Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic aldehydes and 1,4-diiodotetrafluorobenzene
Nemec, Vinko; Fotović, Luka; Vitasović, Toni; Cinčić, Dominik; CrystEngComm 21 (2019) 3251–; doi:10.1039/C9CE00340A

data_7232578
_publ_section_title
;
 Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic
 aldehydes and 1,4-diiodotetrafluorobenzene
;
_journal_issue                   21
_journal_name_full               CrystEngComm
_journal_page_first              3251
_journal_paper_doi               10.1039/C9CE00340A
_journal_volume                  21
_journal_year                    2019
_chemical_formula_moiety         'C6 F4 I2, 2(C9 H10 O3)'
_chemical_formula_sum            'C24 H20 F4 I2 O6'
_chemical_formula_weight         734.20
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
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;
2019-03-08 deposited with the CCDC.    2019-04-08 downloaded from the CCDC.
;
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_diffrn_reflns_point_group_measured_fraction_full 0.995
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;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0354P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7232576--7232580.cif.'
_cod_original_cell_volume        1274.04(9)
_cod_database_code               7232578
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              86639