Information card for entry 7115428

Structure parameters

• Formula: C12 H56 Be N6 O44 W12
• Calculated formula: C12 H48 Be N6 O44 W12
• Title of publication: Synthesis and characterization of a new Keggin anion: [BeW12O40]^6-^
• Authors of publication: Alexander V. Anyushin; Anton I. Smolentsev; Dmitry A. Mainichev; Cristian Vicent; Artem L. Gushchin; Maxim N. Sokolov; Vladimir P. Fedin
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 9083
• a: 13.1943 ± 0.0003 Å
• b: 19.4817 ± 0.0005 Å
• c: 21.0895 ± 0.0005 Å
• α: 90°
• β: 105.218 ± 0.001°
• γ: 90°
• Cell volume: 5230.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No