Competition between hydrogen bonds and halogen bonds: a structural study
Gamekkanda, Janaka C.; Sinha, Abhijeet S.; Desper, John; Đaković, Marijana; Aakeröy, Christer B.; New Journal of Chemistry 42 (2018) 10539–; doi:10.1039/C8NJ00537K

data_7057378
_publ_section_title
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 Competition between hydrogen bonds and halogen bonds: a structural study
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_journal_issue                   13
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              10539
_journal_paper_doi               10.1039/C8NJ00537K
_journal_volume                  42
_journal_year                    2018
_chemical_formula_moiety         'C10 H10 I2 O2, H2 O '
_chemical_formula_sum            'C10 H12 I2 O3'
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2018-01-29 deposited with the CCDC.
2018-04-16 downloaded from the CCDC.
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CrysAlisPro, Agilent Technologies, Version 1.171.37.35 
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CrysAlisPro, Agilent Technologies, Version 1.171.37.35
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CrysAlisPro, Agilent Technologies, Version 1.171.37.35 
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Mercury (Bruno et al., 2002)
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SHELXL-2014/7 (Sheldrick, 2013) and PLATON (Spek, 2003)
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SHELXL-2014/7 (Sheldrick, 2014)
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SHELXS-2014/7 (Sheldrick, 2014)
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_diffrn_ambient_temperature      296(2)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_colour            'pale yellow'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0300P)^2^+0.4460P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                891
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'Adding full bibliography for 7057378--7057386.cif.'
_cod_original_cell_volume        641.23(10)
_cod_database_code               7057378
_diffrn_measurment_method        '\w scan'
_shelx_res_checksum              85422