Information card for entry 4327940

Structure parameters

• Formula: C60 Er N9 O30 V10
• Calculated formula: C60 Er N9 O30 V10
• Title of publication: Lanthanide Complexes of Macrocyclic Polyoxovanadates by VO4 Units: Synthesis, Characterization, and Structure Elucidation by X-ray Crystallography and EXAFS Spectroscopy
• Authors of publication: Masaki Nishio; Shinnosuke Inami; Misaki Katayama; Kazuhiko Ozutsumi; Yoshihito Hayashi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 784 - 793
• a: 15.0151 ± 0.0013 Å
• b: 14.7369 ± 0.001 Å
• c: 21.531 ± 0.002 Å
• α: 90°
• β: 100.45 ± 0.003°
• γ: 90°
• Cell volume: 4685.3 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.229
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No