Schröder Florian, Köckerling Martin
Universität Rostock, Institut für Chemie, Anorganische Festkörperchemie, Albert-Einstein-Str. 3a, D-18059 Rostock, Germany.
IUCrdata. 2022 Jun 16;7(Pt 6):x220618. doi: 10.1107/S2414314622006186. eCollection 2022 Jun.
The title compound, [NbClI(HO)]·8THF (THF is tetra-hydro-furan, CHO), comprises an uncharged niobium cluster unit surrounded by THF solvent mol-ecules. The edges of the {Nb} octa-hedron are -coordinated by twelve chlorido ligands. Four in-plane (equatorial plane) aqua ligands and two iodido ligands coordinating above and below the plane are bound at the corners of the {Nb} atomic octa-hedron. O-H⋯O hydrogen bonds are formed between the aqua ligands and the THF solvent mol-ecules; one THF molecule is disordered over two positions with the major component having a site occupancy of 0.64 (2).
标题化合物[NbClI(HO)]·8THF(THF为四氢呋喃,CHO)包含一个由THF溶剂分子包围的电中性铌簇单元。{Nb}八面体的棱边由十二个氯配体配位。四个面内(赤道平面)水配体以及在该平面上方和下方配位的两个碘配体连接在{Nb}原子八面体的角上。水配体与THF溶剂分子之间形成了O-H⋯O氢键;一个THF分子在两个位置上无序分布,主要组分的位点占有率为0.64 (2)。