Information card for entry 2007939

Structure parameters

• Formula: Ce2 H40 N8 O36 S8
• Calculated formula: Ce2 H40 N8 O36 S8
• SMILES: [Ce]12345(OS(=O)(=O)O1)(OS(=O)(O2)=O)(OS(=O)(=O)O3)OS1(=[O][Ce]236(OS(=O)(=O)O3)(OS(=O)(=O)O2)(OS(=[O]4)(=O)O5)(OS(=O)(=O)O6)O1)=O.[NH4+].[NH4+].[NH4+].[NH4+].O.O.[NH4+].[NH4+].[NH4+].[NH4+].O.O
• Title of publication: (NH~4~)~8~[Ce~2~(SO~4~)~8~] .4H~2~O
• Authors of publication: Yongkui Shan; Songping D. Huang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1744 - 1745
• a: 12.6472 ± 0.0007 Å
• b: 11.3613 ± 0.0006 Å
• c: 13.6908 ± 0.0007 Å
• α: 90°
• β: 110.363 ± 0.001°
• γ: 90°
• Cell volume: 1844.28 ± 0.17 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 5
• 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: 0.027
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for all reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.034
• Goodness-of-fit parameter for all reflections: 0.942
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No