Crystal structure of twinned (η5-C5(CH3)4CF3) (η5-C5(CH3)5)Ru

Frank Marken; Hans W. Marx; Ulli Englert

doi:10.1007/BF02262839

Crystal structure of twinned (η⁵-C₅(CH₃)₄CF₃) (η⁵-C₅(CH₃)₅)Ru

Frank Marken
, Hans W. Marx
, Ulli Englert

RWTH Aachen University

Research output: Contribution to journal › Article › peer-review

Abstract

The substituted sandwich complex crystallizes in monoclinic space group P2₁/m with Z=2. Twinning to the (001) direction with the special condition c^*/4 a^* = cos β^* causes systematic superposition of the reciprocal lattices of both domains and results in an apparent unit cell with double volume and the reflection condition (2 h)kl, l=2 n. The structure solution was obtained with the subset of intensity data for the predominant individuum and converged at R = 0.040, R_w=0.046 for 832 independent observations and 122 variables. The molecules show disorder with respect to the crystallographic mirror plane. The structure is closely related to that of decamethylruthenocene.

Original language	English
Pages (from-to)	177-181
Number of pages	5
Journal	Structural Chemistry
Volume	5
Issue number	3
DOIs	https://doi.org/10.1007/BF02262839
Publication status	Published - 1 Jun 1994

Keywords

crystal structure determination
disorder
Monoclinic twinning
sandwich complex
tetramethyltrifluoromethylcyclopentadienyl

ASJC Scopus subject areas

Condensed Matter Physics
Physical and Theoretical Chemistry

Access to Document

10.1007/BF02262839

Cite this

@article{fe89c35c1b6d400fa4cad1daed4c05e3,

title = "Crystal structure of twinned (η5-C5(CH3)4CF3) (η5-C5(CH3)5)Ru",

abstract = "The substituted sandwich complex crystallizes in monoclinic space group P21/m with Z=2. Twinning to the (001) direction with the special condition c*/4 a* = cos β* causes systematic superposition of the reciprocal lattices of both domains and results in an apparent unit cell with double volume and the reflection condition (2 h)kl, l=2 n. The structure solution was obtained with the subset of intensity data for the predominant individuum and converged at R = 0.040, Rw=0.046 for 832 independent observations and 122 variables. The molecules show disorder with respect to the crystallographic mirror plane. The structure is closely related to that of decamethylruthenocene.",

keywords = "crystal structure determination, disorder, Monoclinic twinning, sandwich complex, tetramethyltrifluoromethylcyclopentadienyl",

author = "Frank Marken and Marx, \{Hans W.\} and Ulli Englert",

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journal = "Structural Chemistry",

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T1 - Crystal structure of twinned (η5-C5(CH3)4CF3) (η5-C5(CH3)5)Ru

AU - Marken, Frank

AU - Marx, Hans W.

AU - Englert, Ulli

PY - 1994/6/1

Y1 - 1994/6/1

N2 - The substituted sandwich complex crystallizes in monoclinic space group P21/m with Z=2. Twinning to the (001) direction with the special condition c*/4 a* = cos β* causes systematic superposition of the reciprocal lattices of both domains and results in an apparent unit cell with double volume and the reflection condition (2 h)kl, l=2 n. The structure solution was obtained with the subset of intensity data for the predominant individuum and converged at R = 0.040, Rw=0.046 for 832 independent observations and 122 variables. The molecules show disorder with respect to the crystallographic mirror plane. The structure is closely related to that of decamethylruthenocene.

AB - The substituted sandwich complex crystallizes in monoclinic space group P21/m with Z=2. Twinning to the (001) direction with the special condition c*/4 a* = cos β* causes systematic superposition of the reciprocal lattices of both domains and results in an apparent unit cell with double volume and the reflection condition (2 h)kl, l=2 n. The structure solution was obtained with the subset of intensity data for the predominant individuum and converged at R = 0.040, Rw=0.046 for 832 independent observations and 122 variables. The molecules show disorder with respect to the crystallographic mirror plane. The structure is closely related to that of decamethylruthenocene.

KW - crystal structure determination

KW - disorder

KW - Monoclinic twinning

KW - sandwich complex

KW - tetramethyltrifluoromethylcyclopentadienyl

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SN - 1040-0400

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