Information card for entry 7009680

Structure parameters

• Formula: C24 H32 N2 O Ti
• Calculated formula: C24 H32 N2 O Ti
• SMILES: [Ti]12345(OC(C)(c6[n]1cccc6)c1ncccc1)(C)(C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Synthesis and characterization of 2-pyridylalkoxide complexes of titanium, zirconium and tantalum. Crystal structures of TiCp*Me2(OCMePy2) and TaCp*Cl3(OCPy3) (Cp* = η5-C5Me5, Py = C5H4N)
• Authors of publication: Fandos, Rosa; Hernández, Carolina; Otero, Antonio; Rodríguez, Ana; Ruiz, Maria José; Terreros, Pilar
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 17
• Pages of publication: 2990
• a: 11.597 ± 0.003 Å
• b: 15.216 ± 0.001 Å
• c: 12.777 ± 0.009 Å
• α: 90°
• β: 101.82 ± 0.04°
• γ: 90°
• Cell volume: 2206.8 ± 1.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1542
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No