Iminoacylberyllium compounds derived from octamethyl- and decamethylberyllocene and 2,6-dimethylphenyl isocyanide. Evidence for the existence of η5/η1 isomers of beryllocenes

Organometallics

Volumn 20, Issue 12, 2001, Pages 2434-2436

  Del Mar Conejo, M ^a   Fernández, Rafael ^a   Carmona, Ernesto ^a   Gutiérrez Puebla, Enrique ^b   Monge, Ángeles ^b  

^a INSTITUTO DE INVESTIGACIONES QUÍMICAS   (Spain)

^b INSTITUTO DE CIENCIA DE MATERIALES DE MADRID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

BERYLLOCENES; IMINOACYLBERYLLIUM COMPOUNDS; ISOMERIC STRUCTURES;

CHEMICAL BONDS; COMPUTER SIMULATION; ISOMERS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PHASE TRANSITIONS; SOLUTIONS;

ORGANOMETALLICS;

EID: 0035844896     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om010051k     Document Type: Article

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20. The crystal, with dimensions (in mm) 0.20 × 0.20 × 0.25, was mounted on a Brucker-Siemens Smart CCD diffractometer equipped with a low-temperature device and a normal-focus, 2.4 kW sealed-tube X-ray source (molybdenum radiation, λ = 0.710 67 Å) operating at 50 kV and 20 mA. Data were collected at 143(2) K using ω scans over the range 2.68 < θ < 20.81°. The total number of reflections measured was 7641 of which 5049 were considered independent. The structure was solved by direct methods (Sheldrick, G. M. SHELX-86, Program for Crystal Structure Determination; University of Cambridge, 1992). Hydrogen atoms were located in difference Fourier maps. Refinements were by full-matrix least-squares analysis with anisotropic thermal parameters for all non-hydrogen atoms and isotropic parameters for hydrogen atoms in both cases. The final R value is R1 = 0.1. Crystallographic data for the structure reported in this paper have been deposited with the Cambridge Crystallographic Data Center as supplementary publication no. CCDC-151965.
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