Unique structural and physical properties of Ni(dmit)2 anion radical salts characterized by short Te???S contacts (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)
Fujiwara, Masahiro; Kato, Reizo; Journal of the Chemical Society, Dalton Transactions  (2002) 3763–; doi:10.1039/b203834j

data_7011774
_publ_section_title
;
 Unique structural and physical properties of Ni(dmit)2 anion radical
 salts characterized by short Te???S contacts (dmit =
 1,3-dithiole-2-thione-4,5-dithiolate)
;
_journal_issue                   19
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3763
_journal_paper_doi               10.1039/b203834j
_journal_year                    2002
_chemical_formula_sum            'C15 H9 Ni2 S20 Te'
_chemical_formula_weight         1075.44
_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'
_cell_angle_alpha                92.49(8)
_cell_angle_beta                 110.4(1)
_cell_angle_gamma                95.36(4)
_cell_formula_units_Z            2
_cell_length_a                   7.473(2)
_cell_length_b                   36.11(1)
_cell_length_c                   6.482(2)
_cell_measurement_temperature    273.2
_cell_volume                     1626.9(14)
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR97
_diffrn_measured_fraction_theta_full 0.4928
_diffrn_measured_fraction_theta_max 0.4928
_diffrn_measurement_device_type  'MAC Science DIP320S'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       48
_diffrn_reflns_limit_k_min       -48
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4193
_diffrn_reflns_theta_full        28.84
_diffrn_reflns_theta_max         28.84
_exptl_absorpt_coefficient_mu    3.334
_exptl_absorpt_correction_T_max  0.920
_exptl_absorpt_correction_T_min  0.753
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details   '(Walker & Stuart, 1983)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.196
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.025
_refine_diff_density_max         0.83
_refine_diff_density_min         -0.70
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.378
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     343
_refine_ls_number_reflns         2827
_refine_ls_R_factor_gt           0.0413
_refine_ls_shift/su_max          0.0007
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00076|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0540
_reflns_number_gt                2827
_reflns_number_total             4193
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            b203834j.txt
_cod_data_source_block           Me3Te[Ni(dmit)2]2
_cod_original_cell_volume        1626(1)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C15 H9 Ni2 S20 Te '
_cod_database_code               7011774