Information card for entry 7204071

Structure parameters

• Formula: C20 H48 N4 O8 Ti2
• Calculated formula: C20 H48 N4 O8 Ti2
• SMILES: C1C[N](C)(C)[Ti]23(O1)(OCCN(C)C)OCC[O]2[Ti]12([N](CCO1)(C)C)(OCCN(C)C)OCC[O]32
• Title of publication: Synthesis and crystal structures of two new titanium alkoxy‒diolate complexes. Potential precursors for oxide ceramics
• Authors of publication: Jones, Anthony C.; Williams, Paul A.; Bickley, Jamie F.; Steiner, Alexander; Davies, Hywel O.; Leedham, Timothy J.; Awaluddin, Amir; Pemble, Martyn E.; Critchlow, Gary W.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2001
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 1428
• a: 8.2993 ± 0.0017 Å
• b: 9.3651 ± 0.0019 Å
• c: 9.707 ± 0.0019 Å
• α: 104.7 ± 0.02°
• β: 104.99 ± 0.02°
• γ: 96.58 ± 0.02°
• Cell volume: 691.7 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No