Information card for entry 7209693

Structure parameters

• Formula: C40 H44 N14 Ni2 O34 S2 U2
• Calculated formula: C40 H44 N14 Ni2 O34 S2 U2
• 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: 9.8594 ± 0.0005 Å
• b: 11.6695 ± 0.0007 Å
• c: 14.334 ± 0.0007 Å
• α: 70.785 ± 0.003°
• β: 77.639 ± 0.003°
• γ: 71.479 ± 0.002°
• Cell volume: 1465.57 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No