Information card for entry 7010448

Structure parameters

• Formula: C40 H48 Cl2 N P Ti
• Calculated formula: C40 H48 Cl2 N P Ti
• SMILES: [Ti]1234(Cl)(Cl)([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)N=P(c1ccccc1)(c1ccccc1)Cc1ccc(cc1)C(C)(C)C.c1(ccccc1)C
• Title of publication: The reactivity of trimethylsilyliminophosphines towards titanium and zirconium halides
• Authors of publication: Sarsfield, Mark J.; Said, Musa; Thornton-Pett, Mark; Gerrard, Lee A.; Bochmann, Manfred
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 6
• Pages of publication: 822
• a: 19.5778 ± 0.0005 Å
• b: 10.3318 ± 0.0003 Å
• c: 19.8983 ± 0.0004 Å
• α: 90°
• β: 112.136 ± 0.002°
• γ: 90°
• Cell volume: 3728.24 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0498
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No