A supramolecular superconductor θ-(DIETS)2[Au(CN)4]
Imakubo, Tatsuro; Tajima, Naoya; Tamura, Masafumi; Kato, Reizo; Nishio, Yutaka; Kajita, Koji; Journal of Materials Chemistry 12 (2002) 159–; doi:10.1039/b110303b

data_7204322
_publ_section_title
;
 A supramolecular superconductor \q-(DIETS)2[Au(CN)4]
;
_journal_issue                   2
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              159
_journal_paper_doi               10.1039/b110303b
_journal_volume                  12
_journal_year                    2002
_chemical_formula_moiety         'theta (DIETS)2Au(CN)4'
_chemical_formula_sum            'C20 H8 Au I4 N4 S8 Se4'
_chemical_formula_weight         1581.21
_space_group_IT_number           58
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_audit_creation_date             'Fri Jul 13 13:31:20 2001'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.274(4)
_cell_length_b                   11.114(3)
_cell_length_c                   37.426(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      11.6
_cell_measurement_theta_min      4.2
_cell_volume                     1777.8(17)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SAPI91
_diffrn_measurement_device_type  'Rigaku AFC6S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3091
_diffrn_standards_decay_%        0.80
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    12.216
_exptl_absorpt_correction_T_max  0.295
_exptl_absorpt_correction_T_min  0.191
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.954
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.29
_refine_diff_density_min         -1.09
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.167
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     0
_refine_ls_number_reflns         1905
_refine_ls_R_factor_gt           0.0000
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00040|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0415
_reflns_number_gt                0
_reflns_number_total             0
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b110303b.txt
_cod_data_source_block           theta_(DIETS)2Au(CN)4
_cod_original_cell_volume        1777(1)
_cod_original_sg_symbol_H-M      Pnnm
_cod_original_formula_sum        'C20 H8 Au I4 N4 S8 Se4 '
_cod_database_code               7204322