Information card for entry 4071211

Structure parameters

• Formula: C24 H47 P Si4 Zr
• Calculated formula: C24 H47 P Si4 Zr
• SMILES: [Zr]123456789([cH]%10[cH]4[cH]3[cH]2[cH]1%10)([cH]1[cH]5[cH]6[cH]7[cH]81)(C=C9[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[P](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: 17.927 ± 0.004 Å
• b: 11.581 ± 0.002 Å
• c: 17.288 ± 0.003 Å
• α: 90°
• β: 118.57 ± 0.03°
• γ: 90°
• Cell volume: 3152.2 ± 1.4 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: 0.0786
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No