Information card for entry 4310351

Structure parameters

• Common name: Ti(2-iminoimidazolinide)(tpa)
• Formula: C20 H25 N7 Ti
• Calculated formula: C20 H25 N7 Ti
• SMILES: [Ti]123(n4cccc4C[N]3(Cc3n1ccc3)Cc1n2ccc1)N=C1N(C)CCN1C
• Title of publication: Synthesis and Group 4 Complexes of Tris(pyrrolyl-α-methyl)amine
• Authors of publication: Yanhui Shi; Changsheng Cao; Aaron L. Odom
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 275 - 281
• a: 10.728 ± 0.003 Å
• b: 10.672 ± 0.003 Å
• c: 17.655 ± 0.004 Å
• α: 90°
• β: 95.078 ± 0.004°
• γ: 90°
• Cell volume: 2013.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0661
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No