Information card for entry 4114097

Structure parameters

• Formula: C72 H102 Pb3
• Calculated formula: C71.98 H101.95 Pb3
• SMILES: [Pb]1([Pb]([Pb]1(c1c(cc(cc1CC)CC)CC)c1c(cc(cc1CC)CC)CC)(c1c(cc(cc1CC)CC)CC)c1c(cc(cc1CC)CC)CC)(c1c(cc(cc1CC)CC)CC)c1c(cc(cc1CC)CC)CC
• Title of publication: Hexaarylcyclotriplumbane: A Molecule with a Homonuclear Ring System of Lead
• Authors of publication: Frank Stabenow; Wolfgang Saak; Heinrich Marsmann; Manfred Weidenbruch
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 10172 - 10173
• a: 13.1218 ± 0.0006 Å
• b: 13.1291 ± 0.0005 Å
• c: 20.8767 ± 0.0011 Å
• α: 94.223 ± 0.005°
• β: 98.564 ± 0.006°
• γ: 105.832 ± 0.005°
• Cell volume: 3396.8 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No