Information card for entry 7240779

Structure parameters

• Formula: C90 H88 N4 O40 U4
• Calculated formula: C90 H88 N4 O40 U4
• Title of publication: Variability of structural motifs in the crystal structure of U(VI) complexes with p-methoxybenzoic acid
• Authors of publication: Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 9.6028 ± 0.0002 Å
• b: 12.4495 ± 0.0003 Å
• c: 20.1988 ± 0.0005 Å
• α: 79.199 ± 0.001°
• β: 83.798 ± 0.001°
• γ: 84.017 ± 0.001°
• Cell volume: 2349.37 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No