Information card for entry 7210412

Structure parameters

• Formula: C54 H48 Mn N12 O28 U6
• Calculated formula: C54 H48 Mn N12 O28 U6
• 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: 14.6158 ± 0.0009 Å
• b: 16.9169 ± 0.0005 Å
• c: 27.9857 ± 0.0017 Å
• α: 90°
• β: 102.458 ± 0.003°
• γ: 90°
• Cell volume: 6756.7 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 0.87
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No