Information card for entry 4117786

Structure parameters

• Formula: C32 H96 Pb2 Si16
• Calculated formula: C32 H96 Pb2 Si16
• SMILES: [Pb]1([Pb]2[Si]([Si]([Si]([Si]2([Si](C)(C)C)[Si](C)(C)C)(C)C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[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
• 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: 15.913 ± 0.003 Å
• b: 18.062 ± 0.004 Å
• c: 23.793 ± 0.005 Å
• α: 90°
• β: 98.49 ± 0.03°
• γ: 90°
• Cell volume: 6764 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1085
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No