Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages.
Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay; Journal of the American Chemical Society 138 (2016) 2046–2054; doi:10.1021/jacs.5b13190

data_4124909
_publ_section_title
;
 Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of
 Coordination Cages.
;
_journal_issue                   6
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2046
_journal_page_last               2054
_journal_paper_doi               10.1021/jacs.5b13190
_journal_volume                  138
_journal_year                    2016
_chemical_formula_moiety         'C24 H32 B2 Fe N8 O6, 2.5(C H4 O), 2(Cl)'
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2015-04-08 # Formatted by publCIF

;
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
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(compiled Dec  3 2012,18:21:49)
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'synchroton, beamline BM01A/ESRF, Swiss-Norwegian Beamline'
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CrysAlisPro, Agilent Technologies, 
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Empirical absorption correction using spherical harmonics, 
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014)'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0819P)^2^+5.8485P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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'Adding full bibliography for 4124901--4124909.cif.'
_cod_original_cell_volume        3784.00(6)
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