{"title":"Tetra-aqua-dodekakis-μ2-chlorido-di-iodido-octa-hedro-hexa-niobium(12 Nb-Nb) 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":"{\"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}","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}
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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