Information card for entry 2203164

Structure parameters

• Chemical name: Di-μ-ethoxy-bis[diethoxy(8-quinolinato)titanium(IV)]
• Formula: C30 H42 N2 O8 Ti2
• Calculated formula: C30 H42 N2 O8 Ti2
• SMILES: C(C)[O]1[Ti]2([n]3cccc4cccc(O2)c34)(OCC)(OCC)[O](CC)[Ti]21([n]1cccc3cccc(O2)c13)(OCC)OCC
• Title of publication: Di-μ-ethoxy-bis[diethoxy(8-quinolinato)titanium(IV)]
• Authors of publication: Amini, Mostafa M.; Mirzaee, Mehdi; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: m145 - m146
• a: 8.7135 ± 0.0006 Å
• b: 13.5629 ± 0.0009 Å
• c: 13.93 ± 0.001 Å
• α: 90°
• β: 91.986 ± 0.001°
• γ: 90°
• Cell volume: 1645.3 ± 0.2 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 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: 0.041
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes