Information card for entry 7209692

Structure parameters

• Formula: C18 H12 N2 O9 S U
• Calculated formula: C18 H12 N2 O9 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: 9.0811 ± 0.0006 Å
• b: 9.5438 ± 0.0005 Å
• c: 12.3439 ± 0.0009 Å
• α: 78.643 ± 0.004°
• β: 71.021 ± 0.003°
• γ: 67.775 ± 0.004°
• Cell volume: 933.16 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0378
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No