Information card for entry 7001894

Structure parameters

• Formula: C110 H120 O33 Y8
• Calculated formula: C110 H194 O33 Y8
• SMILES: [Y]123456(OC(=CC(=[O]6)C(C)(C)C)C(C)(C)C)[OH]6[Y]789%10%11([OH]%12[Y]%13%14%15%16%17([O]17[Y]17%18%19(OC(=CC(=[O]%19)C(C)(C)C)C(C)(C)C)([OH]%13[Y]%13%19%20([OH]21)([OH]%15[Y]1([OH]8%14)([OH]4%13)([OH]5%10)(OC(=CC(C(C)(C)C)=[O]1)C(C)(C)C)[O]=C(C=C(C(C)(C)C)O%20)C(C)(C)C)[O]=C(C(C)(C)C)C=C(C(C)(C)C)O%19)[OH]3[Y]1236([OH]9[Y]4%12(OC(=CC(=[O]4)C(C)(C)C)C(C)(C)C)([OH]71)([OH]%16%18)[O]=C(C=C(C(C)(C)C)O3)C(C)(C)C)[O]=C(C(C)(C)C)C=C(C(C)(C)C)O2)[O]=C(C(C)(C)C)C=C(C(C)(C)C)O%17)[O]=C(C(C)(C)C)C=C(C(C)(C)C)O%11
• 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: 18.2366 ± 0.001 Å
• b: 27.6109 ± 0.001 Å
• c: 31.2719 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15746.3 ± 1.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P c n b
• Hall space group symbol: -P 2b 2ac
• Residual factor for all reflections: 0.3407
• Residual factor for significantly intense reflections: 0.136
• Weighted residual factors for all reflections: 0.1887
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1535
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No