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Dicarbon-yl(hexa-methyl-ene-1,3,5,7-tetra-mine-?N(1))(?(5)-penta-methyl-cyclo-penta-dien-yl)iron(II) tetra-fluoridoborate.

ABSTRACT: In the title compound, [Fe(C(10)H(15))(C(6)H(12)N(4))(CO)(2)]BF(4), the arrangement around the Fe(II) atom corresponds to a three-legged piano stool. The penta-methyl-cyclo-penta-dienyl (Cp*) ligand occupies three coordination sites, while two CO ligands and one N atom of the hexa-methyl-ene-tetra-mine ligand occupy the remaining coordination sites, completing a pseudo-octahedral geometry. Both the complex cation and the BF(4) (-) anion reside on crystallographic mirror planes. The Fe-N bond length is 2.069?(2) and the Fe-Cp*(centroid) distance is 1.7452?(3)?Å.

SUBMITTER: M'thiruaine CM

PROVIDER: S-EPMC3393194 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

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Dicarbon-yl(hexa-methyl-ene-1,3,5,7-tetra-mine-κN(1))(η(5)-penta-methyl-cyclo-penta-dien-yl)iron(II) tetra-fluoridoborate.

M'thiruaine Cyprian M CM Friedrich Holger B HB Changamu Evans O EO Fernandes Manuel A MA

Acta crystallographica. Section E, Structure reports online 20120616 Pt 7

In the title compound, [Fe(C(10)H(15))(C(6)H(12)N(4))(CO)(2)]BF(4), the arrangement around the Fe(II) atom corresponds to a three-legged piano stool. The penta-methyl-cyclo-penta-dienyl (Cp*) ligand occupies three coordination sites, while two CO ligands and one N atom of the hexa-methyl-ene-tetra-mine ligand occupy the remaining coordination sites, completing a pseudo-octahedral geometry. Both the complex cation and the BF(4) (-) anion reside on crystallographic mirror planes. The Fe-N bond len ...[more]

PMID: 22807762

Similar Datasets

Dicarbon-yl(?(5)-cyclo-penta-dien-yl)(hexa-methyl-enetetra-mine-?N(1))iron(II) tetra-fluoridoborate.

Project description:In the structure of the title compound, [Fe(C(5)H(5))(C(6)H(12)N(4))(CO)(2)]BF(4), the arrangement around the Fe(II) atom corresponds to that of a three-legged piano stool. The cyclo-penta-dienyl ligand occupies three coordination sites of the apical position in a ?(5) fashion, while two CO ligands and one N atom of the hexa-methyl-ene-tetra-mine ligand occupy the remaining coordination sites to complete a distorted octa-hedral geometry. The asymmetric unit consists of two sets of crystallographically independent cations and anions with the r.m.s. deviations of the overlay of non-H atoms of each pair being 0.081 and 0.120?Å, respectively. The Fe-N bond lengths are 2.0459?(15) and 2.0490?(14)?Å, while the Fe-Cp(centroid) distances are 1.7257?(3) and 1.7246?(3)?Å. One of the anions displays disorder, with the F atoms having occupancies of 0.58?(4) and 0.42?(4).

| S-EPMC3414135 | biostudies-other

Acetonitrile-dicarbon-yl(?-penta-methyl-cyclo-penta-dien-yl)iron(II) tetra-fluorido-borate.

Project description:In the structure of the title compound, [Fe{?(5)-C(5)(CH(3))(5)}(NCCH(3))(CO)(2)]BF(4), the arrangement of ligands around the Fe atom is in a pseudo-octa-hedral three-legged piano-stool fashion in which the penta-methyl-cyclo-penta-dienyl (Cp*) ligand occupies three apical coordination sites, while the two carbonyl and one acetonitrile ligands form the basal axes of the coordination. The Fe-N bond length is 1.924?(3)?Å and the Fe-Cp* centroid distance is 1.722?Å.

| S-EPMC3151746 | biostudies-literature

Dicarbon-yl(?(5)-cyclo-penta-dien-yl)(2,3-di-bromo-propanamine-?N)iron(II) tetra-fluoridoborate.

Project description:The title compound, [Fe(?(5)-C(5)H(5))(NH(2)CH(2)CHBrCH(2)Br)(CO)(2)](BF(4)) contains an Fe(II) cation with a three-legged piano-stool coordination. The NH(2)CH(2)CHBrCH(2)Br ligand contains a chiral carbon atom. The Fe-N bond length is 2.011?(3)?Å and the Fe-Cp centroid distance is 1.7189?(5)?Å. In the crystal, the ions are linked via two N-H?F inter-actions and a weak N-H?Br inter-action.

| S-EPMC3393195 | biostudies-literature

(μ-Formato-κO:O')bis-[dicarbon-yl(η-cyclo-penta-dien-yl)iron(II)] tetra-fluoridoborate.

Project description:In the structure of the title compound [Fe(2)(C(5)H(5))(2)(CHO(2))(CO)(4)]BF(4), each Fe(II) atom is coordinated in a pseudo-octa-hedral three-legged piano-stool fashion. The cyclo-penta-dienyl ligand occupies three fac coordination sites while the two carbonyl ligands and formate O atom occupy the remaining three sites.

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Redetermination of (acetonitrile-?N)dicarbon-yl(?(5)-cyclo-penta-dien-yl)iron(II) tetra-fluoridoborate.

