Information card for entry 7010898

Structure parameters

• Formula: C32 H36 N P
• Calculated formula: C32 H36 N P
• SMILES: P(=Nc1c(cc(cc1C)C)C)(c1ccccc1)(c1ccccc1)Cc1ccc(cc1)C(C)(C)C
• Title of publication: Titanium and zirconium complexes with sterically hindered aryl-substituted iminophosphoranato ligands
• Authors of publication: Said, Musa; Thornton-Pett, Mark; Bochmann, Manfred
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 19
• Pages of publication: 2844
• a: 20.535 ± 0.0003 Å
• b: 10.3459 ± 0.0002 Å
• c: 24.7566 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5259.62 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0528
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No