Information card for entry 4074347

Structure parameters

• Formula: C20 H28 N P
• Calculated formula: C20 H28 N P
• SMILES: P(=N)(c1c(cccc1)c1ccccc1)(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: 7.5461 ± 0.0008 Å
• b: 18.4617 ± 0.0019 Å
• c: 13.6904 ± 0.0014 Å
• α: 90°
• β: 100.049 ± 0.001°
• γ: 90°
• Cell volume: 1878 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No