Information card for entry 7102562

Structure parameters

• Formula: C16 H25 Cl2 N3 Ti
• Calculated formula: C16 H25 Cl2 N3 Ti
• SMILES: CC(C)(C)N1C(=N[Ti]2345([cH]6[cH]2[cH]3[cH]5[cH]46)(Cl)Cl)N(C=C1)C(C)(C)C
• Title of publication: Titanium complexes with imidazolin-2-iminato ligands.
• Authors of publication: Tamm, Matthias; Randoll, Sören; Bannenberg, Thomas; Herdtweck, Eberhardt
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 7
• Pages of publication: 876 - 877
• a: 12.878 ± 0.0002 Å
• b: 17.5935 ± 0.0002 Å
• c: 8.5676 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1941.15 ± 0.04 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No