Information card for entry 4074908

Structure parameters

• Formula: C47 H93 Cl2 Li N4 Si6 Ti
• Calculated formula: C47 H93 Cl2 Li N4 Si6 Ti
• SMILES: [Ti]12(=Nc3c(cc(cc3C([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)([Cl][Li]3([Cl]1)[N](CC[N]3(C)C)(C)C)[N](=C(C=C2C)C)c1c(cc(cc1C)C)C
• 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: 12.724 ± 0.005 Å
• b: 12.781 ± 0.006 Å
• c: 19.884 ± 0.008 Å
• α: 85.729 ± 0.015°
• β: 72.206 ± 0.012°
• γ: 87.54 ± 0.015°
• Cell volume: 3070 ± 2 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: 0.1091
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No