Information card for entry 7124925

Structure parameters

• Common name: no
• Chemical name: salt of triscandiumnitride endofullerene C80 with sodium cryptand cation
• Formula: C211 H82 Cl5 N6 Na2 O12 Sc6
• Calculated formula: C211 H82 Cl5 N6 Na2 O12 Sc6
• Title of publication: A crystalline anionic complex of scandium nitride endometallofullerene: experimental observation of single-bonded (Sc3N@Ih-C80(-))2 dimers.
• Authors of publication: Konarev, Dmitri V.; Zorina, Leokadiya V.; Khasanov, Salavat S.; Popov, Alexey A.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 71
• Pages of publication: 10763 - 10766
• a: 15.1344 ± 0.0009 Å
• b: 20.6079 ± 0.0013 Å
• c: 21.8351 ± 0.0012 Å
• α: 90°
• β: 90.019 ± 0.006°
• γ: 90°
• Cell volume: 6810.1 ± 0.7 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2389
• Residual factor for significantly intense reflections: 0.1401
• Weighted residual factors for significantly intense reflections: 0.3451
• Weighted residual factors for all reflections included in the refinement: 0.3943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.319
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No