The effect of temperature on interhalogen interactions in a series of isostructural organic systems
Saraswatula, Viswanadha G.; Saha, Binoy K.; New Journal of Chemistry 38 (2014) 897–; doi:10.1039/c3nj01395b

data_7053948
_publ_section_title
;
 The effect of temperature on interhalogen interactions in a series of
 isostructural organic systems
;
_journal_issue                   3
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              897
_journal_paper_doi               10.1039/c3nj01395b
_journal_volume                  38
_journal_year                    2014
_chemical_formula_moiety         'C33 H33 I3 O3, C4 H8 O2'
_chemical_formula_sum            'C37 H41 I3 O5'
_chemical_formula_weight         946.40
_chemical_name_common            'I-ea, 262 K'
_chemical_name_systematic
;
2,4,6-triethyl-1,3,5-tris(4-iodophenoxy)methylbenzene, ethyl acetate 
;
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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Olex2 1.2
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            colourless
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;
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_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.0804
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'calc w=1/[\s^2^(Fo^2^)+(0.0768P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                5861
_reflns_number_total             8923
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_cod_data_source_file            c3nj01395b_2.txt
_cod_data_source_block           I-ea-262K
_cod_original_cell_volume        1923.95(14)
_cod_database_code               7053948