Information card for entry 4063249

Structure parameters

• Formula: C28 H48 Hf Si2
• Calculated formula: C28 H48 Hf Si2
• SMILES: C1(=C([Hf]234567891([c]1([c]5([c]4([c]3([c]21C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C)[Si](C)(C)C)[Si](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: 9.1752 ± 0.0005 Å
• b: 10.2781 ± 0.0006 Å
• c: 17.3302 ± 0.001 Å
• α: 79.114 ± 0.005°
• β: 75.599 ± 0.004°
• γ: 72.852 ± 0.004°
• Cell volume: 1500.75 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0323
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections included in the refinement: 0.0429
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No