Tetra-aqua-dodekakis-μ2-chlorido-di-iodido-octa-hedro-hexa-niobium(12 Nb-Nb) tetra-hydro-furan octa-solvate.

IUCrData Pub Date : 2022-06-16 eCollection Date: 2022-06-01 DOI:10.1107/S2414314622006186
Florian Schröder, Martin Köckerling
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Abstract

The title compound, [Nb6Cl12I2(H2O)4]·8THF (THF is tetra-hydro-furan, C4H8O), comprises an uncharged niobium cluster unit surrounded by THF solvent mol-ecules. The edges of the {Nb6} octa-hedron are μ 2-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 {Nb6} 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).

Abstract Image

Abstract Image

Abstract Image

Tetra-aqua-dodekakis-μ2-chlorido-di-iodido-octa-hedro-hexa-niobium(12 Nb-Nb) tetra-hydro-furan octa-solvate。
标题化合物[Nb6Cl12I2(H2O)4]-8THF(THF 指四氢呋喃,C4H8O)由一个不带电的铌簇单元组成,周围环绕着 THF 溶剂分子。{Nb6}八面体的边缘由十二个氯配体配位。在{Nb6}原子八面体的四角结合了四个平面内(赤道面)水配位体和两个在平面上下配位的碘配位体。水配体和四氢呋喃溶剂分子之间形成 O-H⋯O 氢键;一个四氢呋喃分子在两个位置上无序排列,主要成分的位点占有率为 0.64 (2)。
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