Information card for entry 7010204

Structure parameters

• Formula: C11 H13 Cl2 N Ti
• Calculated formula: C11 H13 Cl2 N Ti
• SMILES: [Ti]1234(Cl)(Cl)(N(C)C)[c]56[c]4([cH]3[cH]2[cH]15)cccc6
• Title of publication: Titanium indenyldimethylamido complexes: synthesis, characterisation and theoretical calculations. Crystal structure of [Ti(η5-Ind)(NMe2)Cl2]
• Authors of publication: Martins, Ana M.; Ascenso, José R.; de Azevedo, Cristina G.; Calhorda, Maria J.; Dias, Alberto R.; Rodrigues, Sandra S.; Toupet, Loîc; de Leonardis, Piero; Veiros, Luis F.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 23
• Pages of publication: 4332
• a: 7.514 ± 0.006 Å
• b: 11.991 ± 0.004 Å
• c: 13.584 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1223.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1032
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No