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_4111348
_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, 1.5(C3 H8 O), 2.25(H2 O)'
_chemical_formula_sum            'C28.5 H24.5 Cu3 N20 O3.75 W2'
_chemical_formula_weight         1265.48
_space_group_IT_number           59
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      59
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_audit_creation_date             2006-07-07
_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            4
_cell_length_a                   14.761(2)
_cell_length_b                   25.593(4)
_cell_length_c                   11.5284(19)
_cell_measurement_reflns_used    7291
_cell_measurement_temperature    90(1)
_cell_measurement_theta_max      29.9
_cell_measurement_theta_min      3.2
_cell_volume                     4355.2(12)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (R/MSC, Rigaku, 2005)'
_computing_molecular_graphics    'ORTEP (Johnson, 1976)'
_computing_publication_material  'CrystalStructure (R/MSC, Rigaku, 2005)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.057
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            35384
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    6.766
_exptl_absorpt_correction_T_max  0.763
_exptl_absorpt_correction_T_min  0.425
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.930
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             2402.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.04
_refine_diff_density_max         5.29
_refine_diff_density_min         -1.14
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     280
_refine_ls_number_reflns         5285
_refine_ls_R_factor_gt           0.0441
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0462P)^2^+81.3653P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1244
_reflns_number_gt                4350
_reflns_number_total             5285
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja069353si20061229_124828.cif
_cod_data_source_block           '_CuWprm-PrOH'
_cod_original_cell_volume        4355.1(12)
_cod_original_sg_symbol_H-M      'P m m n'
_cod_original_formula_sum        'C28.50 H24.50 Cu3 N20 O3.75 W2 '
_cod_database_code               4111348