Information card for entry 4105234

Structure parameters

• Formula: C31 H61 P Si6 Zr
• Calculated formula: C31 H61 P Si6 Zr
• SMILES: [Zr]123456789([P](C)(C)C)([Si]([Si]9([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[cH]81.c1ccccc1
• 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: 16.861 ± 0.003 Å
• b: 10.925 ± 0.002 Å
• c: 23.401 ± 0.005 Å
• α: 90°
• β: 110.76 ± 0.03°
• γ: 90°
• Cell volume: 4030.7 ± 1.6 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: 0.0787
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.2189
• Weighted residual factors for all reflections included in the refinement: 0.2438
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No