Information card for entry 4003482

Structure parameters

• Chemical name: LiHCB11H5Cl6
• Formula: C H6 B11 Cl6 Li
• Calculated formula: C H6 B11 Cl6 Li
• SMILES: [BH]1234[BH]567[B]891(Cl)[B]1%104([BH]4%113[CH]325[BH]254[BH]463[B]378([B]69%10([B]1%112([B]5436Cl)Cl)Cl)Cl)Cl.[Li+]
• Title of publication: Understanding Superionic Conductivity in Lithium and Sodium Salts of Weakly Coordinating Closo-Hexahalocarbaborate Anions
• Authors of publication: Jørgensen, Mathias; Shea, Patrick T.; Tomich, Anton W.; Varley, Joel B.; Bercx, Marnik; Lovera, Sergio; Černý, Radovan; Zhou, Wei; Udovic, Terrence J.; Lavallo, Vincent; Jensen, Torben R.; Wood, Brandon C.; Stavila, Vitalie
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• a: 11.6879 ± 0.0006 Å
• b: 11.1093 ± 0.0005 Å
• c: 11.3771 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1477.25 ± 0.12 ų
• Cell temperature: 373 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor R(I) for significantly intense reflections: 5.4943
• Method of determination: powder diffraction
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No