Information card for entry 4319561

Structure parameters

• Chemical name: [di(pyrrolyl-alpha-methyl)methylamine](dimethylamido)iodotitanium(IV)
• Formula: C13 H19 I N4 Ti
• Calculated formula: C13 H19 I N4 Ti
• SMILES: [Ti]12(I)(n3cccc3C[N]2(Cc2n1ccc2)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: 8.4577 ± 0.0002 Å
• b: 15.8566 ± 0.0004 Å
• c: 12.2944 ± 0.0001 Å
• α: 90°
• β: 105.83 ± 0.001°
• γ: 90°
• Cell volume: 1586.28 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No