Cooperative loading and release behavior of a metal-organic receptor.
Gan, Quan; Ronson, Tanya K.; Vosburg, David A.; Thoburn, John D.; Nitschke, Jonathan R.; Journal of the American Chemical Society 137 (2015) 1770–1773; doi:10.1021/ja5120437

data_4123399
_publ_section_title
;
 Cooperative loading and release behavior of a metal-organic receptor.
;
_journal_issue                   5
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1770
_journal_page_last               1773
_journal_paper_doi               10.1021/ja5120437
_journal_volume                  137
_journal_year                    2015
_chemical_formula_moiety
'C171 H114 Cd4 Co2 F21 N16 O21 S7, (C F3 S O3), 2(C2 H3 N)'
_chemical_formula_sum            'C174 H120 Cd4 Co2 F24 N18 O24 S8'
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;
 ?
;
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_symmetry_space_group_name_Hall  '-C 2yc'
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CrystalClear-SM Expert 2.0 r5 (Rigaku, 2010)
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CrystalClear-SM Expert 2.0 r5 (Rigaku, 2010)
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CrystalClear-SM Expert 2.0 r5 (Rigaku, 2010)
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'Rigaku Saturn 724+ detector on Crystal Logic diffractometer'
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_R_factor_all          0.1504
_refine_ls_R_factor_gt           0.1301
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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^)+(0.2000P)^2^+220.0000P]
 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            ja5120437_si_003.cif
_cod_data_source_block           gf7_sq_d
_cod_depositor_comments
'Adding full bibliography for 4123396--4123399.cif.'
_cod_original_cell_volume        20169.4(17)
_cod_database_code               4123399
_shelx_estimated_absorpt_t_min   0.993
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_shelx_res_checksum              52752
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