Information card for entry 4503527

Structure parameters

• Formula: C16 H12 N4 O22 Rb2 U
• Calculated formula: C16 H12 N4 O22 Rb2 U
• SMILES: [U]1234(OC(=O)c5[n]3c(c(C(=O)O)nc5C(=O)O)C(=O)O1)(=O)(OC(=O)c1c(C(=O)O)nc(c(C(=O)O2)[n]14)C(=O)O)=O.[Rb+].O.O.[Rb+].O.O
• Title of publication: Pyrazinetetracarboxylic Acid as an Assembler Ligand in Uranyl−Organic Frameworks
• Authors of publication: Masci, Bernardo; Thuéry, Pierre
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 1689
• a: 8.0501 ± 0.0005 Å
• b: 8.7608 ± 0.0006 Å
• c: 10.3486 ± 0.0005 Å
• α: 109.559 ± 0.004°
• β: 107.331 ± 0.004°
• γ: 90.071 ± 0.003°
• Cell volume: 652.35 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.031
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No