Information card for entry 4071222

Structure parameters

• Formula: C22 H56 I2 Si8
• Calculated formula: C22 H56 I2 Si8
• SMILES: C(=C\C=C(/I)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(I)/[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Group 4 Metallocene Complexes of Tris(trimethylsilyl)silylacetylene and Related Alkynes
• Authors of publication: Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 11
• Pages of publication: 2570
• a: 8.7389 ± 0.0017 Å
• b: 9.4834 ± 0.0019 Å
• c: 13.512 ± 0.003 Å
• α: 97.87 ± 0.03°
• β: 92.04 ± 0.03°
• γ: 117.03 ± 0.03°
• Cell volume: 982 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1351
• Residual factor for significantly intense reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.2005
• Weighted residual factors for all reflections included in the refinement: 0.2262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No