Halide and hydroxide anion binding in water.
Savastano, M.; Bazzicalupi, C.; García-Gallarín, C; Giorgi, C.; López de la Torre, M D; Pichierri, F.; Bianchi, A.; Melguizo, M.; Dalton transactions (Cambridge, England : 2003) 47 (2018) 3329–3338; doi:10.1039/c7dt04430e

data_7045378
_publ_section_title
;
 Halide and hydroxide anion binding in water.
;
_journal_issue                   10
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'Dalton transactions (Cambridge, England : 2003)'
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_journal_page_last               3338
_journal_paper_doi               10.1039/c7dt04430e
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_journal_year                    2018
_chemical_formula_sum            'C14 H26 Br2 N6 O2'
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2017-11-23 deposited with the CCDC.
2018-01-23 downloaded from the CCDC.
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CrysAlis CCD, Oxford Diffraction Ltd.,
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CrysAlis RED, Oxford Diffraction Ltd.,
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_diffrn_reflns_av_R_equivalents  0.0344
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_diffrn_source                   'Enhance (Cu) X-ray Source'
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CrysAlisPro, Agilent Technologies,
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Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            'deep pink'
_exptl_crystal_density_diffrn    1.652
_exptl_crystal_description       prismatic
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_refine_ls_restrained_S_all      1.149
_refine_ls_R_factor_all          0.0419
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0387P)^2^+2.2688P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                1525
_reflns_number_total             1770
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt04430e1.cif
_cod_data_source_block           shelx_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7045377--7045381.cif.'
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