Information card for entry 4069134

Structure parameters

• Formula: C34 H54 Hf O Si4
• Calculated formula: C34 H54 Hf O Si4
• SMILES: [Hf]123456789([O]%10CCCC%10)([cH]%10[cH]1[cH]2[cH]3[c]14c([Si](C)(C)C)cc([Si](C)(C)C)[c]5%101)[c]1([Si](C)(C)C)[cH]6[c]7([Si](C)(C)C)[c]29[c]81cccc2
• Title of publication: Bis(indenyl)hafnium Chemistry: Ligand-Induced Haptotropic Rearrangement and Fundamental Reactivity Studies at a Reduced Hafnium Center
• Authors of publication: Pun, Doris; Leopold, Scott M.; Bradley, Christopher A.; Lobkovsky, Emil; Chirik, Paul J.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 8
• Pages of publication: 2471
• a: 11.703 ± 0.003 Å
• b: 16.879 ± 0.004 Å
• c: 21.359 ± 0.006 Å
• α: 79.832 ± 0.006°
• β: 74.235 ± 0.006°
• γ: 78.493 ± 0.006°
• Cell volume: 3945.2 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No