title: Structures of anhydrous and hydrated copper(II) hexafluoroacetylacetonate.
abstract: Crystal structure analyses are reported for anhydrous copper(II) hexafluoroacetylacetonate (Cu(hfac)(2)) and for two of its hydrates. The anhydrous compound (Cu(hfac)(2), 1: P1; at 100 K, a = 5.428(1), b = 5.849(1), c = 11.516(3) A; alpha = 81.47(2), beta = 74.57(2), gamma = 86.96(2) degrees; Z = 1) contains centrosymmetric square-planar complexes with close intermolecular Cu.F contacts. The geometry of the complex is similar to that previously reported for Cu(hfac)(2).toluene. The monoaquo compound (Cu(hfac)(2)(H(2)O), 2: P2(1)/c; at 100 K, a = 10.8300(8), b = 6.5400(6), c = 21.551(3) A; beta = 90.282(8) degrees; Z = 4) consists of square-pyramidal molecules with apical H(2)O ligands, and close-lying F atoms in the sixth coordination sites. The major difference between this structure and the two other polymorphs previously reported is the nature and direction of hydrogen bonds. The yellow-green solid formed from Cu(hfac)(2) with excess H(2)O is identified as the trihydrate. In crystalline form it is the previously unreported [trans-Cu(hfac)(2)(H(2)O)(2)].H(2)O (3: P1; at 150 K, a = 8.3899(3), b = 9.6011(3), c = 11.4852(4) A; alpha = 72.397(2), beta = 79.161(2), gamma = 87.843(2) degrees; Z = 2). There is no conclusive evidence in favor of any solid with the composition Cu(hfac)(2).2H(2)O.
authors.affiliation: Department of Chemistry, Louisiana State University, Baton Rouge, Louisiana 70803-1804, USA. maverick@lsu.edu
authors.forename: Andrew W
authors.initials: AW
authors.lastname: Maverick
authors.forename: Frank R
authors.initials: FR
authors.lastname: Fronczek
authors.forename: Emily F
authors.initials: EF
authors.lastname: Maverick
authors.forename: Damon R
authors.initials: DR
authors.lastname: Billodeaux
authors.forename: Zuzanna T
authors.initials: ZT
authors.lastname: Cygan
authors.forename: Ralph A
authors.initials: RA
authors.lastname: Isovitsch