Information card for entry 4319646

Structure parameters

• Chemical name: compound 2
• Formula: C21 H29 Cl N2 Si Zr
• Calculated formula: C21 H29 Cl N2 Si Zr
• SMILES: [Zr]123456789(Cl)(N/[N]1=C\[Si](C)(C)C)([cH]1[cH]9[cH]4[cH]3[cH]21)[cH]1[cH]8[cH]7[cH]6[cH]51.c1(ccccc1)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: 13.053 ± 0.0013 Å
• b: 17.627 ± 0.003 Å
• c: 10.477 ± 0.002 Å
• α: 90°
• β: 109.425 ± 0.012°
• γ: 90°
• Cell volume: 2273.4 ± 0.6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for all reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.0772
• Goodness-of-fit parameter for all reflections: 1.052
• Goodness-of-fit parameter for significantly intense reflections: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No