Information card for entry 4327938

Structure parameters

• Formula: C168 Dy3 N30 O81.25 V27
• Calculated formula: C168 Dy3 N30 O81.25 V27
• 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: 23.693 ± 0.002 Å
• b: 44.032 ± 0.004 Å
• c: 25.265 ± 0.003 Å
• α: 90°
• β: 95.365 ± 0.002°
• γ: 90°
• Cell volume: 26242 ± 5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1532
• Residual factor for significantly intense reflections: 0.1256
• Weighted residual factors for significantly intense reflections: 0.2935
• Weighted residual factors for all reflections included in the refinement: 0.3091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No