DYNAMIC SCATTERING AND ELECTRON CRYSTALLOGRAPHY - ABINITIO STRUCTURE-ANALYSIS OF COPPER PERBROMOPHTHALOCYANINE

被引：26

作者：

DORSET, DL

TIVOL, WF

TURNER, JN

机构：

[1] NEW YORK STATE DEPT HLTH,WADSWORTH CTR LABS & RES,ALBANY,NY 12201

[2] SUNY ALBANY,SCH PUBL HLTH,ALBANY,NY 12222

来源：

ACTA CRYSTALLOGRAPHICA SECTION A | 1992年 / 48卷

关键词：

D O I：

10.1107/S010876739200206X

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Electron diffraction intensity data were collected at 1200 kV from thin epitaxially oriented crystals of copper perbromophthalocyanine (C32Br16CuN8) in a projection down molecular columns. Measured cell constants for the projection with cmm symmetry are d100 = 17.88 (9), b = 26.46 (15) angstrom. The structure was determined by Fourier refinement after three heavy-atom positions were identified in an initial potential map. In addition to the copper and halogens, all light-atom positions were found. Although the final R value for all data is 0.41, n-beam dynamical calculations for crystal thicknesses corresponding to the estimated sample dimension account for the observed amplitudes that deviate most from their kinematical values.

引用

页码：562 / 568

页数：7

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