Information card for entry 4308581

Structure parameters

• Formula: C20 H24 Cu F5 N8 Nb O
• Calculated formula: C20 H24 Cu F5 N8 Nb O
• Title of publication: Examining the Out-of-Center Distortion in the [NbOF5]2- Anion
• Authors of publication: Heather K. Izumi; Janet E. Kirsch; Charlotte L. Stern; Kenneth R. Poeppelmeier
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 884 - 895
• a: 8.8224 ± 0.0014 Å
• b: 16.385 ± 0.003 Å
• c: 8.902 ± 0.0014 Å
• α: 90°
• β: 109.27 ± 0.002°
• γ: 90°
• Cell volume: 1214.7 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• 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: 0.0499
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No