Information card for entry 2205679

Structure parameters

• Chemical name: Poly[N,N,N',N'-tetramethylpropane-1,3-diaminium [aquatetraoxotri-μ~3~-sulfato-diuranate(VI)]]
• Formula: C7 H22 N2 O17 S3 U2
• Calculated formula: C7 H22 N2 O17 S3 U2
• Title of publication: (C~7~H~20~N~2~)[(UO~2~)~2~(SO~4~)~3~(H~2~O)]: an organically templated uranium sulfate with a novel layer topology
• Authors of publication: Norquist, Alexander J.; Doran, Michael B.; O'Hare, Dermot
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m807 - m810
• a: 6.7861 ± 0.0001 Å
• b: 8.5143 ± 0.0001 Å
• c: 19.0442 ± 0.0003 Å
• α: 88.623 ± 0.0009°
• β: 81.6364 ± 0.0008°
• γ: 84.8577 ± 0.0006°
• Cell volume: 1084.2 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections: 0.1002
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No