Structure of a diorganotelluroxonium(IV) cation, {[2,6-(CH~2~NMe~2~)~2~C~6~H~3~Te(μ-O)]~2~}^2+^, with the trichlorido(dimethyl sulfoxide)platinum(II) anion
Gupta, Anand; Deka, Rajesh; Butcher, Ray J.; Singh, Harkesh B.; Acta Crystallographica Section E 76 (2020) 1520–1524; doi:10.1107/S2056989020011482

data_2243561
_publ_section_title
;
 Structure of a diorganotelluroxonium(IV) cation,
 {[2,6-(CH~2~NMe~2~)~2~C~6~H~3~Te(\m-O)]~2~}^2+^, with the
 trichlorido(dimethyl sulfoxide)platinum(II) anion
;
_journal_coeditor_code           HB7941
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1520
_journal_page_last               1524
_journal_paper_doi               10.1107/S2056989020011482
_journal_volume                  76
_journal_year                    2020
_chemical_formula_iupac          '(C24 H38 N4 O2 Te2) [Pd Cl3 (C2 H6 O S)]2'
_chemical_formula_moiety         'C24 H38 N4 O2 Te2 2+, 2(C2 H6 Cl3 O Pd S -)'
_chemical_formula_sum            'C28 H50 Cl6 N4 O4 Pd2 S2 Te2'
_chemical_formula_weight         1251.54
_chemical_name_systematic
;
Di-\m-oxido-bis{2,6-bis[(dimethylamino)methyl]phenyl-\k<i>C</i>^1^}tellurium(IV)
bis[trichlorido(dimethyl sulfoxide-\k<i>S</i>)platinate(II)]
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                73.82(3)
_cell_angle_beta                 83.55(3)
_cell_angle_gamma                88.86(3)
_cell_formula_units_Z            2
_cell_length_a                   9.6333(19)
_cell_length_b                   12.770(3)
_cell_length_c                   17.956(4)
_cell_measurement_reflns_used    4389
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      3.0
_cell_volume                     2107.8(9)
_computing_cell_refinement
;
<i>CrystalClear-SM Expert</i> (Rigaku, 2012)
;
_computing_data_collection
;
<i>CrystalClear-SM Expert</i> (Rigaku, 2012)
;
_computing_data_reduction
;
<i>CrystalClear-SM Expert</i> (Rigaku, 2012)
;
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008)
;
_computing_publication_material
;
SHELXTL (Sheldrick, 2008)
;
_computing_structure_refinement
;
<i>SHELXL2018/3</i> (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Rigaku Saturn 724 Dual Source CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0276
_diffrn_reflns_av_unetI/netI     0.0400
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            16345
_diffrn_reflns_theta_full        25.350
_diffrn_reflns_theta_max         25.350
_diffrn_reflns_theta_min         3.009
_exptl_absorpt_coefficient_mu    2.726
_exptl_absorpt_correction_T_max  0.7031
_exptl_absorpt_correction_T_min  0.4169
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
(NUMABS; Rigaku, 1999)
;
_exptl_crystal_colour            'dark purple'
_exptl_crystal_density_diffrn    1.972
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1216
_exptl_crystal_size_max          0.389
_exptl_crystal_size_mid          0.198
_exptl_crystal_size_min          0.139
_refine_diff_density_max         0.719
_refine_diff_density_min         -0.946
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.987
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     445
_refine_ls_number_reflns         7532
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.987
_refine_ls_R_factor_all          0.0264
_refine_ls_R_factor_gt           0.0222
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0225P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0506
_refine_ls_wR_factor_ref         0.0516
_reflns_number_gt                6351
_reflns_number_total             7532
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            hb7941sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        2107.8(8)
_cod_database_code               2243561
_shelx_estimated_absorpt_t_min   0.417
_shelx_estimated_absorpt_t_max   0.703
_shelx_hkl_checksum              93835
_shelx_res_checksum              49841
_cod_database_fobs_code 2243561