Information card for entry 1565980

Structure parameters

• Formula: C108 H62 Ca4 F8 O19
• Calculated formula: C108 H62 Ca4 F8 O19
• Title of publication: Achieving a blue-excitable yellow-emitting Ca-LMOF phosphor via water induced phase transformation
• Authors of publication: Wu, Zhao-Feng; Tan, Bin; Fu, Zhi-Hua; Velasco, Ever; Liu, Xing-Wu; Teat, Simon J.; Zhu, Kun; Xing, Kai; Huang, Xiao-Ying; Li, Jing
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1375 - 1381
• a: 10.0419 ± 0.0005 Å
• b: 15.6393 ± 0.0007 Å
• c: 42.1081 ± 0.0019 Å
• α: 92.477 ± 0.002°
• β: 91.364 ± 0.002°
• γ: 91.427 ± 0.002°
• Cell volume: 6602.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1666
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No