Limits...
Crystal structure of paddle-wheel sandwich-type [Cu2{(CH3)2CO}{μ-Fe(η(5)-C5H4C N)2}3](BF4)2·(CH3)2CO.

Strehler F, Korb M, Lang H - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: The two Cu(I) ions are complexed in a trigonal-planar manner by three nitrile N-donor atoms.Further inter-actions by the O atom of an acetone mol-ecule to one of the Cu(I) atoms and a weak η(2),π-inter-action of two atoms of a cyclo-penta-dienyl ring to the other Cu(I) atom complete a distorted trigonal-pyramidal environment for each of the metal ions.A further acetone mol-ecule is also present as a solvent mol-ecule.

View Article: PubMed Central - HTML - PubMed

Affiliation: Technische Universität Chemnitz, Fakultät für Naturwissenschaften, Institut für Chemie, Anorganische Chemie, D-09107 Chemnitz, Germany.

ABSTRACT
The mol-ecular structure of (acetone-κO)tris-(μ-ferrocene-1,1'-dicarbo-nitrile-κ(2) N:N')dicopper(I) bis-(tetra-fluorido-borate) acetone monosolvate, [Cu2Fe3(C6H4N)6(C3H6O)](BF4)2·C3H6O, consists of two Cu(I) ions bridged by a ferrocene-1,1'-dicarbo-nitrile moiety in a paddle-wheel-architectured sandwich complex with two BF4 (-) units as counter-ions. One of the latter is equally disordered over two sets of sites. The two Cu(I) ions are complexed in a trigonal-planar manner by three nitrile N-donor atoms. Further inter-actions by the O atom of an acetone mol-ecule to one of the Cu(I) atoms and a weak η(2),π-inter-action of two atoms of a cyclo-penta-dienyl ring to the other Cu(I) atom complete a distorted trigonal-pyramidal environment for each of the metal ions. A further acetone mol-ecule is also present as a solvent mol-ecule. The crystal packing is consolidated by several π-π inter-actions.

No MeSH data available.


The mol­ecular structure of (I), showing inter­molecular η2, π inter­actions between Cu2 and the C26—C27 bond, and short inter­actions between C23 and its symmetry-generated equivalent (Table 1 ▸), with displacement ellipsoids drawn at the 50% probability level. All H atoms, the BF4− ions and the non-coordinating acetone solvent mol­ecule have been omitted for clarity. [Symmetry codes: (A) x − 1, y, z; (B) 1 + x, y, z; (C) −x, 1 − y, 1 − z.]
© Copyright Policy - open-access
Related In: Results  -  Collection

License
getmorefigures.php?uid=PMC4384607&req=5

fig1: The mol­ecular structure of (I), showing inter­molecular η2, π inter­actions between Cu2 and the C26—C27 bond, and short inter­actions between C23 and its symmetry-generated equivalent (Table 1 ▸), with displacement ellipsoids drawn at the 50% probability level. All H atoms, the BF4− ions and the non-coordinating acetone solvent mol­ecule have been omitted for clarity. [Symmetry codes: (A) x − 1, y, z; (B) 1 + x, y, z; (C) −x, 1 − y, 1 − z.]

Mentions: The title compound contains one penta­metallic Cu2Fe3 complex mol­ecule in the asymmetric unit consisting of two CuI ions bridged by three 1,1′-ferrocenediyl dicarbo­nitrile ligands that form a triangular paddle-wheel sandwich-type complex with iron⋯iron distances ranging from 9.1739 (13) (Fe2⋯Fe3) to 10.0385 (12) Å (Fe1ctdot;Fe2). The complex crystallizes with two BF4− counter-ions and two mol­ecules of acetone. One acetone mol­ecule coordinates with its oxygen atom to Cu1 [Cu1—O1 2.375 (2) Å], leading to an 18 VE complex and an overall distorted trigonal–pyramidal environment. The Cu2 ion exhibits a weak inter­molecular η2, π inter­action [3.1520 (6) Å; Table 1 ▸, Fig. 1 ▸] with two atoms of an adjacent cyclo­penta­dienyl ring, and thus, only a 16 VE complex is present. The deviation from the N3 plane is increased for Cu1 [0.1883 (16) Å] as compared to Cu2 [0.0602 (16) Å] due to a stronger inter­action with the axial moiety. The Cu⋯Cu distance [3.3818 (7) Å] exceeds the sum of the van der Waals radii (Σ = 2.80 Å; Bondi, 1964 ▸), indicating that the CuI ions do not inter­act with each other.


