Information card for entry 4063248

Structure parameters

• Formula: C21 H37 Hf P Si2
• Calculated formula: C21 H37 Hf P Si2
• SMILES: [Hf]123456789(C(=C1[Si](C)(C)C)[Si](C)(C)C)([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]6[cH]7[cH]8[cH]91.P(C)(C)C
• Title of publication: Complexation of Bis(trimethylsilyl)acetylene by Decamethylhafnocene To Give the Hafnacyclopropene Cp*2Hf(η2-Me3SiC2SiMe3): An Unusually Strong Metal-Alkyne Interaction
• Authors of publication: Torsten Beweries; Vladimir V. Burlakov; Marc A. Bach; Perdita Arndt; Wolfgang Baumann; Anke Spannenberg; Uwe Rosenthal
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Pages of publication: 247 - 249
• a: 17.049 ± 0.003 Å
• b: 10.321 ± 0.002 Å
• c: 14.731 ± 0.003 Å
• α: 90°
• β: 106.4 ± 0.03°
• γ: 90°
• Cell volume: 2486.6 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0302
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0328
• Weighted residual factors for all reflections included in the refinement: 0.034
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No