Information card for entry 1573834

Structure parameters

• Formula: C12 H18 F6 N4 P
• Calculated formula: C12 H18 F6 N4 P
• SMILES: C(c1ccncc1)[NH3+].[P](F)(F)(F)(F)(F)[F-].C(c1ccncc1)[NH3+]
• Title of publication: Thermal-responsive luminescence/dielectric responses with reversibly shifted light emissions.
• Authors of publication: Zhu, Ming; Huang, Pei-Zhi; Li, Lin-Mei; Yang, Yi-Xuan; Pan, Lei; Wang, Zhi-Jie; Ni, Hao-Fei; Zhang, Feng-Wen; Teri, Gele; Zhang, Zhi-Xu; Liu, Zunqi; Fu, Da-Wei; Zhang, Yi
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 9
• Pages of publication: 4101 - 4108
• a: 7.8459 ± 0.0016 Å
• b: 9.828 ± 0.002 Å
• c: 10.5087 ± 0.0015 Å
• α: 90°
• β: 92.439 ± 0.011°
• γ: 90°
• Cell volume: 809.6 ± 0.3 ų
• Cell temperature: 303 K
• Ambient diffraction temperature: 303 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1085
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.2289
• Weighted residual factors for all reflections included in the refinement: 0.2562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No