Information card for entry 4102172

Structure parameters

• Formula: C22 H38 Hf Si4
• Calculated formula: C22 H38 Hf Si4
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Hf]167892345([cH]2[cH]1[cH]6[cH]7[cH]82)C(=C([SiH](C)C)[Si](/C9=C\[SiH](C)C)(C)C)[SiH](C)C
• Title of publication: Si-H Bond Activation of Alkynylsilanes by Group 4 Metallocene Complexes
• Authors of publication: Martin Lamač; Anke Spannenberg; Wolfgang Baumann; Haijun Jiao; Christine Fischer; Sven Hansen; Perdita Arndt; Uwe Rosenthal
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 4369 - 4380
• a: 32.0481 ± 0.001 Å
• b: 9.1762 ± 0.0002 Å
• c: 20.1421 ± 0.0007 Å
• α: 90°
• β: 113.035 ± 0.002°
• γ: 90°
• Cell volume: 5451.1 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.0433
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No