Structure of bis(diethyldithiocarbamato)diiodotellurium(IV)
Kumar, R. K.; Aravamudan, G.; Udupa, M. R.; Seshasayee, M.; Hamor, T. A.; Acta Crystallographica Section C 49 (1993) 1328–1330; doi:10.1107/S0108270192012745

data_2001524
_publ_section_title
;
 Structure of bis(diethyldithiocarbamato)diiodotellurium(IV)
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1328
_journal_page_last               1330
_journal_paper_doi               10.1107/S0108270192012745
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C10 H20 I2 N2 S4 Te'
_chemical_formula_weight         677.9
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           'Cromer & Liberman (1970)'
_cell_angle_alpha                108.02(4)
_cell_angle_beta                 93.66(3)
_cell_angle_gamma                118.44(3)
_cell_formula_units_Z            2
_cell_length_a                   10.809(3)
_cell_length_b                   10.947(6)
_cell_length_c                   10.955(4)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    298
_cell_measurement_theta_max      24.6
_cell_measurement_theta_min      8
_cell_volume                     1048.8(9)
_diffrn_measurement_device       CAD-4
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.04
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -1
_diffrn_reflns_number            5560
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        <3
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.435
_exptl_absorpt_correction_type   'not applied'
_exptl_crystal_colour            'deep red'
_exptl_crystal_density_diffrn    2.14
_exptl_crystal_density_meas      2.16
_exptl_crystal_density_method    flotation
_exptl_crystal_description       'stubby needles'
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.4
_refine_diff_density_max         1.34
_refine_diff_density_min         -1.43
_refine_ls_goodness_of_fit_obs   0.995
_refine_ls_number_parameters     170
_refine_ls_number_reflns         4049
_refine_ls_R_factor_obs          0.042
_refine_ls_shift/esd_max         0.11
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/(\s^2^|F~o~|+0.001943|F~c~|^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.051
_reflns_number_observed          4049
_reflns_number_total             4805
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            ab1024.cif
_cod_data_source_block           ab1024_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value
'1/(\s^2^|F~o~|+0.001943|F~c~|^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^|F~o~|+0.001943|F~c~|^2^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1048.78
_cod_database_code               2001524