Information card for entry 4004026

Structure parameters

• Formula: C24 H42 Ca5 O22 S2
• Calculated formula: C24 H42 Ca5 O22 S2
• Title of publication: Color-Tunable Long-Lived Room-Temperature Phosphorescence in a Coordination Polymer Based on a Nonaromatic Ligand and Its Phosphor/Coordination Polymer-Doped Systems
• Authors of publication: Yin, Yu-Jie; Zhao, He; Zhang, Lingwen; Huang, Jiaxiang; Zhang, Jian-Jun; Chen, Jun; Ni, Jun; Song, Bo; Liu, Shuqin; Duan, Chunying
• Journal of publication: Chemistry of Materials
• Year of publication: 2021
• Journal volume: 33
• Journal issue: 18
• Pages of publication: 7272 - 7282
• a: 10.3586 ± 0.0003 Å
• b: 12.474 ± 0.0004 Å
• c: 16.2912 ± 0.0005 Å
• α: 90°
• β: 93.407 ± 0.001°
• γ: 90°
• Cell volume: 2101.32 ± 0.11 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0486
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No