Information card for entry 7039741

Structure parameters

• Formula: C70 H72.5 N8 O5 Pb U
• Calculated formula: C70 H72 N8 O5 Pb U
• SMILES: [U]123(=O)(=O)([O]4CCCC4)n4c5C=[N]1c1c6cc7c(N=Cc8n9[Pb]([O]%10CCCC%10)n%10c(C=Nc%11c%12cc%13c([N]3=Cc3n2c(cc3)C(c4cc5)(CC)CC)cccc%13cc%12ccc%11)ccc%10C(c9cc8)(CC)CC)cccc7cc6ccc1.O1CCCC1
• 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: 22.752 ± 0.0002 Å
• b: 22.2812 ± 0.0002 Å
• c: 24.1927 ± 0.0003 Å
• α: 90°
• β: 97.5987 ± 0.001°
• γ: 90°
• Cell volume: 12156.6 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0684
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No