Ferromagnetic Anomaly Associated with the Antiferromagnetic Transitions in (Donor)[Ni(mnt)2]-Type Charge-Transfer Salts
Hideyasu Nakajima; Mao Katsuhara; Minoru Ashizawa; Tadashi Kawamoto; Takehiko Mori; Inorganic Chemistry 43 (2004) 6075–6082; doi:10.1021/ic049670m

data_4311621
_publ_contact_author_address
;
Department of Organic and Polymeric Materials, Tokyo Institute of Technology
2-12-1 O-okayama, Meguro-ku, Tokyo, 152-8552, Japan
;
_publ_contact_author_email       ' takehiko@o.cc.titech.ac.jp '
_publ_contact_author_fax         ' +81-3-5734-2876 '
_publ_contact_author_name        ' Takehiko MORI'
_publ_contact_author_phone       ' +81-3-5734-2427 '
_publ_section_title
;
 Ferromagnetic Anomaly Associated with the Antiferromagnetic Transitions
 in (Donor)[Ni(mnt)2]-Type Charge-Transfer Salts
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6075
_journal_page_last               6082
_journal_paper_doi               10.1021/ic049670m
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C20 H12 N4 Ni S8'
_chemical_formula_weight         623.52
_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             'Mon May 24 16:34:38 2004'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                96.37(1)
_cell_angle_beta                 98.09(2)
_cell_angle_gamma                105.10(2)
_cell_formula_units_Z            1
_cell_length_a                   7.878(2)
_cell_length_b                   13.391(3)
_cell_length_c                   5.9288(9)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      14.9
_cell_measurement_theta_min      12.7
_cell_volume                     590.7(2)
_computing_cell_refinement       WinAFC
_computing_data_collection       WinAFC
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 1.0012
_diffrn_measured_fraction_theta_max 1.0012
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.027
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3749
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_standards_decay_%        1.11
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.548
_exptl_absorpt_correction_T_max  0.734
_exptl_absorpt_correction_T_min  0.689
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.753
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.56
_refine_diff_density_min         -0.32
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     151
_refine_ls_number_reflns         3444
_refine_ls_R_factor_gt           0.0437
_refine_ls_shift/su_max          0.0002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.06100(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1335
_reflns_number_gt                2175
_reflns_number_total             3444
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic049670msi20040604_051905_1.cif
_cod_data_source_block           (HMTTF)[Ni(mnt)2]
_cod_original_formula_sum        'C20 H12 N4 Ni S8 '
_cod_database_code               4311621