Information card for entry 4105240

Structure parameters

• Formula: C28 H64 Si6 Sn3 Zr
• Calculated formula: C28 H64 Si6 Sn3 Zr
• SMILES: [Zr]123456789([Sn]([Sn]([Sn]1([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([cH]1[cH]5[cH]4[cH]3[cH]21)[cH]1[cH]6[cH]7[cH]8[cH]91
• Title of publication: Group 4 Metallocene Complexes of Disilenes, Digermenes, and a Silagermene
• Authors of publication: Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 15952 - 15962
• a: 10.916 ± 0.002 Å
• b: 11.849 ± 0.002 Å
• c: 17.496 ± 0.003 Å
• α: 87.04 ± 0.03°
• β: 87.75 ± 0.03°
• γ: 76.3 ± 0.03°
• Cell volume: 2194.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1202
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No