Information card for entry 7039739

Structure parameters

• Formula: C52 H50 N10 O2 Pb U
• Calculated formula: C52 H50 N10 O2 Pb U
• SMILES: [U]123(=O)([n]4ccccc4)(n4c5C(c6n1c(C=[N]2c1c([N]2=Cc7n8[Pb]29(n2c(ccc2C(C)(c8cc7)C)C=[N]9c2c([N]3=Cc4cc5)cc(c(c2)C)C)[n]2ccccc2)cc(c(c1)C)C)cc6)(C)C)=O
• Title of publication: Controlling uranyl oxo group interactions to group 14 elements using polypyrrolic Schiff-base macrocyclic ligands.
• Authors of publication: Bell, Nicola L.; Arnold, Polly L.; Love, Jason B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 40
• Pages of publication: 15902 - 15909
• a: 10.8424 ± 0.0003 Å
• b: 15.8907 ± 0.0003 Å
• c: 33.2881 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5735.3 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1163
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No