Enantiomeric Excess Dependent Splitting of NMR Signal through Dynamic Chiral Inversion and Coligand Exchange in a Coordination Complex.
Takimoto, Kazuyoshi; Ishihara, Shinsuke; Labuta, Jan; Březina, Václav; Payne, Daniel T.; Hill, Jonathan P.; Ariga, Katsuhiko; Sumita, Masato; Mori, Shigeki; Sato, Hisako; The journal of physical chemistry letters 11 (2020) 8164–8169; doi:10.1021/acs.jpclett.0c02284

data_8000456
_publ_section_title
;
 Enantiomeric Excess Dependent Splitting of NMR Signal through Dynamic
 Chiral Inversion and Coligand Exchange in a Coordination Complex.
;
_journal_issue                   19
_journal_name_full               'The journal of physical chemistry letters'
_journal_page_first              8164
_journal_page_last               8169
_journal_paper_doi               10.1021/acs.jpclett.0c02284
_journal_volume                  11
_journal_year                    2020
_chemical_formula_moiety         'C26 H26 N2 O7 Zn2'
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_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       \w
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_diffrn_reflns_av_unetI/netI     0.0366
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.574
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1248
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0316P)^2^+2.9032P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             6212
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_cod_depositor_comments          'Adding full bibliography for 8000456.cif.'
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_shelx_estimated_absorpt_t_min   0.803
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_shelx_res_checksum              70224
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