Information card for entry 4345650

Structure parameters

• Formula: C66 H60 Eu N O8
• Calculated formula: C66 H60 Eu N O8
• SMILES: [Eu]1234([O]=C(C=C(O1)c1ccccc1)c1ccccc1)(OC(=CC(=[O]2)c1ccccc1)c1ccccc1)(OC(=CC(=[O]3)c1ccccc1)c1ccccc1)OC(=CC(=[O]4)c1ccccc1)c1ccccc1.[NH+](CC)(CC)CC
• 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: 29.6179 ± 0.001 Å
• b: 9.154 ± 0.0003 Å
• c: 25.3121 ± 0.0008 Å
• α: 90°
• β: 120.165 ± 0.0018°
• γ: 90°
• Cell volume: 5933.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No