Tuning the Molecular and Cationic Affinity in a Series of Multifunctional Metal-Organic Frameworks Based on Dodecanuclear Zn(II) Carboxylate Wheels.
Lysova, Anna A.; Samsonenko, Denis G.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Khrustalev, Victor N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.; Journal of the American Chemical Society 141 (2019) 17260–17269; doi:10.1021/jacs.9b08322

data_4127891
_publ_section_title
;
 Tuning the Molecular and Cationic Affinity in a Series of Multifunctional
 Metal-Organic Frameworks Based on Dodecanuclear Zn(II) Carboxylate
 Wheels.
;
_journal_issue                   43
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              17260
_journal_page_last               17269
_journal_paper_doi               10.1021/jacs.9b08322
_journal_volume                  141
_journal_year                    2019
_chemical_formula_sum            'C31.4 H48.6 N3.8 O15.8 S2 Zn4'
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_space_group_name_Hall           '-R 3 2"'
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_symmetry_space_group_name_Hall  '-R 3 2"'
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0473P)^2^+15.9630P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_total             2656
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_original_cell_volume        10174.6(7)
_cod_database_code               4127891
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.625
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