Metal and Organic Templates Together Control the Size of Covalent Macrocycles and Cages.
Lavendomme, Roy; Ronson, Tanya K.; Nitschke, Jonathan R.; Journal of the American Chemical Society 141 (2019) 12147–12158; doi:10.1021/jacs.9b06182

data_4128576
_publ_section_title
;
 Metal and Organic Templates Together Control the Size of Covalent
 Macrocycles and Cages.
;
_journal_issue                   30
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12147
_journal_page_last               12158
_journal_paper_doi               10.1021/jacs.9b06182
_journal_volume                  141
_journal_year                    2019
_chemical_formula_moiety         'C114 H78 Cl6 N22 Pd6, 6(As F6), 4(C6 H6)'
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;
DIALS 2theta refinement, DIALS 1.7.1-g93fc14f4-release
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;
aimless (Evans, P. R. and Murshudov, G. N., 2013)
ccp4 (Winn, M. D. et al., 2011)
DIALS 1.7.1-g93fc14f4-release
pointless (Evans, P., 2006)
XIA2 0.5.432-ga4ad5612-dials-1.7 (Winter, G., 2010)
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;
CCP4 7.0.052: AIMLESS, version 0.6.2 : 15/01/18
Scaling & analysis of unmerged intensities, absorption correction using spherical harmonics
;
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+150.0000P] where P=(Fo^2^+2Fc^2^)/3'
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