Cation-based Structural Tuning of Pyridine Dipyrrolate Cages and Morphological Control over Their Self-assembly.
Zhang, Huacheng; Lee, Juhoon; Brewster, 2nd, James T; Chi, Xiaodong; Lynch, Vincent M.; Sessler, Jonathan L.; Journal of the American Chemical Society 141 (2019) 4749–4755; doi:10.1021/jacs.9b01042

data_4128937
_publ_section_title
;
 Cation-based Structural Tuning of Pyridine Dipyrrolate Cages and
 Morphological Control over Their Self-assembly.
;
_journal_issue                   11
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4749
_journal_page_last               4755
_journal_paper_doi               10.1021/jacs.9b01042
_journal_volume                  141
_journal_year                    2019
_chemical_formula_moiety
; 
8 C23 H25 N3 O4 2-, 8 Zn 2+, 2 H2 O, 2 H O 1-, 
 2 C16 H36 N 1+, 8 C3 H7 N O
;
_chemical_formula_sum            'C240 H334 N34 O44 Zn8'
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'CrysAlisPro V 1.171.37.31, Agilent Technologies'
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'CrysAlisPro V 1.171.37.31, Agilent Technologies'
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;

SUPERFLIP.  Palatinus, L. and Chapuis, G., J. Appl. Cryst. 40, 786-790.
;
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;
CrysAlisPro 1.171.38.27t (Agilent, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
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_refine_diff_density_min         -1.595
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0888P)^2^+16.5218P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_gt                13140
_reflns_number_total             23543
_reflns_threshold_expression     'I > 2\s(I)'
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