           0.0976
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 3.0000\s(Fo^2^) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2241
_reflns_number_gt                3244
_reflns_number_total             4791
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            cm703258n-file004.cif
_cod_data_source_block           '_CoWprm_compound2'
_cod_original_formula_sum        'C32 H28 Co3 N24 O6 W2 '
_cod_database_code               4001130