Tetra-<i>n</i>-butylammonium orotate monohydrate: knowledge-based comparison of the results of accurate and lower-resolution analyses and a non-routine disorder refinement

Ara, Irene; Basdouri, Zeineb; Falvello, Larry R.; Graia, Mohsen; Guerra, Pablo; Tomás, Milagros

doi:10.1107/s2056989019013380

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Acta Cryst E

2019

DOI: 10.1107/s2056989019013380

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Tetra-n-butylammonium orotate monohydrate: knowledge-based comparison of the results of accurate and lower-resolution analyses and a non-routine disorder refinement

Irene Ara¹,

Zeineb Basdouri²,

Larry R. Falvello³

et al.

Abstract: The analysis of a hydrophobic–hydrophilic ion-pair structure at two temperatures permits the comparative evaluation of the accurate geometric results obtained at low temperature and less accurate results at room temperature using a knowledge-based approach.

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Tetra-n-butylammonium orotate monohydrate: knowledge-based comparison of the results of accurate and lower-resolution analyses and a non-routine disorder refinement

Abstract: The analysis of a hydrophobic–hydrophilic ion-pair structure at two temperatures permits the comparative evaluation of the accurate geometric results obtained at low temperature and less accurate results at room temperature using a knowledge-based approach.

Cited by 1 publication

References 18 publications

A cross-phase reaction coordinate in the formation of a simple copper (II) orotate complex: Lability of crystals of a Jahn-Teller active intermediate

A cross-phase reaction coordinate in the formation of a simple copper (II) orotate complex: Lability of crystals of a Jahn-Teller active intermediate

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Tetra-n-butylammonium orotate monohydrate: knowledge-based comparison of the results of accurate and lower-resolution analyses and a non-routine disorder refinement

Abstract: The analysis of a hydro­phobic–hydro­philic ion-pair structure at two temperatures permits the comparative evaluation of the accurate geometric results obtained at low temperature and less accurate results at room temperature using a knowledge-based approach.

Cited by 1 publication

References 18 publications

A cross-phase reaction coordinate in the formation of a simple copper (II) orotate complex: Lability of crystals of a Jahn-Teller active intermediate

A cross-phase reaction coordinate in the formation of a simple copper (II) orotate complex: Lability of crystals of a Jahn-Teller active intermediate

Contact Info

Product

Resources

About

Abstract: The analysis of a hydrophobic–hydrophilic ion-pair structure at two temperatures permits the comparative evaluation of the accurate geometric results obtained at low temperature and less accurate results at room temperature using a knowledge-based approach.