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Crystal structure of bis­{μ(2)-[(2-imino­cyclo­pentyl­idene)methyl­idene]aza­nido-κ(2) N:N′}bis­[(η(5)-penta­methyl­cyclo­penta­dien­yl)zirconium(IV)] hexane monosolvate

The title compound, [Zr(2)(C(10)H(15))(4)(C(6)H(6)N(2))(2)]·C(6)H(14), was obtained by the stoichiometric reaction of adipo­nitrile with [Zr(C(10)H(15))(2)(η(2)-Me(3)SiC(2)SiMe(3))]. Intra­molecular nitrile–nitrile couplings and deprotonation of the substrate produced the (1-imino-2-enimino)­cyclo­p...

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Autores principales: Becker, Lisanne, Spannenberg, Anke, Arndt, Perdita, Rosenthal, Uwe
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719842/
https://www.ncbi.nlm.nih.gov/pubmed/26870433
http://dx.doi.org/10.1107/S2056989015021234
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author Becker, Lisanne
Spannenberg, Anke
Arndt, Perdita
Rosenthal, Uwe
author_facet Becker, Lisanne
Spannenberg, Anke
Arndt, Perdita
Rosenthal, Uwe
author_sort Becker, Lisanne
collection PubMed
description The title compound, [Zr(2)(C(10)H(15))(4)(C(6)H(6)N(2))(2)]·C(6)H(14), was obtained by the stoichiometric reaction of adipo­nitrile with [Zr(C(10)H(15))(2)(η(2)-Me(3)SiC(2)SiMe(3))]. Intra­molecular nitrile–nitrile couplings and deprotonation of the substrate produced the (1-imino-2-enimino)­cyclo­pentane ligand, which functions as a five-membered bridge between the two metal atoms. The Zr(IV) atom exhibits a distorted tetra­hedral coordination sphere defined by two penta­methyl­cyclo­penta­dienyl ligands, by the imino unit of one (1-imino-2-enimino)­cyclo­pentane and by the enimino unit of the second (1-imino-2-enimino)­cyclo­pentane. The cyclo­pentane ring of the ligand shows an envelope conformation. The asymmetric unit contains one half of the complex and one half of the hexane solvent mol­ecule, both being completed by the application of inversion symmetry. One of the penta­methyl­cyclo­penta­dienyl ligands is disordered over two sets of sites with a refined occupancy ratio of 0.8111 (3):0.189 (3). In the crystal, the complex mol­ecules are packed into rods extending along [100], with the solvent mol­ecules located in between. The rods are arranged in a distorted hexa­gonal packing.
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spelling pubmed-47198422016-02-11 Crystal structure of bis­{μ(2)-[(2-imino­cyclo­pentyl­idene)methyl­idene]aza­nido-κ(2) N:N′}bis­[(η(5)-penta­methyl­cyclo­penta­dien­yl)zirconium(IV)] hexane monosolvate Becker, Lisanne Spannenberg, Anke Arndt, Perdita Rosenthal, Uwe Acta Crystallogr E Crystallogr Commun Data Reports The title compound, [Zr(2)(C(10)H(15))(4)(C(6)H(6)N(2))(2)]·C(6)H(14), was obtained by the stoichiometric reaction of adipo­nitrile with [Zr(C(10)H(15))(2)(η(2)-Me(3)SiC(2)SiMe(3))]. Intra­molecular nitrile–nitrile couplings and deprotonation of the substrate produced the (1-imino-2-enimino)­cyclo­pentane ligand, which functions as a five-membered bridge between the two metal atoms. The Zr(IV) atom exhibits a distorted tetra­hedral coordination sphere defined by two penta­methyl­cyclo­penta­dienyl ligands, by the imino unit of one (1-imino-2-enimino)­cyclo­pentane and by the enimino unit of the second (1-imino-2-enimino)­cyclo­pentane. The cyclo­pentane ring of the ligand shows an envelope conformation. The asymmetric unit contains one half of the complex and one half of the hexane solvent mol­ecule, both being completed by the application of inversion symmetry. One of the penta­methyl­cyclo­penta­dienyl ligands is disordered over two sets of sites with a refined occupancy ratio of 0.8111 (3):0.189 (3). In the crystal, the complex mol­ecules are packed into rods extending along [100], with the solvent mol­ecules located in between. The rods are arranged in a distorted hexa­gonal packing. International Union of Crystallography 2015-11-14 /pmc/articles/PMC4719842/ /pubmed/26870433 http://dx.doi.org/10.1107/S2056989015021234 Text en © Becker et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Becker, Lisanne
Spannenberg, Anke
Arndt, Perdita
Rosenthal, Uwe
Crystal structure of bis­{μ(2)-[(2-imino­cyclo­pentyl­idene)methyl­idene]aza­nido-κ(2) N:N′}bis­[(η(5)-penta­methyl­cyclo­penta­dien­yl)zirconium(IV)] hexane monosolvate
title Crystal structure of bis­{μ(2)-[(2-imino­cyclo­pentyl­idene)methyl­idene]aza­nido-κ(2) N:N′}bis­[(η(5)-penta­methyl­cyclo­penta­dien­yl)zirconium(IV)] hexane monosolvate
title_full Crystal structure of bis­{μ(2)-[(2-imino­cyclo­pentyl­idene)methyl­idene]aza­nido-κ(2) N:N′}bis­[(η(5)-penta­methyl­cyclo­penta­dien­yl)zirconium(IV)] hexane monosolvate
title_fullStr Crystal structure of bis­{μ(2)-[(2-imino­cyclo­pentyl­idene)methyl­idene]aza­nido-κ(2) N:N′}bis­[(η(5)-penta­methyl­cyclo­penta­dien­yl)zirconium(IV)] hexane monosolvate
title_full_unstemmed Crystal structure of bis­{μ(2)-[(2-imino­cyclo­pentyl­idene)methyl­idene]aza­nido-κ(2) N:N′}bis­[(η(5)-penta­methyl­cyclo­penta­dien­yl)zirconium(IV)] hexane monosolvate
title_short Crystal structure of bis­{μ(2)-[(2-imino­cyclo­pentyl­idene)methyl­idene]aza­nido-κ(2) N:N′}bis­[(η(5)-penta­methyl­cyclo­penta­dien­yl)zirconium(IV)] hexane monosolvate
title_sort crystal structure of bis­{μ(2)-[(2-imino­cyclo­pentyl­idene)methyl­idene]aza­nido-κ(2) n:n′}bis­[(η(5)-penta­methyl­cyclo­penta­dien­yl)zirconium(iv)] hexane monosolvate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719842/
https://www.ncbi.nlm.nih.gov/pubmed/26870433
http://dx.doi.org/10.1107/S2056989015021234
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