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International
Tables for Crystallography Volume G Definition and exchange of crystallographic data Edited by J. R. Hester and B. McMahon © International Union of Crystallography 2026 |
International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001011 Chapter 4.2 Core dictionary (coreCIF) |
Core dictionary version 3.3.0
_exptl_absorpt.special_details
Name:_exptl_absorpt.special_details
Alias:
_exptl_absorpt_special_details
Definition:
Details of the absorption correction process applied to the
measured intensities that cannot otherwise be given using
other data items from the EXPTL_ABSORPT category.
Examples:;
X-ray beam inhomogeneity and goniometer imperfection account
for much of the difference between estimated values of Tmin
and Tmax and the _exptl_absorpt.correction_* values.
;
| Text modified from: Petty, Anthony J. et al. (2019). Computationally aided design of a high- performance organic semiconductor: the development of a universal crystal engineering core. Chem. Sci., 10, 10543-10649. https://doi.org/10.1039/C9SC02930C; COD ID 1552381. |
;
Neutron linear absorption coefficient is wavelength
dependent. The value of 0.2216 (mm^-1^) shown in
_exptl_absorpt.coefficient_mu is the sample absorption
coefficient for a neutron wavelength at 1.0 Å.
;
| Text modified from: Lengyel, Jeff et al. (2019). Antiferroelectric phase transition in a proton-transfer salt of squaric acid and 2,3-dimethylpyrazine. J. Am. Chem. Soc., 141, 16279-16287. https://doi.org/10.1021/jacs.9b04473; COD ID 4127699. |
Type: Text
Category:
exptl_absorpt
