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

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

doi:10.1007/BF01221897

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

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

Medicine - Geriatrics, Palliative and Primary Care (GPPC)

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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 language	English (US)
Pages (from-to)	555-560
Number of pages	6
Journal	Journal of Crystallographic and Spectroscopic Research
Volume	20
Issue number	6
DOIs	https://doi.org/10.1007/BF01221897
State	Published - Dec 1 1990

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

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) {\AA}, 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) {\AA}, 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) {\AA}, Mo-CO=1.98(2) {\AA}, Mo-Me=2.304(4) {\AA}.",

author = "Rogers, {Robin D.} and Atwood, {Jerry L.} and Rausch, {Marvin D.} and Macomber, {David W.}",

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AU - Rogers, Robin D.

AU - Atwood, Jerry L.

AU - Rausch, Marvin D.

AU - Macomber, David W.

PY - 1990/12/1

Y1 - 1990/12/1

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

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