Information card for entry 7009389

Structure parameters

• Formula: C27 H35 N Si Zr
• Calculated formula: C27 H35 N Si Zr
• SMILES: [Zr]12345678(N([C@H](C)c9cccc%10ccccc9%10)[Si]([c]95[c]6([c]7([c]8([c]91C)C)C)C)(C)C)[CH2]=[CH]2[CH]3=[CH2]4
• Title of publication: Structural characterization of M(s-cis-η4-C4H6)(Me4C5SiMe2NR) (M = Ti or Zr, R = CMe3 or CHCMe(1-C10H7))
• Authors of publication: Dahlmann, Marc; Schottek, Jörg; Fröhlich, Roland; Kunz, Doris; Nissinen, Maija; Erker, Gerhard; Fink, Gerhard; Kleinschmidt, Ralph
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 12
• Pages of publication: 1881
• a: 8.567 ± 0.001 Å
• b: 16.693 ± 0.001 Å
• c: 17.164 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2454.6 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No