Information card for entry 7243678

Structure parameters

• Formula: C32 H26 N7 Ni O12.5 U
• Calculated formula: C32 H25 N7 Ni O12.5 U
• Title of publication: Uranyl ion complexes with 2,2′:6′,2′′-terpyridine-4′-carboxylate. Interpenetration of networks involving “expanded ligands”
• Authors of publication: Thuéry, Pierre; Harrowfield, Jack
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 41
• Pages of publication: 7305 - 7313
• a: 8.7682 ± 0.0002 Å
• b: 16.9333 ± 0.0005 Å
• c: 28.1757 ± 0.0007 Å
• α: 90°
• β: 98.6612 ± 0.0013°
• γ: 90°
• Cell volume: 4135.67 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No