The rigid-body vibrations of molecules in crystals

Burns, D.; Ferrier, W. G.; McMullan, J. T.

doi:10.1107/s0365110x67001264

Cited by 14 publications

(10 citation statements)

References 3 publications

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“…Table 6. S&e, shape and orientation parameters calculated on the bas& of the Schomaker-Trueblood analysbs u ° and U c denotes the sum of the eigenvalues of the observed and calculated ellipsoids; S and 0 are the shape and orientation parameters according to Burns et al (1967a). (7) C ( For this molecule, there is a small but significant departure from planarity.…”

Section: Molecular Structurementioning

confidence: 99%

Crystal and molecular structure of diethyl ether at 128°K

André¹,

Fourme²,

Zechmeister³

1972

Acta Crystallogr Sect B

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Three-dimensional single-crystal X-ray diffraction data of the stable form of diethyl ether have been collected at 128 °K. The unit cell is orthorhombic, a = 11"81 (2), b = 8.07(2), c = 10.85(3) ~, space group P212~2~, Z= 8; there are two molecules in the asymmetric unit. The acentric structure has been solved by direct methods and refined to an R index of 0.052. Both molecules have approximately (C2v transtrans) symmetry and the rigid-body model is a good approximation to the thermal motion. For a planar molecule with five atoms, the normal equations matrix is singular and the molecular tensors have been found by a technique of regression on principal components. The packing is loose and this might explain the strong tendency of diethyl ether to give a vitreous form on cooling.

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Section: Molecular Structurementioning

confidence: 99%

Crystal and molecular structure of diethyl ether at 128°K

André¹,

Fourme²,

Zechmeister³

1972

Acta Crystallogr Sect B

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“…Only a minor part of one of these oversights for one of the examples (No. 3 in BFM1) was mentioned by the same authors in their later work (Burns, Ferrier & McMullan, 1968) (BFM2) but the others have remained unnoticed up to this date. Although this work in no way alters the notion of the criterion parameters, the correction of the results is obviously necessary for such a basic reference paper for authors wishing to utilize it.…”

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confidence: 85%

Comments onThe rigid-body vibrations of molecules in crystalsby Burns, Ferrier & McMullan (1967)

Armagˇan¹,

Yücel²

1982

Acta Cryst Sect A

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“…Une version locale du programme JMTFA C (Burns, Ferrier & McMullan, 1967a,b, 1968Andr6, 1977 Cosinus directeurs et distances de l'origine A B C D L'6quation des plans a la forme Ax+By+ Cz+D=O, o6 les coordonn6es sont dans le syst6me orthonorm+ a, b, c*.…”

Section: Mouvements Thermiquesunclassified