Synthesis and structure of an aryl-tellurenium(II) cation; [4-<i>tert</i>-butyl-2,6-bis-(1-pentyl-1<i>H</i>-benz-imidazol-2-yl-κ<i>N</i><sup>3</sup>)phenyl-κ<i>C</i><sup>1</sup>]tellurium(II) (1,4-dioxane)tri-iodido-mercurate(II).
Rani, Varsha; Singh, Harkesh B.; Butcher, Ray J.; Acta crystallographica. Section E, Crystallographic communications 74 (2018) 390–393; doi:10.1107/S2056989018002645

data_2311564
_publ_section_title
;
 Synthesis and structure of an aryl-tellurenium(II) cation;
 [4-<i>tert</i>-butyl-2,6-bis-(1-pentyl-1<i>H</i>-benz-imidazol-2-yl-\k<i>N</i><sup>3</sup>)phenyl-\k<i>C</i><sup>1</sup>]tellurium(II)
 (1,4-dioxane)tri-iodido-mercurate(II).
;
_journal_coeditor_code           ZS2398
_journal_issue                   'Pt 3'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              390
_journal_page_last               393
_journal_paper_doi               10.1107/S2056989018002645
_journal_volume                  74
_journal_year                    2018
_chemical_formula_iupac          '(C34 H41 N4 Te) [Hg I3 (C4 H8 O2)]'
_chemical_formula_moiety         'C34 H41 N4 Te +, C4 H8 Hg I3 O2 -'
_chemical_formula_sum            'C38 H49 Hg I3 N4 O2 Te'
_chemical_formula_weight         1302.70
_chemical_name_systematic
;[4-<i>tert</i>-Butyl-2,6-bis(1-pentyl-1<i>H</i>-benzimidazol-2-yl-\k<i>N</i>^3^)phenyl-\k<i>C</i>^1^]tellurium(II)
(1,4-dioxane)triiodidomercurate(II)
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
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_cell_angle_alpha                90
_cell_angle_beta                 95.152(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.6074(2)
_cell_length_b                   25.4943(6)
_cell_length_c                   17.4326(3)
_cell_measurement_reflns_used    22849
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.27
_cell_measurement_theta_min      2.021
_cell_volume                     4252.59(15)
_computing_cell_refinement
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_data_collection
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_data_reduction
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CrysAlis PRO (Rigaku OD, 2015)
;
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008)
;
_computing_publication_material
;
SHELXTL (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXL2017 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.859
_diffrn_measurement_device_type  'Rigaku CCD dual source '
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0413
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            58708
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.179
_diffrn_reflns_theta_min         2.128
_exptl_absorpt_coefficient_mu    6.505
_exptl_absorpt_correction_T_max  0.56663
_exptl_absorpt_correction_T_min  0.23835
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Rigaku OD, 2015)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.035
_exptl_crystal_description       prism
_exptl_crystal_F_000             2448
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.449
_refine_diff_density_min         -1.534
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     448
_refine_ls_number_reflns         12625
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.137
_refine_ls_R_factor_all          0.0491
_refine_ls_R_factor_gt           0.0414
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0267P)^2^+9.9235P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0770
_refine_ls_wR_factor_ref         0.0795
_reflns_number_gt                11288
_reflns_number_total             12625
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            zs2398sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2311564
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