Probing substrate binding inside a paramagnetic cavity: a NMR spectroscopy toolbox for combined experimental and theoretical investigation.
Sarkar, Sabyasachi; Wu, Chang-Quan; Manna, Santanu; Samanta, Deepannita; Chen, Peter P.-Y.; Rath, Sankar Prasad; Chemical science 15 (2024) 17407–17417; doi:10.1039/d4sc05432f

data_1572676
_publ_section_title
;
 Probing substrate binding inside a paramagnetic cavity: a NMR
 spectroscopy toolbox for combined experimental and theoretical
 investigation.
;
_journal_issue                   42
_journal_name_full               'Chemical science'
_journal_page_first              17407
_journal_page_last               17417
_journal_paper_doi               10.1039/d4sc05432f
_journal_volume                  15
_journal_year                    2024
_chemical_formula_sum            'C110 H143 Fe2 N9 O2'
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;
2024-05-21 deposited with the CCDC.	2024-09-19 downloaded from the CCDC.
;
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'w=1/[\s^2^(Fo^2^)+(0.0371P)^2^+10.0530P] where P=(Fo^2^+2Fc^2^)/3'
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'Adding full bibliography for 1572675--1572677.cif.'
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