Information card for entry 4074349

Structure parameters

• Formula: C23 H36 N P Ti
• Calculated formula: C23 H36 N P Ti
• SMILES: [Ti](N=P(c1c(cccc1)c1ccccc1)(C(C)(C)C)C(C)(C)C)(C)(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: 10.1625 ± 0.0018 Å
• b: 23.486 ± 0.004 Å
• c: 11.204 ± 0.002 Å
• α: 90°
• β: 115.851 ± 0.002°
• γ: 90°
• Cell volume: 2406.5 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.064
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1926
• Goodness-of-fit parameter for all reflections included in the refinement: 0.743
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No