Synthesis and structural features of the first thallium(I) selenoether derivatives
Hill, Nicholas J.; Levason, William; Light, Mark E.; Reid, Gillian; Chemical Communications (Cambridge, United Kingdom)  (2003) 110–111; doi:10.1039/b209729j

data_7103632
_publ_section_title
;
 Synthesis and structural features of the first thallium(I) selenoether
 derivatives
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   1
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              110
_journal_page_last               111
_journal_paper_doi               10.1039/b209729j
_journal_year                    2003
_chemical_compound_source        MeCN
_chemical_formula_moiety         'C5 H12 F6 P Se2 Tl '
_chemical_formula_structural     '[Tl{MeSe(CH2)3SeMe}]PF6'
_chemical_formula_sum            'C5 H12 F6 P Se2 Tl'
_chemical_formula_weight         579.40
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
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_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.932(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.9081(3)
_cell_length_b                   7.9111(3)
_cell_length_c                   10.4005(4)
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_cell_measurement_temperature    120.0(1)
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     636.62(4)
_computing_cell_refinement       'Nonius Kappa CCD Diffractometer Control'
_computing_data_collection       'Nonius Kappa CCD Diffractometer Control'
_computing_data_reduction
'teXsan for Windows version 1.06 (MSC, 1997-1999)'
_computing_publication_material
'teXsan for Windows version 1.06 (MSC, 1997-1999)'
_computing_structure_refinement
'teXsan for Windows version 1.06 (MSC, 1997-1999)'
_computing_structure_solution
;
DIRDIF92 PATTY (Beurskens, 1992)
;
_diffrn_ambient_temperature      120.0(1)
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_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_limit_l_min       -13
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_diffrn_reflns_reduction_process 'Lp corrections applied'
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_diffrn_standards_decay_%        0.00
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_exptl_absorpt_correction_type   multi-scan
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_refine_ls_abs_structure_details Flack
_refine_ls_abs_structure_Flack   0.1035(99)
_refine_ls_extinction_coef       -
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_refine_ls_goodness_of_fit_all   1.528
_refine_ls_goodness_of_fit_ref   1.530
_refine_ls_hydrogen_treatment    noref
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_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0404
_refine_ls_R_factor_gt           0.0400
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo)]'
_refine_ls_weighting_scheme      sigma
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_refine_ls_wR_factor_ref         0.0530
_reflns_number_gt                737
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_reflns_threshold_expression     I>2.00\s(I)
_cod_data_source_file            b209729j.txt
_cod_data_source_block           '_02njh014.inf'
_cod_original_sg_symbol_H-M      'C 2        '
_cod_original_formula_sum        'C5 H12 F6 P Se2 Tl '
_cod_database_code               7103632