Information card for entry 7006524

Structure parameters

• Formula: C14 H21 Cl2 N3 Ti
• Calculated formula: C14 H21 Cl2 N3 Ti
• SMILES: [Ti]1234(Cl)(Cl)(N=C5N(C=CN5C(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: 17.8609 ± 0.0002 Å
• b: 8.3732 ± 0.0001 Å
• c: 23.1179 ± 0.0002 Å
• α: 90°
• β: 97.3494 ± 0.0003°
• γ: 90°
• Cell volume: 3428.94 ± 0.06 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0791
• 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