Information card for entry 4071220

Structure parameters

• Formula: C32 H38 Si3 Zr
• Calculated formula: C32 H38 Si3 Zr
• SMILES: [Zr]123456789([cH]%10[cH]4[cH]3[cH]2[cH]1%10)([cH]1[cH]5[cH]6[cH]8[cH]71)C1=C(c2ccccc2)[Si]([Si](C)(C)C)([Si](C)(C)C)C1=C9c1ccccc1
• 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: 9.2332 ± 0.0018 Å
• b: 31.118 ± 0.006 Å
• c: 11.252 ± 0.002 Å
• α: 90°
• β: 109.38 ± 0.03°
• γ: 90°
• Cell volume: 3049.7 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1621
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1728
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No