Information card for entry 4117785

Structure parameters

• Formula: C34 H48 B F15 Pb Si8
• Calculated formula: C34 H48 B F15 Pb Si8
• SMILES: [Pb]1([Si]([Si]([Si]([Si]1([Si](C)(C)C)[Si](C)(C)C)(C)C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Dispersion Energy Enforced Dimerization of a Cyclic Disilylated Plumbylene
• Authors of publication: Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 6409 - 6415
• a: 11.896 ± 0.002 Å
• b: 12.182 ± 0.002 Å
• c: 20.051 ± 0.004 Å
• α: 81.96 ± 0.03°
• β: 74.89 ± 0.03°
• γ: 61.25 ± 0.03°
• Cell volume: 2459.1 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No