Information card for entry 4071221

Structure parameters

• Formula: C32 H64 Si8 Zr
• Calculated formula: C32 H64 Si8 Zr
• SMILES: [cH]12[cH]3[cH]4[Zr]56789%10%11%1213([cH]1[cH]5[cH]7[cH]8[cH]61)([cH]2[cH]4%12)[C](=[C]9=C%11[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)=C%10[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: 28.738 ± 0.006 Å
• b: 16.791 ± 0.006 Å
• c: 9.5167 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4592 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 40
• Hermann-Mauguin space group symbol: A m a 2
• Hall space group symbol: A 2 -2a
• Residual factor for all reflections: 0.1434
• Residual factor for significantly intense reflections: 0.1347
• Weighted residual factors for significantly intense reflections: 0.2873
• Weighted residual factors for all reflections included in the refinement: 0.2927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No