Information card for entry 4128783

Structure parameters

• Formula: C60 H74 Pb2
• Calculated formula: C60 H74 Pb2
• SMILES: c1(c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[Pb][Pb]c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Isolation and Computational Studies of a Series of Terphenyl Substituted Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding Character.
• Authors of publication: Queen, Joshua D.; Bursch, Markus; Seibert, Jakob; Maurer, Leonard R.; Ellis, Bobby D.; Fettinger, James C.; Grimme, Stefan; Power, Philip P.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 36
• Pages of publication: 14370 - 14383
• a: 9.1688 ± 0.0008 Å
• b: 12.7083 ± 0.0011 Å
• c: 13.0164 ± 0.0012 Å
• α: 64.295 ± 0.001°
• β: 81.679 ± 0.001°
• γ: 69.572 ± 0.001°
• Cell volume: 1280.6 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0268
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No