<i>cis</i>-(Diethyldithiocarbamato)diiodo(phenyl)tellurium(IV), PhTe(S~2~CNEt~2~)I~2~, and its Methoxy-Substituted Mixed Br/I Analogue <i>cis</i>-Bis(0.4-bromo/0.6-iodo)(diethyldithiocarbamato)(4-methoxyphenyl)tellurium(IV), <i>p</i>-MeOC~6~H~4~Te(S~2~CNEt~2~)(Br~0.4~I~0.6~)~2~
Husebye, S.; Kudis, S.; Lindeman, S. V.; Strauch, P.; Acta Crystallographica Section C 51 (1995) 1870–1875; doi:10.1107/S0108270195004239

data_2003895
_publ_section_title
;<i>cis</i>-(Diethyldithiocarbamato)diiodo(phenyl)tellurium(IV),
 PhTe(S~2~CNEt~2~)I~2~, and its Methoxy-Substituted Mixed Br/I Analogue
 <i>cis</i>-Bis(0.4-bromo/0.6-iodo)(diethyldithiocarbamato)(4-methoxyphenyl)tellurium(IV),
 <i>p</i>-MeOC~6~H~4~Te(S~2~CNEt~2~)(Br~0.4~I~0.6~)~2~
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1870
_journal_page_last               1875
_journal_paper_doi               10.1107/S0108270195004239
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C12 H17 Br0.8 I1.2 N O S2 Te'
_chemical_formula_weight         599.19
_chemical_name_systematic
;
 cis-Bis(0.4bromo/0.6iodo)diethyldithiocarbamato-4-methoxyphenyltellurium(IV)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL
_cell_angle_alpha                66.95(2)
_cell_angle_beta                 65.934(11)
_cell_angle_gamma                75.94(2)
_cell_formula_units_Z            2
_cell_length_a                   9.9482(12)
_cell_length_b                   10.428(3)
_cell_length_c                   11.004(2)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      14.8
_cell_measurement_theta_min      12.6
_cell_volume                     954.4(4)
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1985)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Enraf-Nonius CAD4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71069
_diffrn_reflns_av_R_equivalents  .0000
_diffrn_reflns_av_sigmaI/netI    0.0167
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -013
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -013
_diffrn_reflns_number            5544
_diffrn_reflns_theta_max         29.96
_diffrn_reflns_theta_min         3.25
_diffrn_standards_decay_%        4.4
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.386
_exptl_absorpt_correction_T_max  .495
_exptl_absorpt_correction_T_min  .151
_exptl_absorpt_correction_type   'numerical (Gaussian method)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.085
_exptl_crystal_description       'flat prism'
_exptl_crystal_F_000             559
_exptl_crystal_size_max          1.04
_exptl_crystal_size_mid          .34
_exptl_crystal_size_min          .14
_refine_diff_density_max         1.722
_refine_diff_density_min         -01.903
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.059
_refine_ls_goodness_of_fit_obs   1.108
_refine_ls_hydrogen_treatment
'H atoms riding and rotating model with Uiso refined by groups'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     199
_refine_ls_number_reflns         5521
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.198
_refine_ls_restrained_S_obs      1.108
_refine_ls_R_factor_all          0.0555
_refine_ls_R_factor_obs          .0427
_refine_ls_shift/esd_max         .410
_refine_ls_shift/esd_mean        0.026
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;calc w = 1/[\s^2^(Fo^2^) + (0.0791P)^2^ + 1.5737P] where
P = (Fo^2^ + 2Fc^2^)/3
;
_refine_ls_wR_factor_all         .1492
_refine_ls_wR_factor_obs         .1245
_reflns_number_observed          4485
_reflns_number_total             5544
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            fg1060.cif
_cod_data_source_block           2
_cod_original_formula_sum        'C12 H17 Br0.80 I1.20 N O S2 Te'
_cod_database_code               2003895