Information card for entry 4319560

Structure parameters

• Chemical name: [di(pyrrolyl-alpha-methyl)methylamine]Bis(dimethylamido)titanium(IV)
• Formula: C15 H25 N5 Ti
• Calculated formula: C15 H25 N5 Ti
• SMILES: [Ti]12(n3cccc3C[N]2(Cc2n1ccc2)C)(N(C)C)N(C)C
• Title of publication: Titanium η1-Pyrrolyl Complexes: Electronic and Structural Characteristics Imposed by the N,N-Di(pyrrolyl-α-methyl)-N-methylamine (dpma) Ligand
• Authors of publication: Shannon A. Harris; James T. Ciszewski; Aaron L. Odom
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1987 - 1988
• a: 9.832 ± 0.002 Å
• b: 11.565 ± 0.002 Å
• c: 15.177 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1725.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.092
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No