Information card for entry 4128785

Structure parameters

• Formula: C66 H90 Br2 Pb2 Si2
• Calculated formula: C66 H90 Br2 Pb2 Si2
• SMILES: c1(c(cc(cc1c1c(cccc1C(C)C)C(C)C)[Si](C)(C)C)c1c(cccc1C(C)C)C(C)C)[Pb]1[Br][Pb](c2c(cc(cc2c2c(cccc2C(C)C)C(C)C)[Si](C)(C)C)c2c(cccc2C(C)C)C(C)C)[Br]1
• 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: 11.3682 ± 0.0009 Å
• b: 12.7595 ± 0.001 Å
• c: 12.9493 ± 0.001 Å
• α: 94.563 ± 0.0012°
• β: 103.15 ± 0.001°
• γ: 114.102 ± 0.001°
• Cell volume: 1637.9 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No