Information card for entry 4307603

Structure parameters

• Formula: C98 H178 Cl2 N6 Si12 Ti2
• Calculated formula: C98 H178 Cl2 N6 Si12 Ti2
• SMILES: [Ti]1(Cl)(=Nc2c(cc(cc2C([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)([N](=C(C=C1C)C)c1c(cc(cc1C)C)C)[n]1ccccc1.CCCCCC
• Title of publication: Nucleophilic Attack toward Group 4 Metal Complexes Bearing Reactive 1-Aza-1,3-butadienyl and Imido Moieties
• Authors of publication: Hirofumi Hamaki; Nobuhiro Takeda; Norihiro Tokitoh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1795 - 1802
• a: 12.368 ± 0.005 Å
• b: 18.983 ± 0.008 Å
• c: 27.134 ± 0.01 Å
• α: 106.011 ± 0.004°
• β: 90.942 ± 0.002°
• γ: 108.792 ± 0.005°
• Cell volume: 5758 ± 4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.119
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.1951
• Weighted residual factors for all reflections included in the refinement: 0.2168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No