Solvent Effects upon Guest Binding and Dynamics of a Fe(II)4L4 Cage.
Bolliger, Jeanne L.; Ronson, Tanya K.; Ogawa, Masahiro; Nitschke, Jonathan R.; Journal of the American Chemical Society 136 (2014) 14545–; doi:10.1021/ja5077102

data_4122731
_publ_section_title
;
 Solvent Effects upon Guest Binding and Dynamics of a Fe(II)4L4 Cage.
;
_journal_issue                   41
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14545
_journal_paper_doi               10.1021/ja5077102
_journal_volume                  136
_journal_year                    2014
_chemical_formula_moiety         'C168 H144 Fe4 N48, 4(S O4)'
_chemical_formula_sum            'C168 H144 Fe4 N48 O16 S4'
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;
 ?
;
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CrystalClear-SM Expert 3.1 b25 (Rigaku, 20112)
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CrystalClear-SM Expert 3.1 b25 (Rigaku, 20112)
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CrystalClear-SM Expert 3.1 b25 (Rigaku, 20112)
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AFC12 (Right): Kappa 3 circle
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Rigaku Saturn724+ (2x2 bin mode)
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;
 Refined as an inversion twin.
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_refine_ls_abs_structure_Flack   0.44(6)
_refine_ls_extinction_method     none
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_refine_ls_structure_factor_coef Fsqd
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;
 w=1/[\s^2^(Fo^2^)+(0.1578P)^2^]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
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_cod_data_source_file            ja5077102_si_002.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4122731.cif.
;
_cod_original_cell_volume        11774.9(14)
_cod_database_code               4122731
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