Information card for entry 7039734

Structure parameters

• Formula: C88 H78 N14 O3 Pb U
• Calculated formula: C88 H78 N14 O3 Pb U
• SMILES: [U]123(=O)(=O)([N]4=Cc5n1c(cc5)C(c1n2c(cc1)C=[N]3c1c2c(cc3c(c2)c([N]2=Cc5n6[Pb]27(n2c(C(CC)(c6cc5)CC)ccc2C=[N]7c2c5c(cc6c(c4ccc6)c5)ccc2)[n]2ccccc2)ccc3)ccc1)(CC)CC)[O]=n1ccccc1.c1ccncc1.n1ccccc1.c1ncccc1.c1cccnc1
• 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: 13.4766 ± 0.0002 Å
• b: 14.4442 ± 0.0002 Å
• c: 23.4695 ± 0.0003 Å
• α: 97.652 ± 0.001°
• β: 97.141 ± 0.001°
• γ: 110.056 ± 0.001°
• Cell volume: 4181.79 ± 0.11 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No