Information card for entry 7039737

Structure parameters

• Formula: C46 H48 N8 O3 Pb U
• Calculated formula: C46 H48 N8 O3 Pb U
• SMILES: [U]1234([N]5=Cc6n3c(cc6)C(c3n4c(C=[N]1c1c([N]4=Cc6n7[Pb]48(O2)n2c(C(c7cc6)(C)C)ccc2C=[N]8c2c5cc(c(c2)C)C)cc(c(c1)C)C)cc3)(C)C)(=O)[O]1CCCC1
• 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: 12.9064 ± 0.0004 Å
• b: 14.3173 ± 0.0003 Å
• c: 17.8924 ± 0.0005 Å
• α: 106.269 ± 0.002°
• β: 97.424 ± 0.002°
• γ: 101.336 ± 0.002°
• Cell volume: 3051.71 ± 0.15 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: 0.1144
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1814
• Weighted residual factors for all reflections included in the refinement: 0.2039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No