Information card for entry 4319645

Structure parameters

• Chemical name: copmpound 1
• Formula: C18 H32 Cl2 N2 Si2 Ti2
• Calculated formula: C18 H32 Cl2 N2 Si2 Ti2
• SMILES: [c]12([cH]3[Ti]45672([cH]1[cH]5[cH]34)(N([Si](C)(C)C)[Ti]12347([c]5([cH]1[cH]2[cH]3[cH]45)C)(N6[Si](C)(C)C)Cl)Cl)C
• Title of publication: Synthesis of the Titanium Compound [(MeC5H4)TiCl(μ-NSiMe3)]2 with Migration of a SiMe3 Group and Preparation of Cp2ZrCl(η2-NHNCHSiMe3}
• Authors of publication: Guangcai Bai; Herbert W. Roesky; Haijun Hao; Mathias Noltemeyer; Hans-Georg Schmidt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2424 - 2426
• a: 13.4571 ± 0.0015 Å
• b: 13.4571 ± 0.0015 Å
• c: 13.724 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2485.3 ± 0.5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for all reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.0779
• Goodness-of-fit parameter for all reflections: 1.123
• Goodness-of-fit parameter for significantly intense reflections: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No