Information card for entry 7001897

Structure parameters

• Formula: C150 H115 Eu5 O25
• Calculated formula: C150 H115 Eu5 O25
• SMILES: [Eu]123456([OH]78[Eu]9%10%11%12%13([OH]%14[Eu]%15%168([OH]1[Eu]18%17%14([OH]9[Eu]9%147([OH]21)([O]%11C(=CC(=[O]%10)c1ccccc1)c1ccccc1)(OC(=CC(=[O]9)c1ccccc1)c1ccccc1)[O]=C(C=C([O]5%14)c1ccccc1)c1ccccc1)(OC(=CC(=[O]8)c1ccccc1)c1ccccc1)[O]=C(C=C(O%17)c1ccccc1)c1ccccc1)([O]%13C(=CC(=[O]%15)c1ccccc1)c1ccccc1)(OC(=CC(=[O]%16)c1ccccc1)c1ccccc1)[O]4C(=CC(=[O]3)c1ccccc1)c1ccccc1)[O]=C(C=C(O%12)c1ccccc1)c1ccccc1)OC(=CC(=[O]6)c1ccccc1)c1ccccc1
• Title of publication: Luminescence spectroscopy of europium(III) and terbium(III) penta-, octa- and nonanuclear clusters with β-diketonate ligands
• Authors of publication: Petit, Sarah; Baril-Robert, François; Pilet, Guillaume; Reber, Christian; Luneau, Dominique
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 34
• Pages of publication: 6809 - 6815
• a: 22.0525 ± 0.0007 Å
• b: 17.3193 ± 0.0007 Å
• c: 35.4127 ± 0.0013 Å
• α: 90°
• β: 101.051 ± 0.002°
• γ: 90°
• Cell volume: 13274.5 ± 0.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• 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: 0.1112
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections: 0.1141
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0834
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No