Information card for entry 4128784

Structure parameters

• Formula: C70 H100 O Pb2 Si2
• Calculated formula: C70 H100 O Pb2 Si2
• 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: 11.4812 ± 0.0012 Å
• b: 25.639 ± 0.003 Å
• c: 12.8116 ± 0.0014 Å
• α: 90°
• β: 114.588 ± 0.0013°
• γ: 90°
• Cell volume: 3429.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0174
• Residual factor for significantly intense reflections: 0.0162
• Weighted residual factors for significantly intense reflections: 0.0408
• Weighted residual factors for all reflections included in the refinement: 0.0413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No