Through-Space Intervalence Charge Transfer as a Mechanism for Charge Delocalization in Metal-Organic Frameworks.
Hua, Carol; Doheny, Patrick W.; Ding, Bowen; Chan, Bun; Yu, Michelle; Kepert, Cameron J.; D'Alessandro, Deanna M; Journal of the American Chemical Society 140 (2018) 6622–6630; doi:10.1021/jacs.8b02638

data_4132266
_publ_section_title
;
 Through-Space Intervalence Charge Transfer as a Mechanism for Charge
 Delocalization in Metal-Organic Frameworks.
;
_journal_issue                   21
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6622
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_journal_paper_doi               10.1021/jacs.8b02638
_journal_volume                  140
_journal_year                    2018
_chemical_formula_sum            'C42 H28 N4 O8 S4 Zn2'
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            Yellow
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;
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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^)+(0.0338P)^2^+40.5296P] where P=(Fo^2^+2Fc^2^)/3'
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;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_database_code               4132266
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_shelx_res_checksum              17129
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