Information card for entry 7244908

Structure parameters

• Chemical name: [HImidazole](NbOF4)
• Formula: C3 H5 F4 N2 Nb O
• Calculated formula: C3 H5 F4 N2 Nb O
• Title of publication: Structural Phase Transition and Switchable Dielectric Behaviour of a One-Dimensional Chains Niobium Oxyfluoride
• Authors of publication: Feng, Yan; Wang, Ze-Jie; Li, Long-He; Liao, Rong-Meng; Hu, Zhao-Bo; Li, Jian-Rong; Shi, Chao; Ye, Heng-Yun
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 13.529 ± 0.001 Å
• b: 6.8257 ± 0.0005 Å
• c: 3.9372 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 363.58 ± 0.04 ų
• Cell temperature: 305.38 ± 0.1 K
• Ambient diffraction temperature: 305.38 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 51
• Hermann-Mauguin space group symbol: P m m a
• Hall space group symbol: -P 2a 2a
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No