Information card for entry 4345648

Structure parameters

• Formula: C69 H64 Eu N O8
• Calculated formula: C69 H64 Eu N O8
• SMILES: [Eu]1234(OC(=CC(=[O]1)c1ccccc1)c1ccccc1)(OC(=CC(=[O]2)c1ccccc1)c1ccccc1)(OC(=CC(=[O]3)c1ccccc1)c1ccccc1)OC(=CC(=[O]4)c1ccccc1)c1ccccc1.[NH2+]1C(CCCC1(C)C)(C)C
• Title of publication: Mechanistic Investigation of Inducing Triboluminescence in Lanthanide(III) β-Diketonate Complexes.
• Authors of publication: Wong, Ho-Yin; Lo, Wai-Sum; Chan, Wesley Ting Kwok; Law, Ga-Lai
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 5135 - 5140
• a: 24.819 ± 0.0012 Å
• b: 10.0187 ± 0.0005 Å
• c: 24.1023 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5993.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No