Molecular Alloy with Diluted Magnetic Moments-Molecular Kondo System
Yuki Idobata; Biao Zhou; Akiko Kobayashi; Hayao Kobayashi; Journal of the American Chemical Society 134 (2012) 871–874; doi:10.1021/ja210019y

data_4117308
_publ_contact_author_address
;Department of Chemistry, College of Humanities and Sciences,
Nihon University
Sakurajosui 3-25-40, Setagaya-ku, Tokyo 156-8550, Japan
;
_publ_contact_author_email       akoba@chs.nihon-u.ac.jp
_publ_contact_author_name        'Akiko kobayashi, Hayao Kobayashi'
_publ_section_title
;
 Molecular Alloy with Diluted Magnetic Moments-Molecular Kondo System
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              871
_journal_page_last               874
_journal_paper_doi               10.1021/ja210019y
_journal_volume                  134
_journal_year                    2012
_chemical_formula_moiety         'C18 H12 Ni S12'
_chemical_formula_sum            'C18 H12 Ni S12'
_chemical_formula_weight         671.71
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2011-11-07
_audit_creation_method           'by CrystalStructure 3.8'
_cell_angle_alpha                90.538(19)
_cell_angle_beta                 96.938(19)
_cell_angle_gamma                103.547(19)
_cell_formula_units_Z            1
_cell_length_a                   6.4186(16)
_cell_length_b                   7.4571(17)
_cell_length_c                   12.041(3)
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     555.8(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      293
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.704
_diffrn_measured_fraction_theta_max 0.704
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.115
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            3533
_diffrn_reflns_theta_full        30.03
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         3
_exptl_absorpt_coefficient_mu    2.009
_exptl_absorpt_correction_T_max  0.961
_exptl_absorpt_correction_T_min  0.276
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.007
_exptl_crystal_description       platelet
_exptl_crystal_F_000             340.00
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.52
_refine_diff_density_min         -1.82
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.947
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     104
_refine_ls_number_reflns         1460
_refine_ls_R_factor_gt           0.0991
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
    Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
    30850.2000    45791.9000    0.0000
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1678
_reflns_number_gt                1450
_reflns_number_total             2278
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja210019y_si_001.cif
_cod_data_source_block           '__111007-NiCutmdt-2'
_cod_original_cell_volume        555.7(2)
_cod_database_code               4117308