Information card for entry 4319268

Structure parameters

• Formula: C38 H35 Al F15 N Si Ti
• Calculated formula: C38 H35 Al F15 N Si Ti
• SMILES: [Ti]12345678(N(C(C)(C)C)[Si]([c]93[c]5([c]8([c]1([c]79C)C)C)C)(C)C)[CH2]([Al](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)=[CH]2[C]4(=[CH2]6)C
• Title of publication: Group 4 Zwitterionic Metallocenes Based upon the Bridged Amido-Cyclopentadienyl Ligand and Coordinated Dienes
• Authors of publication: Gregory S. Hair; Richard A. Jones; Alan H. Cowley; Vincent Lynch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1014 - 1019
• a: 12.09 ± 0.002 Å
• b: 17.785 ± 0.003 Å
• c: 36.379 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7822 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1252
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections: 0.1818
• Weighted residual factors for significantly intense reflections: 0.1511
• Goodness-of-fit parameter for all reflections: 1.117
• Goodness-of-fit parameter for significantly intense reflections: 1.234
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No