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Probing systematic errors in experimental charge density by multipole and invariom modeling: a twinned crystal of 1,10-phenanthroline hydrate

, 
Alexander Aleksandrovich Korlyukov 1, 2
Alexander Aleksandrovich Korlyukov
, 
Konstantin Alexandrovich Lyssenko 1
Konstantin Alexandrovich Lyssenko
10.1016/j.mencom.2014.09.013
Published 2014-09-04
Communication , Volume 24, Issue 5, 286-289
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Nelyubina Y. V., Korlyukov A. A., Lyssenko K. A. Probing systematic errors in experimental charge density by multipole and invariom modeling: a twinned crystal of 1,10-phenanthroline hydrate // Mendeleev Communications. 2014. Vol. 24. No. 5. pp. 286-289.
GOST all authors (up to 50) Copy
Nelyubina Y. V., Korlyukov A. A., Lyssenko K. A. Probing systematic errors in experimental charge density by multipole and invariom modeling: a twinned crystal of 1,10-phenanthroline hydrate // Mendeleev Communications. 2014. Vol. 24. No. 5. pp. 286-289.
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TY - JOUR
DO - 10.1016/j.mencom.2014.09.013
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2014.09.013
TI - Probing systematic errors in experimental charge density by multipole and invariom modeling: a twinned crystal of 1,10-phenanthroline hydrate
T2 - Mendeleev Communications
AU - Nelyubina, Yulia Vladimirovna
AU - Korlyukov, Alexander Aleksandrovich
AU - Lyssenko, Konstantin Alexandrovich
PY - 2014
DA - 2014/09/04
PB - Mendeleev Communications
SP - 286-289
IS - 5
VL - 24
ER -
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@article{2014_Nelyubina,
author = {Yulia Vladimirovna Nelyubina and Alexander Aleksandrovich Korlyukov and Konstantin Alexandrovich Lyssenko},
title = {Probing systematic errors in experimental charge density by multipole and invariom modeling: a twinned crystal of 1,10-phenanthroline hydrate},
journal = {Mendeleev Communications},
year = {2014},
volume = {24},
publisher = {Mendeleev Communications},
month = {Sep},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2014.09.013},
number = {5},
pages = {286--289},
doi = {10.1016/j.mencom.2014.09.013}
}
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Nelyubina, Yulia Vladimirovna, et al. “Probing systematic errors in experimental charge density by multipole and invariom modeling: a twinned crystal of 1,10-phenanthroline hydrate.” Mendeleev Communications, vol. 24, no. 5, Sep. 2014, pp. 286-289. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2014.09.013.

Abstract

The modeling of experimental electron density in a twinned crystal of 1,10-phenanthroline hydrate within an invariom approach revealed its another advantage for charge density studies, which is assessing the reliability of chemically relevant information provided by a conventional multipole refinement against high-resolution X-ray diffraction data.

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