Information card for entry 7204072

Structure parameters

• Formula: C28 H64 N4 O8 Ti2
• Calculated formula: C28 H64 N4 O8 Ti2
• SMILES: C1(C)(C)C(C)(C)O[Ti]23([N](CC[O]2[Ti]24([N](CC[O]34)(C)C)(OC(C)(C)C(C)(C)O2)OCCN(C)C)(C)C)(O1)OCCN(C)C
• 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: 9.3358 ± 0.0014 Å
• b: 10.0168 ± 0.0016 Å
• c: 11.4403 ± 0.0018 Å
• α: 110.358 ± 0.017°
• β: 107.365 ± 0.018°
• γ: 99.353 ± 0.018°
• Cell volume: 913.9 ± 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: 0.0377
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No