Information card for entry 4318967

Structure parameters

• Common name: Ti(dpma)2
• Formula: C22 H26 Cl0 N6 Ti
• Calculated formula: C22 H26 N6 Ti
• SMILES: [Ti]1234(n5cccc5C[N]2(Cc2n1ccc2)C)n1cccc1C[N]4(Cc1n3ccc1)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: 10.47 ± 0.002 Å
• b: 17.479 ± 0.004 Å
• c: 11.766 ± 0.002 Å
• α: 90°
• β: 102.13 ± 0.03°
• γ: 90°
• Cell volume: 2105.2 ± 0.8 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: 0.0814
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No