Cooperativity and complexity in the binding of anions and cations to a tetratopic ion-pair host.
Howe, Ethan N. W.; Bhadbhade, Mohan; Thordarson, Pall; Journal of the American Chemical Society 136 (2014) 7505–7516; doi:10.1021/ja503383e

data_4121812
_publ_section_title
;
 Cooperativity and complexity in the binding of anions and cations to a
 tetratopic ion-pair host.
;
_journal_issue                   20
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7505
_journal_page_last               7516
_journal_paper_doi               10.1021/ja503383e
_journal_volume                  136
_journal_year                    2014
_chemical_formula_moiety         'C18 H30 Ca1 N2 O7, 2(Cl O4)'
_chemical_formula_sum            'C18 H30 Ca Cl2 N2 O15'
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_chemical_name_systematic
;
 ?
;
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;
SHELXS97 (Sheldrick, 2008) and OLEX-2 (Dolomanov <i>et al</i>., 2009)
;
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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^)+(0.0904P)^2^+6.7778P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja503383e_si_003.cif
_cod_data_source_block           Host+2[Ca(ClO4)2].4H2O
_cod_depositor_comments
'Adding full bibliography for 4121812--4121813.cif.'
_cod_original_cell_volume        1335.0(5)
_cod_database_code               4121812
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_shelx_res_checksum              93820
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