title: Electronic structure of the mononuclear Ag(ii) complex [Ag([18]aneS(4)O(2))](2+) ([18]aneS(4)O(2) = 1,10-dioxa-4,7,13,16-tetrathiacyclooctadecane).
abstract: The structure of [Ag([18]aneS(4)O(2))](PF(6))(2).CH(2)Cl(2) shows a highly unusual and unexpected boat conformation for the macrocycle with square-planar S(4)-coordination at the formal Ag(ii) centre and the two ether O-centres lying on the same side of the S(4) plane; the SOMO in [Ag([18]aneS(4)O(2))](2+) possesses 22.7% Ag 4d(xy) character, as determined by multi-frequency EPR spectroscopy and supported by DFT calculations.
authors.affiliation: University of Nottingham, Nottingham, UK.
authors.forename: Deguang
authors.initials: D
authors.lastname: Huang
authors.forename: Alexander J
authors.initials: AJ
authors.lastname: Blake
authors.forename: Eric J L
authors.initials: EJ
authors.lastname: McInnes
authors.forename: Jonathan
authors.initials: J
authors.lastname: McMaster
authors.forename: E Stephen
authors.initials: ES
authors.lastname: Davies
authors.forename: Claire
authors.initials: C
authors.lastname: Wilson
authors.forename: Joanna
authors.initials: J
authors.lastname: Wolowska
authors.forename: Martin
authors.initials: M
authors.lastname: Schröder