Information card for entry 7039740

Structure parameters

• Formula: C87 H89 N9 O6 Pb U
• Calculated formula: C87 H89 N9 O6 Pb U
• SMILES: C1(CC)(CC)c2ccc3C=[N]4c5cccc6c5cc5c(c6)cccc5[N]5=Cc6ccc7C(CC)(CC)c8ccc(C=[N]9c%10cccc%11c%10cc%10c(c%11)cccc%10[N]%10=Cc%11ccc1n%11[U]4%10(n23)(=O)(=O)[O]=n1ccccc1)n8[Pb]59(n67)[O]1CCCC1.c1ccccc1.c1ccccc1.C1CCOC1.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: 22.255 ± 0.0003 Å
• b: 16.4556 ± 0.0003 Å
• c: 23.0701 ± 0.0004 Å
• α: 90°
• β: 105.36 ± 0.002°
• γ: 90°
• Cell volume: 8146.9 ± 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: 0.0637
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No