Information card for entry 7039738

Structure parameters

• Formula: C52 H50 N10 O3 Pb U
• Calculated formula: C52 H50 N10 O3 Pb U
• SMILES: [U]1234(=O)([N]5c6c([N]7=Cc8n9[Pb]7%10(O2)(n2c(ccc2C=[N]%10c2cc(c(cc2[N]1=Cc1n4c(C(c2n3c(C=5)cc2)(C)C)cc1)C)C)C(c9cc8)(C)C)[n]1ccccc1)cc(c(c6)C)C)[O]=n1ccccc1
• 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: 13.4429 ± 0.0002 Å
• b: 19.5975 ± 0.0003 Å
• c: 21.9112 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5772.45 ± 0.16 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: 0.0527
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No