title: Expansion of the Ligand Knowledge Base for Chelating P,P-Donor Ligands (LKB-PP).
abstract: We have expanded the ligand knowledge base for bidentate P,P- and P,N-donor ligands (LKB-PP, Organometallics2008, 31, 1372-1383) by 208 ligands and introduced an additional steric descriptor (nHe8). This expanded knowledge base now captures information on 334 bidentate ligands and has been processed with principal component analysis (PCA) of the descriptors to produce a detailed map of bidentate ligand space, which better captures ligand variation and has been used for the analysis of ligand properties.
authors.affiliation: School of Chemistry, University of Bristol , Cantock's Close, Bristol BS8 1TS, U.K.
authors.forename: Jesús
authors.initials: J
authors.lastname: Jover
authors.affiliation: School of Chemistry, University of Bristol , Cantock's Close, Bristol BS8 1TS, U.K.
authors.forename: Natalie
authors.initials: N
authors.lastname: Fey
authors.affiliation: School of Chemistry, University of Bristol , Cantock's Close, Bristol BS8 1TS, U.K.
authors.forename: Jeremy N
authors.initials: JN
authors.lastname: Harvey
authors.affiliation: School of Chemistry, University of Bristol , Cantock's Close, Bristol BS8 1TS, U.K.
authors.forename: Guy C
authors.initials: GC
authors.lastname: Lloyd-Jones
authors.affiliation: School of Chemistry, University of Bristol , Cantock's Close, Bristol BS8 1TS, U.K.
authors.forename: A Guy
authors.initials: AG
authors.lastname: Orpen
authors.affiliation: School of Chemistry, University of Bristol , Cantock's Close, Bristol BS8 1TS, U.K.
authors.forename: Gareth J J
authors.initials: GJ
authors.lastname: Owen-Smith
authors.affiliation: AstraZeneca Pharmaceutical Development , Silk Road Business Park, Charter Way, Macclesfield, Cheshire SK10 2NA, U.K.
authors.forename: Paul
authors.initials: P
authors.lastname: Murray
authors.affiliation: AstraZeneca Pharmaceutical Development , Silk Road Business Park, Charter Way, Macclesfield, Cheshire SK10 2NA, U.K.
authors.forename: David R J
authors.initials: DR
authors.lastname: Hose
authors.affiliation: AstraZeneca Pharmaceutical Development , Silk Road Business Park, Charter Way, Macclesfield, Cheshire SK10 2NA, U.K.
authors.forename: Robert
authors.initials: R
authors.lastname: Osborne
authors.affiliation: AstraZeneca Pharmaceutical Development , Silk Road Business Park, Charter Way, Macclesfield, Cheshire SK10 2NA, U.K.
authors.forename: Mark
authors.initials: M
authors.lastname: Purdie