Information card for entry 7209695

Structure parameters

• Formula: C12 H13 N2 O11.5 S U
• Calculated formula: C12 H8 N2 O11.5 S U
• Title of publication: One- to three-dimensional uranyl‒organic assemblies with 3-sulfophthalic and 5-sulfoisophthalic acids
• Authors of publication: Thuéry, Pierre
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 13
• Pages of publication: 2401
• a: 11.5202 ± 0.0006 Å
• b: 14.4501 ± 0.001 Å
• c: 22.0213 ± 0.001 Å
• α: 90°
• β: 100.47 ± 0.003°
• γ: 90°
• Cell volume: 3604.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0704
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No