High Conductivity of the New Supramoleclar Copper Complex with Oxidized Pyrazinoselenathiafulvalene (=pyra-STF) as the Ligand, [CuICl1.5(pyra-STF)0.5+]
Shun Ichikawa; Hatsumi Mori; Inorganic Chemistry 48 (2009) 4643–4645; doi:10.1021/ic9004449

data_4302252
_publ_section_title
;
High Conductivity of the New Supramoleclar Copper Complex with Oxidized
Pyrazinoselenathiafulvalene (=pyra-STF) as the Ligand,
[CuICl1.5(pyra-STF)0.5+]
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4643
_journal_page_last               4645
_journal_paper_doi               10.1021/ic9004449
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C8 H4 Cl1.50 Cu N2 S2 Se2 '
_chemical_formula_sum            'C8 H4 Cl1.5 Cu N2 S2 Se2'
_chemical_formula_weight         466.90
_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                90.71(5)
_cell_angle_beta                 103.86(5)
_cell_angle_gamma                83.88(4)
_cell_formula_units_Z            2
_cell_length_a                   7.523(4)
_cell_length_b                   11.723(6)
_cell_length_c                   6.955(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    120.1
_cell_measurement_theta_max      17.5
_cell_measurement_theta_min      15.1
_cell_volume                     592.1(6)
_computing_cell_refinement       WinAFC
_computing_data_collection       WinAFC
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.030
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3715
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    8.653
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.619
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             441.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.01
_refine_diff_density_min         -1.73
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     155
_refine_ls_number_reflns         2244
_refine_ls_R_factor_gt           0.0442
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0013Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1058
_reflns_number_gt                2244
_reflns_number_total             3449
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic9004449_si_003.cif
_cod_data_source_block           '_Cytidine_(Rigaku_Master_f'
_cod_original_formula_sum        'C8 H4 Cl1.50 Cu N2 S2 Se2 '
_cod_database_code               4302252