Information card for entry 7039735

Structure parameters

• Formula: C62 H60 N12 Pb2
• Calculated formula: C62 H60 N12 Pb2
• SMILES: [Pb]123([N]4c5cc(c(cc5[N]3=Cc3[n]1c(C(c1[n]5[Pb]67([n]8ccccc8)[n]8c(C=[N]7c7c([N]6=Cc5cc1)cc(c(c7)C)C)ccc8C(C)(c1[n]2c(C=4)cc1)C)(C)C)cc3)C)C)[n]1ccccc1.n1ccccc1.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: 11.5029 ± 0.0003 Å
• b: 13.3149 ± 0.0003 Å
• c: 17.9962 ± 0.0006 Å
• α: 90.548 ± 0.002°
• β: 90.69 ± 0.002°
• γ: 99.117 ± 0.002°
• Cell volume: 2721.1 ± 0.13 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No