Information card for entry 7712708

Structure parameters

• Formula: C12 H25 F6 N24 P
• Calculated formula: C12 H24.9999 F5.9994 N24 P
• Title of publication: Two UV Optical Crystals with Strong Optical Anisotropy, Large Band Gaps and α-BBO Type Structure
• Authors of publication: Liu, Lehui; Zhang, Lizhen; yuan, feifei; Huang, Yisheng; Lin, Zhoubin
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 10.8117 ± 0.0008 Å
• b: 10.8117 ± 0.0008 Å
• c: 37.472 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3793.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No