Information card for entry 7117197

Structure parameters

• Formula: C90 H106 Cl4 N10 O92.75 V16
• Calculated formula: C90 H106 Cl4 N10 O92.75 V16
• Title of publication: A new family of anionic organic-inorganic hybrid doughnut-like nanostructures
• Authors of publication: Zhuxiu Zhang; Wen-Yang Gao; Lukasz Wojtas; Zhenjie Zhang; Michael J. Zaworotko
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 9223
• a: 21.2958 ± 0.0006 Å
• b: 21.33 ± 0.0006 Å
• c: 21.9581 ± 0.0006 Å
• α: 90°
• β: 105.868 ± 0.0013°
• γ: 90°
• Cell volume: 9594.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1453
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.2376
• Weighted residual factors for all reflections included in the refinement: 0.2886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No