The structure of μ-carbonyl-μ-dicyanovinylidene-bis(carbonylcyclopentadienyliron(0)), cis-Fe2(CO)2(π-C5H5)2(μ-CO)[μ-CC(CN)2]

Richard M. Kirchner; James A. Ibers

doi:10.1016/S0022-328X(00)90362-0

The structure of μ-carbonyl-μ-dicyanovinylidene-bis(carbonylcyclopentadienyliron(0)), cis-Fe₂(CO)₂(π-C₅H₅)₂(μ-CO)[μ-CC(CN)₂]

Richard M. Kirchner, James A. Ibers^*

^*Corresponding author for this work

Chemistry

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

31 Scopus citations

Abstract

The structure of cis-Fe₂(CO)₂(π-C₅H₅)₂(μ-CO)[μ-CC(CN)₂] has been determined from three-dimensional X-ray data collected by counter methods. The dark-red compound crystallizes in space group C^c_2h (P2₁/c) of the monoclinic system with two independent dimeric molecules in the asymmetric portion of a unit cell of dimensions a = 7.218(1), b = 33.275(6), c = 13.364(2) Å, and β = 99.71(1)°. The observed and calculated densities are 1.64(2) g cm^-3 and 1.69 g cm^-3, respectively. Least-squares refinement led to a final value of the conventional R index (on F) of 0.135 for the 2577 reflections having F₀ > 0.0. The value of R is 0.084 for those reflections having F₀² > 3σ (F₀²). The structure consists of discrete dimeric molecules with bridging dicyanovinylidene and bridging carbonyl ligands, and cis-cyclopentadienyl rings. The average value for the FeFe distance is 2.511(4) Å. The dicyanovinylidene ligand is planar and symmetrically bridges the two iron atoms. The average FeC (of dicyanovinylidene) distance is 1.87(4) Å. The average FeC (of bridging CO) distance is 1.94(3) Å.

Original language	English (US)
Pages (from-to)	243-255
Number of pages	13
Journal	Journal of Organometallic Chemistry
Volume	82
Issue number	2
DOIs	https://doi.org/10.1016/S0022-328X(00)90362-0
State	Published - Dec 10 1974

Funding

We are indebted to the National Science Foundation for support of this research. We are indebted to Prof. R. EL King for the sample and for valuable discussions.

ASJC Scopus subject areas

Biochemistry
Physical and Theoretical Chemistry
Organic Chemistry
Inorganic Chemistry
Materials Chemistry

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10.1016/S0022-328X(00)90362-0

Cite this

@article{7a6f1b5d3767446299e745872409112e,

title = "The structure of μ-carbonyl-μ-dicyanovinylidene-bis(carbonylcyclopentadienyliron(0)), cis-Fe2(CO)2(π-C5H5)2(μ-CO)[μ-CC(CN)2]",

abstract = "The structure of cis-Fe2(CO)2(π-C5H5)2(μ-CO)[μ-CC(CN)2] has been determined from three-dimensional X-ray data collected by counter methods. The dark-red compound crystallizes in space group Cc2h (P21/c) of the monoclinic system with two independent dimeric molecules in the asymmetric portion of a unit cell of dimensions a = 7.218(1), b = 33.275(6), c = 13.364(2) {\AA}, and β = 99.71(1)°. The observed and calculated densities are 1.64(2) g cm-3 and 1.69 g cm-3, respectively. Least-squares refinement led to a final value of the conventional R index (on F) of 0.135 for the 2577 reflections having F0 > 0.0. The value of R is 0.084 for those reflections having F02 > 3σ (F02). The structure consists of discrete dimeric molecules with bridging dicyanovinylidene and bridging carbonyl ligands, and cis-cyclopentadienyl rings. The average value for the FeFe distance is 2.511(4) {\AA}. The dicyanovinylidene ligand is planar and symmetrically bridges the two iron atoms. The average FeC (of dicyanovinylidene) distance is 1.87(4) {\AA}. The average FeC (of bridging CO) distance is 1.94(3) {\AA}.",

author = "Kirchner, {Richard M.} and Ibers, {James A.}",

note = "Funding Information: We are indebted to the National Science Foundation for support of this research. We are indebted to Prof. R. EL King for the sample and for valuable discussions.",

year = "1974",

month = dec,

day = "10",

doi = "10.1016/S0022-328X(00)90362-0",

language = "English (US)",

volume = "82",

pages = "243--255",

journal = "Journal of Organometallic Chemistry",

issn = "0022-328X",

publisher = "Elsevier B.V.",

number = "2",

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TY - JOUR

T1 - The structure of μ-carbonyl-μ-dicyanovinylidene-bis(carbonylcyclopentadienyliron(0)), cis-Fe2(CO)2(π-C5H5)2(μ-CO)[μ-CC(CN)2]

AU - Kirchner, Richard M.

AU - Ibers, James A.

N1 - Funding Information: We are indebted to the National Science Foundation for support of this research. We are indebted to Prof. R. EL King for the sample and for valuable discussions.

PY - 1974/12/10

Y1 - 1974/12/10

N2 - The structure of cis-Fe2(CO)2(π-C5H5)2(μ-CO)[μ-CC(CN)2] has been determined from three-dimensional X-ray data collected by counter methods. The dark-red compound crystallizes in space group Cc2h (P21/c) of the monoclinic system with two independent dimeric molecules in the asymmetric portion of a unit cell of dimensions a = 7.218(1), b = 33.275(6), c = 13.364(2) Å, and β = 99.71(1)°. The observed and calculated densities are 1.64(2) g cm-3 and 1.69 g cm-3, respectively. Least-squares refinement led to a final value of the conventional R index (on F) of 0.135 for the 2577 reflections having F0 > 0.0. The value of R is 0.084 for those reflections having F02 > 3σ (F02). The structure consists of discrete dimeric molecules with bridging dicyanovinylidene and bridging carbonyl ligands, and cis-cyclopentadienyl rings. The average value for the FeFe distance is 2.511(4) Å. The dicyanovinylidene ligand is planar and symmetrically bridges the two iron atoms. The average FeC (of dicyanovinylidene) distance is 1.87(4) Å. The average FeC (of bridging CO) distance is 1.94(3) Å.

AB - The structure of cis-Fe2(CO)2(π-C5H5)2(μ-CO)[μ-CC(CN)2] has been determined from three-dimensional X-ray data collected by counter methods. The dark-red compound crystallizes in space group Cc2h (P21/c) of the monoclinic system with two independent dimeric molecules in the asymmetric portion of a unit cell of dimensions a = 7.218(1), b = 33.275(6), c = 13.364(2) Å, and β = 99.71(1)°. The observed and calculated densities are 1.64(2) g cm-3 and 1.69 g cm-3, respectively. Least-squares refinement led to a final value of the conventional R index (on F) of 0.135 for the 2577 reflections having F0 > 0.0. The value of R is 0.084 for those reflections having F02 > 3σ (F02). The structure consists of discrete dimeric molecules with bridging dicyanovinylidene and bridging carbonyl ligands, and cis-cyclopentadienyl rings. The average value for the FeFe distance is 2.511(4) Å. The dicyanovinylidene ligand is planar and symmetrically bridges the two iron atoms. The average FeC (of dicyanovinylidene) distance is 1.87(4) Å. The average FeC (of bridging CO) distance is 1.94(3) Å.

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