Information card for entry 7132072

Structure parameters

• Formula: C44 H48 Cl5 P2 Sb
• Calculated formula: C44 H48 Cl5 P2 Sb
• Title of publication: Crystal-glass phase transition enabling reversible fluorescence switching in zero-dimensional antimony halides
• Authors of publication: Yin, Meijuan; Li, Baihan; Yi, Zishuo; Zhang, Yuchi; Xia, Zhiguo; Xu, Yan
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 10.0525 ± 0.0012 Å
• b: 16.9015 ± 0.0017 Å
• c: 13.739 ± 0.002 Å
• α: 90°
• β: 109.287 ± 0.016°
• γ: 90°
• Cell volume: 2203.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0747
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No