dc.contributor.author | SENGE, MATHIAS | |
dc.date.accessioned | 2015-12-14T11:58:05Z | |
dc.date.available | 2015-12-14T11:58:05Z | |
dc.date.issued | 2015 | |
dc.date.submitted | 2015 | en |
dc.identifier.citation | Flanagan, K. J.; Mothi, E. M.; Kötzner, L.; Senge, M. O., Crystal structure of [5-n-butyl-10-(2,5-dimethoxyphenyl)-2,3,7,8,12,13,17,18-octaethylporphyrinato]nickel(II), Acta Crystallographica, E71, 2015, 1397 1400 | en |
dc.identifier.other | Y | |
dc.identifier.uri | http://hdl.handle.net/2262/75307 | |
dc.description | PUBLISHED | en |
dc.description.abstract | The asymmetric unit of the title nickel(II) porphyrin, [Ni(C48H60N4O2)],
contains one independent molecule. The average Ni—N bond length is
1.917 (13) A˚ . The molecules are arranged in a closely spaced lattice structure
in which neighbouring porphyrins are oriented in inversion-related dimers. The
nickel(II) porphyrin is characterized by a significant degree of a ruffled (B1u)
conformation with small contributions from saddle (B2u) and wave (y) [Eg(y)], as
determined using normal structural decomposition. Disorder in the 2,5-dimethoxyphenyl
substituent was modelled over two positions with a 60%
occupancy for the major moiety. One of the ethyl groups is also disordered over
two positions and was modelled with the major moiety being present in 51.3%
occupancy. | en |
dc.format.extent | 1397 1400 | en |
dc.language.iso | en | en |
dc.relation.ispartofseries | Acta Crystallographica; | |
dc.relation.ispartofseries | E71; | |
dc.rights | Y | en |
dc.subject | Crystallography | en |
dc.title | Crystal structure of [5-n-butyl-10-(2,5-dimethoxyphenyl)-2,3,7,8,12,13,17,18-octaethylporphyrinato]nickel(II) | en |
dc.type | Journal Article | en |
dc.type.supercollection | scholarly_publications | en |
dc.type.supercollection | refereed_publications | en |
dc.identifier.peoplefinderurl | http://people.tcd.ie/sengem | |
dc.identifier.rssinternalid | 109060 | |
dc.identifier.doi | 10.1107/S2056989015020058 | |
dc.rights.ecaccessrights | openAccess | |