Project description:The crystal structure of the title compound, [Fe(C(5)H(5))(CH(3)CN)(CO)(2)]BF(4), of which only the coordinates of the non-H atoms of the cation have previously been reported [Fadel et al. (1979 ?). Z. Anorg. Allg. Chem.453, 98-106] has been redetermined. The Fe(II) atom in the complex cation is coordinated by a cyclo-penta-dienyl ring, two carbonyl ligands and an acetonitrile mol-ecule displaying a three-legged piano stool structure. Three of the four F atoms of the BF(4) (-) anion are disordered over two sets of sites, with a site-occupancy factor of 0.709?(10) for the major occupied site.

| S-EPMC3393217 | biostudies-other

trans-Acetyl-dicarbon-yl(?(5)-cyclo-penta-dien-yl)(methyl-diphenyl-phosphane)molybdenum(II).

Project description:The title compound, [Mo(C(5)H(5))(C(2)H(3)O)(C(13)H(13)P)(CO)(2)], was prepared by reaction of [Mo(CH(3))(C(5)H(5))(CO)(3)] with methyl-diphenyl-phosphane. The Mo(II) atom exhibits a four-legged piano-stool coordination geometry with the acetyl and phosphane ligands trans to each other. There are several inter-molecular C-H?O hydrogen-bonding inter-actions involving carbonyl and acetyl O atoms as acceptors. A close nearly parallel ?-? inter-action between the cyclo-penta-dienyl plane and the phenyl ring of the phosphane ligand is present, with an angle of 6.4?(1)° between the two least-squares planes. The centroid-to-centroid distance between these groups is 3.772?(3)?Å, and the closest distance between two atoms of these groups is 3.449?(4)?Å. Since each Mo complex is engaged in two of these inter-actions, the complexes form an infinite ?-stack coincident with the a axis.

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Crystal structures of trans-acetyl-dicarbon-yl(?(5)-cyclo-penta-dien-yl)(di-methyl-phenyl-phosphane)molybdenum(II) and trans-acetyl-dicarbon-yl(?(5)-cyclo-penta-dien-yl)(ethyl-diphenyl-phosphane)molybdenum(II).

Project description:The title compounds, [Mo(C5H5)(COCH3)P(CH3)2(C6H5)(CO)2], (1), and [Mo(C5H5)(COCH3)P(C2H5)(C6H5)2)(CO)2], (2), have been prepared by phosphine-induced migratory insertion from [Mo(C5H5)(CO)3(CH3)]. Both complex mol-ecules exhibit a four-legged piano-stool geometry with trans-disposed carbonyl ligands along with Mo-P bond lengths and C-Mo-P angles that reflect the relative steric pressure of the respective phosphine ligand. The structure of compound (1) exhibits a layered arrangement parallel to (100). Within the layers mol-ecules are linked into chains along [001] by non-classical C-H?O inter-actions between the acetyl ligand of one mol-ecule and the phenyl and methyl phosphine substituents of another. In the structure of complex (2), a chain motif of centrosymmetrical dimers is found along [010] through C-H?O inter-actions.

| S-EPMC4257160 | biostudies-literature

(?-Benzophenone)(?-penta-methyl-cyclo-penta-dien-yl)ruthenium(II) tetra-phenyl-borate.

Project description:The structure of the title compound, [Ru(C(10)H(15))(C(13)H(10)O)](C(24)H(20)B), consists of discrete [Cp*Ru(II)benzophenone] cations and tetra-phenyl-borate anions (Cp* = penta-methyl-cyclo-penta-dien-yl). Tethering the Cp*Ru group to one aryl ring of benzophenone results in average values of 1.42?(1) and 1.38?(1)?Å for the C-C bond lengths in the Ru-tethered and untethered phenyl rings, respectively. The dihedral angle between the benzene and phenyl rings of the benzophenone group is 50.5?(1)°.

| S-EPMC2971317 | biostudies-literature

Bis(?(5)-penta-methyl-cyclo-penta-dien-yl)aluminium tetra-bromido-aluminate.

Project description:The title compound, [Al(C10H15)2][AlBr4], was formed during the reduction of a mixture of Cp*AlBr2 and AlBr3. The Al(III) atoms of the two crystallographically independent cations each lie on an inversion center, and the [AlBr4](-) anions are on general positions. At 123?K, the structure exhibits disorder in two of the Br atoms of the [AlBr4](-) ion, with a ratio occupancy of 0.733?(6): 0.267?(3). In the crystal, there is possible weak hydrogen bonding between some methyl groups and Br atoms. The interactions link the moieties in a three-dimensional array.

| S-EPMC3998496 | biostudies-literature

[1-Dimethyl-silyl-2-phenyl-3-(?-tetra-methyl-cyclo-penta-dien-yl)-prop-1-en-1-yl-?C](?-penta-methyl-cyclo-penta-dien-yl)titanium(III).

Project description:The title compound, [Ti(C(10)H(15))(C(20)H(26)Si)], was obtained from the reaction of [Ti{?(5):?(1)-C(5)Me(4)(CH(2))}(?(5)-C(5)Me(5))] with the alkynylsilane PhC(2)SiMe(2)H. The complex crystallizes with two independent mol-ecules in the asymmetric unit, which differ in the conformation of the propenyl unit, resulting in their having opposite helicity. No inter-molecular inter-actions or inter-actions involving the Si-H bond are present. The observed geometrical parameters are unexceptional compared to known structures of the same type.

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