Information card for entry 7218732

Structure parameters

• Formula: C24 H36 Cs2 O32 Sr U4
• Calculated formula: C24 H36 Cs2 O32 Sr U4
• SMILES: C1(C)=[O][U]23(=O)(O1)(OC(=[O]2)C)(=O)[O]=C(C)O3.[Cs+].[Cs+].[Sr+2].C1(C)=[O][U]23(=O)(=O)(O1)(OC(=[O]2)C)[O]=C(C)O3.C1(C)=[O][U]23(=O)(=O)(O1)(OC(=[O]2)C)[O]=C(C)O3.C1(C)=[O][U]23(=O)(=O)(O1)(OC(=[O]2)C)[O]=C(C)O3
• Title of publication: Trinuclear {Sr[UO2L3]2(H2O)4} and pentanuclear {Sr[UO2L3]4}2−uranyl monocarboxylate complexes (L-acetate or n-butyrate ion)
• Authors of publication: Savchenkov, Anton V.; Klepov, Vladislav V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 4
• Pages of publication: 740
• a: 13.741 ± 0.0006 Å
• b: 13.741 ± 0.0006 Å
• c: 13.4117 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2532.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No