Information card for entry 2224228

Structure parameters

• Chemical name: Di-μ-ethanolato-bis[diethanolato(2-methylquinolin-8-olato)titanium(IV)]
• Formula: C32 H46 N2 O8 Ti2
• Calculated formula: C32 H46 N2 O8 Ti2
• SMILES: Cc1ccc2c3[n]1[Ti]1(Oc3ccc2)(OCC)(OCC)[O](CC)[Ti]2([n]3c(C)ccc4cccc(O2)c34)(OCC)(OCC)[O]1CC
• Title of publication: Di-μ-ethanolato-bis[diethanolato(2-methylquinolin-8-olato)titanium(IV)]
• Authors of publication: Fazaeli, Yousef; Najafi, Ezzatollah; Amini, Mostafa M.; Khavasi, Hamid Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1531
• a: 9.0497 ± 0.0018 Å
• b: 13.086 ± 0.003 Å
• c: 14.189 ± 0.003 Å
• α: 90°
• β: 95.21 ± 0.03°
• γ: 90°
• Cell volume: 1673.4 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1155
• Residual factor for significantly intense reflections: 0.0966
• Weighted residual factors for significantly intense reflections: 0.1822
• Weighted residual factors for all reflections included in the refinement: 0.1967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes