{"title":"Tetra-aqua-dodekakis-μ<sub>2</sub>-chlorido-di-iodido-<i>octa-hedro</i>-hexa-niobium(12 <i>Nb</i>-<i>Nb</i>) tetra-hydro-furan octa-solvate.","authors":"Florian Schröder, Martin Köckerling","doi":"10.1107/S2414314622006186","DOIUrl":null,"url":null,"abstract":"<p><p>The title compound, [Nb<sub>6</sub>Cl<sub>12</sub>I<sub>2</sub>(H<sub>2</sub>O)<sub>4</sub>]·8THF (THF is tetra-hydro-furan, C<sub>4</sub>H<sub>8</sub>O), comprises an uncharged niobium cluster unit surrounded by THF solvent mol-ecules. The edges of the {Nb<sub>6</sub>} octa-hedron are <i>μ</i> <sub>2</sub>-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<sub>6</sub>} 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).</p>","PeriodicalId":14692,"journal":{"name":"IUCrData","volume":"7 Pt 6","pages":"x220618"},"PeriodicalIF":0.0000,"publicationDate":"2022-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462034/pdf/","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"IUCrData","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1107/S2414314622006186","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2022/6/1 0:00:00","PubModel":"eCollection","JCR":"","JCRName":"","Score":null,"Total":0}
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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 μ2-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).
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