Information card for entry 4071669

Structure parameters

• Formula: C32 H44 Hf O2 Si
• Calculated formula: C32 H44 Hf O2 Si
• SMILES: C1(=C(C(=O)O[Hf]234567891([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C)[Si](C)(C)C)c1ccccc1
• Title of publication: Synthesis and Reactions of Cp*2Hf(η2-PhC2SiMe3) with Water and Carbon Dioxide†
• Authors of publication: Beweries, Torsten; Burlakov, Vladimir V.; Peitz, Stephan; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Rosenthal, Uwe
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 15
• Pages of publication: 3954
• a: 10.2069 ± 0.0005 Å
• b: 17.1456 ± 0.0004 Å
• c: 17.6053 ± 0.0006 Å
• α: 90°
• β: 105.079 ± 0.003°
• γ: 90°
• Cell volume: 2974.9 ± 0.2 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: 0.0259
• Residual factor for significantly intense reflections: 0.0175
• Weighted residual factors for significantly intense reflections: 0.0375
• Weighted residual factors for all reflections included in the refinement: 0.0387
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No