Information card for entry 4319269

Structure parameters

• Formula: C43 H44 B F15 N Si Ti
• Calculated formula: C37 H30 B F15 N Si Ti
• SMILES: [Ti]1234567(N(C(C)(C)C)[Si]([c]58[c]6([c]7([c]4([c]18C)C)C)C)(C)C)C[CH]2=[CH]3C[B](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
• 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: 10.451 ± 0.0003 Å
• b: 12.995 ± 0.0003 Å
• c: 16.921 ± 0.0005 Å
• α: 80.372 ± 0.0015°
• β: 86.946 ± 0.002°
• γ: 75.287 ± 0.002°
• Cell volume: 2191.25 ± 0.11 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections: 0.1861
• Weighted residual factors for significantly intense reflections: 0.1788
• Goodness-of-fit parameter for all reflections: 1.163
• Goodness-of-fit parameter for significantly intense reflections: 1.24
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No