Information card for entry 4318972

Structure parameters

• Common name: TiCl2(dpma)(THF)
• Formula: C15 H21 Cl2 N3 O Ti
• Calculated formula: C15 H21 Cl2 N3 O Ti
• SMILES: [Ti]12(Cl)(Cl)([O]3CCCC3)n3cccc3C[N]2(Cc2n1ccc2)C
• Title of publication: Group-4 η1-Pyrrolyl Complexes Incorporating N,N-Di(pyrrolyl-α-methyl)-N-methylamine
• Authors of publication: Yahong Li; Angie Turnas; James T. Ciszewski; Aaron L. Odom
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6298 - 6306
• a: 9.032 ± 0.003 Å
• b: 16.671 ± 0.004 Å
• c: 11.624 ± 0.004 Å
• α: 90°
• β: 98.65 ± 0.04°
• γ: 90°
• Cell volume: 1730.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0382
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No