Information card for entry 4308579

Structure parameters

• Formula: C30 H38 Cu F10 N12 Nb2 O2
• Calculated formula: C30 H38 Cu F10 N12 Nb2 O2
• 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: 20.8745 ± 0.0008 Å
• b: 20.8745 ± 0.0008 Å
• c: 17.2929 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7535.3 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No