Information card for entry 1565074

Structure parameters

• Formula: C18 H24 Cl2 N2 O4
• Calculated formula: C18 H24 Cl2 N2 O4
• SMILES: [Cl-].[Cl-].c12OCOc1ccc(CC[NH3+])c2.c1(CC[NH3+])cc2c(OCO2)cc1
• Title of publication: A metal-free 2D layered organic ammonium halide framework realizing full-color persistent room-temperature phosphorescence
• Authors of publication: Feng, Shangwei; Huang, Qiuqin; Yang, Shuming; Lin, Zhenghuan; Ling, Qidan
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 5.97246 ± 0.00016 Å
• b: 9.0205 ± 0.0002 Å
• c: 36.0997 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1944.86 ± 0.08 ų
• Cell temperature: 292.9 ± 0.6 K
• Ambient diffraction temperature: 292.9 ± 0.6 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P b c 21
• Hall space group symbol: P 2c -2b
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.2492
• Weighted residual factors for all reflections included in the refinement: 0.2533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No