Information card for entry 7006525

Structure parameters

• Formula: C16 H25 Cl2 N3 Ti
• Calculated formula: C16 H25 Cl2 N3 Ti
• SMILES: [Ti]1234(Cl)(Cl)(N=C5N(C(=C(N5C(C)C)C)C)C(C)C)[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: Imidazolin-2-iminato titanium complexes: synthesis, structure and use in ethylene polymerization catalysis.
• Authors of publication: Tamm, Matthias; Randoll, Sören; Herdtweck, Eberhardt; Kleigrewe, Nina; Kehr, Gerald; Erker, Gerhard; Rieger, Bernhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 3
• Pages of publication: 459 - 467
• a: 18.0659 ± 0.0002 Å
• b: 11.273 ± 0.0001 Å
• c: 18.2918 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3725.25 ± 0.07 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• 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: 0.0412
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No