Information card for entry 7210413

Structure parameters

• Formula: C46 H44 N6 Ni O25 U2
• Calculated formula: C46 H42 N6 Ni O25 U2
• Title of publication: Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors
• Authors of publication: Thuéry, Pierre
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 33
• Pages of publication: 6533
• a: 8.2664 ± 0.0002 Å
• b: 24.604 ± 0.0009 Å
• c: 25.7372 ± 0.001 Å
• α: 90°
• β: 91.575 ± 0.002°
• γ: 90°
• Cell volume: 5232.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0543
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No