Information card for entry 7001896

Structure parameters

• Formula: C150 H115 O25 Tb5
• Calculated formula: C150 H115 O25 Tb5
• SMILES: [Tb]123456([O]78[Tb]9%10%11%12%13([O]%14[Tb]%15%168([O]1[Tb]18%17%14([O]9[Tb]9%147([O]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)OC(=CC(=[O]%17)c1ccccc1)c1ccccc1)([O]%13C(=CC(=[O]%15)c1ccccc1)c1ccccc1)([O]=C(C=C(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: 22.2773 ± 0.0006 Å
• b: 17.4038 ± 0.0006 Å
• c: 35.7676 ± 0.0009 Å
• α: 90°
• β: 100.387 ± 0.002°
• γ: 90°
• Cell volume: 13640.2 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1621
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections: 0.1802
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1676
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No