Information card for entry 4074911

Structure parameters

• Formula: C45 H85 Cl Hf N2 O Si6
• Calculated formula: C45 H85 Cl Hf N2 O Si6
• SMILES: [Hf]1(Cl)([N](=C(C=C1C)C)c1c(cc(cc1C)C)C)(=Nc1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)[O]1CCCC1
• Title of publication: Reduction of Tetravalent Group 4 Metal Complexes Supported by an Extremely Bulky, Unsymmetrically Substituted β-Diketiminato Ligand Leading to the Regioselective CN Bond Cleavage Giving Ring-Contracted Metal-Imido Complexes
• Authors of publication: Hamaki, Hirofumi; Takeda, Nobuhiro; Tokitoh, Norihiro
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 2457
• a: 9.5578 ± 0.0018 Å
• b: 12.345 ± 0.002 Å
• c: 25.424 ± 0.006 Å
• α: 87.842 ± 0.01°
• β: 82.127 ± 0.012°
• γ: 71.02 ± 0.02°
• Cell volume: 2809.9 ± 1 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1357
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No