Solving crystal structures from powder data. V. Located molecular fragment and powder-pattern decomposition

被引：58

作者：

Altomare, A ^{[1
]}

Giacovazzo, C ^{[1
]}

Guagliardi, A ^{[1
]}

Moliterni, AGG ^{[1
]}

Rizzi, R ^{[1
]}

机构：

[1] Univ Bari, Ist Ricerca Sviluppo Metodol Cristallog, CNR, Dipartimento Geomineral, I-70125 Bari, Italy

来源：

JOURNAL OF APPLIED CRYSTALLOGRAPHY | 1999年 / 32卷

关键词：

D O I：

10.1107/S0021889899007165

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

In direct procedures for crystal structure solution from powder data, information on the location and orientation of a molecular fragment may readily become available. Such information may be used retrospectively to improve the powder-pattern decomposition, with favourable effects on the phasing process. A method is described by which accurate estimation of a large number of structure-factor moduli is possible by exploiting the prior partial structural information.

引用

收藏

页码：963 / 967

页数：5

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