Novel Stable Metallic Salts Based on a Donor Molecule Containing peri-Ditellurium Bridges, TMTTeN
Emiko Arai; Hideki Fujiwara; Hayao Kobayashi; Akiko Kobayashi; Kazuo Takimiya; Tetsuo Otsubo; Fumio Ogura; Inorganic Chemistry 37 (1998) 2850–2851; doi:10.1021/ic9802247

data_4322842
_publ_contact_author
;
Prof. Hayao Kobayashi
Institute for Molecular Science
Myodaiji, Okazaki 444-8585 Japan
;
_publ_contact_author_email       hayao@ims.ac.jp
_publ_contact_author_fax         81-564-54-2254
_publ_contact_author_phone       81-564-55-7410
_publ_section_title
;
 Novel Stable Metallic Salts Based on a Donor Molecule Containing
 peri-Ditellurium Bridges, TMTTeN
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2850
_journal_page_last               2851
_journal_paper_doi               10.1021/ic9802247
_journal_volume                  37
_journal_year                    1998
_chemical_formula_sum            'C3.75 H3 Au0.12 N0.25 Te'
_chemical_formula_weight         202.80
_space_group_IT_number           138
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      138
_symmetry_space_group_name_Hall  '-P 4ac 2ac'
_symmetry_space_group_name_H-M   'P 42/n c m :2'
_audit_creation_date             'Thu Mar 19 12:59:01 1998'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   18.322(1)
_cell_length_b                   18.3220
_cell_length_c                   5.350(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.4
_cell_volume                     1796.0(10)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control'
_computing_data_collection       'Rigaku/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SHELXS86
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device       'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      -0.04161
_diffrn_orient_matrix_UB_12      -0.03489
_diffrn_orient_matrix_UB_13      0.01884
_diffrn_orient_matrix_UB_21      -0.03531
_diffrn_orient_matrix_UB_22      0.04129
_diffrn_orient_matrix_UB_23      -0.01780
_diffrn_orient_matrix_UB_31      -0.00084
_diffrn_orient_matrix_UB_32      -0.00752
_diffrn_orient_matrix_UB_33      -0.18511
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.00
_diffrn_reflns_av_sigmaI/netI    0.053
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            1586
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         2.22
_diffrn_standards_decay_%        0.39
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    10.340
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.918
_exptl_absorpt_correction_type   '\y scans(North,Phillips & Mathews,1968)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    3.000
_exptl_crystal_density_meas      ?
_exptl_crystal_description       stick
_exptl_crystal_F_000             1419.68
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.070
_refine_diff_density_max         3.23
_refine_diff_density_min         -1.76
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   4.841
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    3
_refine_ls_number_parameters     48
_refine_ls_number_reflns         947
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0423
_refine_ls_shift/esd_max         0.0940
_refine_ls_shift/esd_mean        0.0200
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00000|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0439
_reflns_number_observed          947
_reflns_number_total             1586
_reflns_observed_criterion       >3.0sigma(I)
_cod_data_source_file            ic9802247_2.cif
_cod_data_source_block           TMTTeN-Au(CN)2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(Fo) +
0.00000|Fo|^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1/[\s^2^(Fo) + 0.00000|Fo|^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1795.9(9)
_cod_original_sg_symbol_H-M      'P 42/n c m '
_cod_original_formula_sum        'C3.75 H3 Au0.12 N0.25 Te '
_cod_database_code               4322842