Information card for entry 7006528

Structure parameters

• Formula: C24 H46 N6 Ti
• Calculated formula: C24 H46 N6 Ti
• SMILES: [Ti](N=C1N(C=CN1C(C)(C)C)C(C)(C)C)(N=C1N(C=CN1C(C)(C)C)C(C)(C)C)(C)C
• 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: 18.4995 ± 0.0001 Å
• b: 16.2737 ± 0.0001 Å
• c: 18.6379 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5611.04 ± 0.05 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 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: 0.0432
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No