Information card for entry 4074350

Structure parameters

• Formula: C26 H45 N4 P Ti
• Calculated formula: C26 H45 N4 P Ti
• SMILES: [Ti](N=P(c1c(cccc1)c1ccccc1)(C(C)(C)C)C(C)(C)C)(N(C)C)(N(C)C)N(C)C
• Title of publication: Di-tert-butylbiphenylphosphinimide Titanium and Zirconium Complexes: Pendant Arene−Metal Interactions
• Authors of publication: Ghesner, Ioan; Fenwick, Andrew; Stephan, Douglas W.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 21
• Pages of publication: 4985
• a: 36.987 ± 0.007 Å
• b: 8.9097 ± 0.0017 Å
• c: 20.268 ± 0.004 Å
• α: 90°
• β: 120.594 ± 0.002°
• γ: 90°
• Cell volume: 5749.4 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.1868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No