Crystal structure of paddle-wheel sandwich-type [Cu2{(CH3)2CO}{μ-Fe(η(5)-C5H4C N)2}3](BF4)2·(CH3)2CO.

Strehler F, Korb M, Lang H - Acta Crystallogr E Crystallogr Commun (2015)

The mol­ecular structure of (I), showing inter­molecular η2, π inter­actions between Cu2 and the C26—C27 bond, and short inter­actions between C23 and its symmetry-generated equivalent (Table 1 ▸), with displacement ellipsoids drawn at the 50% probability level. All H atoms, the BF4− ions and the non-coordinating acetone solvent mol­ecule have been omitted for clarity. [Symmetry codes: (A) x − 1, y, z; (B) 1 + x, y, z; (C) −x, 1 − y, 1 − z.]
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4384607&req=5

fig1: The mol­ecular structure of (I), showing inter­molecular η2, π inter­actions between Cu2 and the C26—C27 bond, and short inter­actions between C23 and its symmetry-generated equivalent (Table 1 ▸), with displacement ellipsoids drawn at the 50% probability level. All H atoms, the BF4− ions and the non-coordinating acetone solvent mol­ecule have been omitted for clarity. [Symmetry codes: (A) x − 1, y, z; (B) 1 + x, y, z; (C) −x, 1 − y, 1 − z.]
Mentions: The title compound contains one penta­metallic Cu2Fe3 complex mol­ecule in the asymmetric unit consisting of two CuI ions bridged by three 1,1′-ferrocenediyl dicarbo­nitrile ligands that form a triangular paddle-wheel sandwich-type complex with iron⋯iron distances ranging from 9.1739 (13) (Fe2⋯Fe3) to 10.0385 (12) Å (Fe1ctdot;Fe2). The complex crystallizes with two BF4− counter-ions and two mol­ecules of acetone. One acetone mol­ecule coordinates with its oxygen atom to Cu1 [Cu1—O1 2.375 (2) Å], leading to an 18 VE complex and an overall distorted trigonal–pyramidal environment. The Cu2 ion exhibits a weak inter­molecular η2, π inter­action [3.1520 (6) Å; Table 1 ▸, Fig. 1 ▸] with two atoms of an adjacent cyclo­penta­dienyl ring, and thus, only a 16 VE complex is present. The deviation from the N3 plane is increased for Cu1 [0.1883 (16) Å] as compared to Cu2 [0.0602 (16) Å] due to a stronger inter­action with the axial moiety. The Cu⋯Cu distance [3.3818 (7) Å] exceeds the sum of the van der Waals radii (Σ = 2.80 Å; Bondi, 1964 ▸), indicating that the CuI ions do not inter­act with each other.

Bottom Line: The two Cu(I) ions are complexed in a trigonal-planar manner by three nitrile N-donor atoms.Further inter-actions by the O atom of an acetone mol-ecule to one of the Cu(I) atoms and a weak η(2),π-inter-action of two atoms of a cyclo-penta-dienyl ring to the other Cu(I) atom complete a distorted trigonal-pyramidal environment for each of the metal ions.A further acetone mol-ecule is also present as a solvent mol-ecule.

View Article: PubMed Central - HTML - PubMed

Affiliation: Technische Universität Chemnitz, Fakultät für Naturwissenschaften, Institut für Chemie, Anorganische Chemie, D-09107 Chemnitz, Germany.

ABSTRACT
The mol-ecular structure of (acetone-κO)tris-(μ-ferrocene-1,1'-dicarbo-nitrile-κ(2) N:N')dicopper(I) bis-(tetra-fluorido-borate) acetone monosolvate, [Cu2Fe3(C6H4N)6(C3H6O)](BF4)2·C3H6O, consists of two Cu(I) ions bridged by a ferrocene-1,1'-dicarbo-nitrile moiety in a paddle-wheel-architectured sandwich complex with two BF4 (-) units as counter-ions. One of the latter is equally disordered over two sets of sites. The two Cu(I) ions are complexed in a trigonal-planar manner by three nitrile N-donor atoms. Further inter-actions by the O atom of an acetone mol-ecule to one of the Cu(I) atoms and a weak η(2),π-inter-action of two atoms of a cyclo-penta-dienyl ring to the other Cu(I) atom complete a distorted trigonal-pyramidal environment for each of the metal ions. A further acetone mol-ecule is also present as a solvent mol-ecule. The crystal packing is consolidated by several π-π inter-actions.

No MeSH data available.