Information card for entry 2014728

Structure parameters

• Common name: Ti(DMP)(NMe2)2Cl
• Chemical name: chlorobis(dimethylamido)(η^5^-2,5-dimethylpyrrolyl)titanium(IV)
• Formula: C10 H20 Cl N3 Ti
• Calculated formula: C10 H20 Cl N3 Ti
• SMILES: [Ti](Cl)(n1c(ccc1C)C)(N(C)C)N(C)C
• Title of publication: Chlorobis(dimethylamido)(η^5^-2,5-dimethylpyrrolyl)titanium(IV), [Ti(NMe~2~)~2~(DMP)Cl]
• Authors of publication: Duarte, M. Teresa; Ferreira, A.; Dias, A. R.; Salema, M. M.; Ferreira da Silva, João
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m104 - m106
• a: 8.421 ± 0.002 Å
• b: 11.915 ± 0.002 Å
• c: 13.932 ± 0.002 Å
• α: 90°
• β: 104.04 ± 0.02°
• γ: 90°
• Cell volume: 1356.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes