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Journal article

Error estimates on bond-length and angle corrections from TLS analysis

Abstract:

Librational motion within a crystal structure distorts the measured bond distances and angles from their physical values. TLS analysis of a rigid molecule or a rigid part of a molecule allows the calculation of bond-length and angle corrections. Until now, no estimate of the error on these corrections has been available. A method is presented for propagating the errors on the anisotropic displacement parameters (ADPs) to the bond-length and angle corrections which are a function of the librat...

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Publication status:
Published

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Publisher copy:
10.1107/S0021889808005463

Authors


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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Inorganic Chemistry
Role:
Author
Journal:
JOURNAL OF APPLIED CRYSTALLOGRAPHY More from this journal
Volume:
41
Issue:
3
Pages:
531-536
Publication date:
2008-06-01
DOI:
EISSN:
1600-5767
ISSN:
0021-8898
Language:
English
Keywords:
Pubs id:
pubs:51651
UUID:
uuid:d56031ea-2217-49b5-8eae-5065f326f9ba
Local pid:
pubs:51651
Source identifiers:
51651
Deposit date:
2012-12-19

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