Synthesis and Alcohol Vapor Sensitivity of a Ferromagnetic Copper-Tungsten Bimetallic Assembly
Shin-ichi Ohkoshi; Yoshihide Tsunobuchi; Hitomi Takahashi; Toshiya Hozumi; Motoo Shiro; Kazuhito Hashimoto; Journal of the American Chemical Society 129 (2007) 3084–3085; doi:10.1021/ja069353+

data_4111347
_publ_contact_author_address
;
    Department of Chemistry, School of Science,
    The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku,
    Tokyo 1133-0033, Japan
;
_publ_contact_author_email       ohkoshi@chem.s.u-tokyo.ac.jp
_publ_contact_author_name        'Shin-ichi Ohkoshi'
_publ_section_title
;
 Synthesis and Alcohol Vapor Sensitivity of a Ferromagnetic
 Copper-Tungsten Bimetallic Assembly
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3084
_journal_page_last               3085
_journal_paper_doi               10.1021/ja069353+
_journal_volume                  129
_journal_year                    2007
_chemical_formula_moiety         'C24 H8 Cu3 N20 W2, 8(H2 O) '
_chemical_formula_sum            'C24 H24 Cu3 N20 O8 W2'
_chemical_formula_weight         1278.92
_space_group_IT_number           72
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      72
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_audit_creation_date             2006-10-23
_audit_creation_method           'by CrystalStructure 3.7.0'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   11.419(2)
_cell_length_b                   24.830(4)
_cell_length_c                   30.005(4)
_cell_measurement_reflns_used    39008
_cell_measurement_temperature    296(1)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     8507(2)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.077
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            41527
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    6.935
_exptl_absorpt_correction_T_max  0.250
_exptl_absorpt_correction_T_min  0.103
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.972
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4728.00
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.50
_refine_diff_density_min         -1.01
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     274
_refine_ls_number_reflns         4981
_refine_ls_R_factor_gt           0.0253
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0153P)^2^+38.9052P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0614
_reflns_number_gt                4773
_reflns_number_total             4981
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja069353si20061229_124812.cif
_cod_data_source_block           '_CuWprm-H2O'
_cod_original_cell_volume        8507(3)
_cod_original_formula_sum        'C24 H24 Cu3 N20 O8 W2 '
_cod_database_code               4111347