Information card for entry 7010447

Structure parameters

• Formula: C50 H55 Cl6 N3 P2 Ti2
• Calculated formula: C50 H55 Cl6 N3 P2 Ti2
• SMILES: [Ti]1234(Cl)(Cl)([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)N=P(c1ccccc1)(c1ccccc1)c1nc(ccc1)P(=N[Ti]1234(Cl)(Cl)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C)(c1ccccc1)c1ccccc1.C(Cl)Cl
• 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: 12.0929 ± 0.0002 Å
• b: 13.4161 ± 0.0004 Å
• c: 16.3861 ± 0.0004 Å
• α: 84.499 ± 0.0014°
• β: 80.911 ± 0.0017°
• γ: 81.787 ± 0.0016°
• Cell volume: 2590.85 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No