Crystal structures of (η5-C5H4COMe)M(CO)3Me (M=Mo, W)

Robin D. Rogers, Jerry L. Atwood, Marvin D. Rausch, David W. Macomber

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Abstract

The crystal structures of (η5-C5H4COMe)M(CO)3Me (M=Mo, W) have been determined. They are not isostructural. M=Mo is P21/c, a=10.205(6), b=14.192(8), c=8.135(6) Å, β=93.43(4)° and D(calc)=1.71 g cm-3 for Z=4. M=Wis P21/c, a=12.580(7), b=6.830(5), c=13.750(7) Å, β=93.72(4)° and D(calc)=2.20 g cm-3 for Z=4. Both have a four-legged piano stool geometry with the substituted carbon making the closest M-C(η5) approach. The methyl group in the M=W derivative is disordered between two trans-ligand positions. The average bonding parameters for the more accurately determined Mo analog are: Mo-C(η)5)=2.34(3) Å, Mo-CO=1.98(2) Å, Mo-Me=2.304(4) Å.

Original languageEnglish (US)
Pages (from-to)555-560
Number of pages6
JournalJournal of Crystallographic and Spectroscopic Research
Volume20
Issue number6
DOIs
StatePublished - Dec 1 1990

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Crystal structures of (η5-C5H4COMe)M(CO)3Me (M=Mo, W). / Rogers, Robin D.; Atwood, Jerry L.; Rausch, Marvin D.; Macomber, David W.

In: Journal of Crystallographic and Spectroscopic Research, Vol. 20, No. 6, 01.12.1990, p. 555-560.

Research output: Contribution to journalArticle

Rogers, Robin D. ; Atwood, Jerry L. ; Rausch, Marvin D. ; Macomber, David W. / Crystal structures of (η5-C5H4COMe)M(CO)3Me (M=Mo, W). In: Journal of Crystallographic and Spectroscopic Research. 1990 ; Vol. 20, No. 6. pp. 555-560.
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N2 - The crystal structures of (η5-C5H4COMe)M(CO)3Me (M=Mo, W) have been determined. They are not isostructural. M=Mo is P21/c, a=10.205(6), b=14.192(8), c=8.135(6) Å, β=93.43(4)° and D(calc)=1.71 g cm-3 for Z=4. M=Wis P21/c, a=12.580(7), b=6.830(5), c=13.750(7) Å, β=93.72(4)° and D(calc)=2.20 g cm-3 for Z=4. Both have a four-legged piano stool geometry with the substituted carbon making the closest M-C(η5) approach. The methyl group in the M=W derivative is disordered between two trans-ligand positions. The average bonding parameters for the more accurately determined Mo analog are: Mo-C(η)5)=2.34(3) Å, Mo-CO=1.98(2) Å, Mo-Me=2.304(4) Å.

AB - The crystal structures of (η5-C5H4COMe)M(CO)3Me (M=Mo, W) have been determined. They are not isostructural. M=Mo is P21/c, a=10.205(6), b=14.192(8), c=8.135(6) Å, β=93.43(4)° and D(calc)=1.71 g cm-3 for Z=4. M=Wis P21/c, a=12.580(7), b=6.830(5), c=13.750(7) Å, β=93.72(4)° and D(calc)=2.20 g cm-3 for Z=4. Both have a four-legged piano stool geometry with the substituted carbon making the closest M-C(η5) approach. The methyl group in the M=W derivative is disordered between two trans-ligand positions. The average bonding parameters for the more accurately determined Mo analog are: Mo-C(η)5)=2.34(3) Å, Mo-CO=1.98(2) Å, Mo-Me=2.304(4) Å.

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