Ab Initio Structure Determination of Two Polymorphs of Cyclopentadienylrubidium in a Single Powder Pattern

The structures of two polymorphic phases of solid RbC 5 H 5 have been solved ab initio by high-resolution powder X-ray diffraction measured in a single powder pattern. The compound crystallizes in space group Pbcm (phase I), Z = 8, with unit-cell parameters a = 9.3396 (1), b = 10.9666 (1), c = 10.5490 (1) Å, and in space group Pnma , Z = 4 (phase II), with unit- cell parameters a = 10.7990 (2), b = 8.6923 (2), c = 5.7061 (2) Å. Both phases show polymeric zigzag chains, so-called bent-polydecker sandwich structures, with an. average Rb—Cp z (Cp-ring-centroid) distance of 2.97 Å. Phase II contains a single chain along the a axis, whereas phase I contains two similar but crystallographically independent chains perpendicular to each other along the b axis and along the c axis, leading to a more complex coordination sphere around the Rb atoms. The chains are bent with Cp z —Rb—Cp z angles ranging from 123.5 to 136.5°. … celý popis

Podrobná bibliografie

Publikováno v

Acta crystallographica. Section B, Structural science Ročník 53; číslo 1; s. 153 - 158

Hlavní autoři

Dinnebier, R. E., Olbrich, F., Van Smaalen, S., Stephens, P. W.

Typ dokumentu

Journal Article

Jazyk

English

Vydáno

5 Abbey Square, Chester, Cheshire CH1 2HU, England International Union of Crystallography 01. 02. 1997
Blackwell

Témata

Condensed matter: structure, mechanical and thermal properties

Exact sciences and technology

Organic compounds

Organometalloidal and organometallic compounds

Physics

Structure of solids and liquids; crystallography

Structure of specific crystalline solids

Sandwich compound

Molecular structure

Chains

XRD

Dienes

Experimental study

Metallocene

High-resolution methods

Organic compounds

Rubidium Organic compounds

Conformation

Crystal structure

Bibliografie

ArticleID:AYBSE0204
ark:/67375/WNG-68JWB3SZ-V
istex:67A53E37BBF4FC7430729D8BDAC67CA8F24F547F

ISSN

0108-7681
1600-5740

DOI

10.1107/S0108768196010555