1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis
Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.; Acta Crystallographica Section B 73 (2017) –; doi:10.1107/S2052520617000944

data_2108032
_publ_section_title
;
 1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks
 and NMR spectroscopic analysis
;
_journal_coeditor_code           XM5005
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2052520617000944
_journal_volume                  73
_journal_year                    2017
_chemical_formula_moiety         'C19 H18 P, 2(C12 F3 I3), 2(C2 H3N), Br'
_chemical_formula_sum            'C47 H24 Br F6 I6 N2 P'
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_space_group_name_Hall           '-C 2yc'
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_computing_cell_refinement       'APEX II (Bruker, 2009)'
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_diffrn_measured_fraction_theta_max 0.977
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_diffrn_measurement_method       '\f and \w scans'
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_exptl_absorpt_coefficient_mu    4.375
_exptl_absorpt_correction_T_max  0.745372
_exptl_absorpt_correction_T_min  0.334950
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   TWINABS
_exptl_crystal_colour            colourless
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.1800P)^2^+600.5853P] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_ref         0.3836
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_reflns_threshold_expression     'I > 2\s(I)'
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