Information card for entry 7007227

Structure parameters

• Formula: C26 H50 N2 O8 Ti
• Calculated formula: C26 H50 N2 O8 Ti
• SMILES: [Ti]12([O]=C(OC(C)(C)C)C=C(O1)OC(C)(C)C)(OC(=CC(=[O]2)OC(C)(C)C)OC(C)(C)C)(N(C)C)N(C)C
• Title of publication: Precursor chemistry for TiO2: titanium complexes with a mixed nitrogen/oxygen ligand sphere.
• Authors of publication: Baunemann, Arne; Hellwig, Malte; Varade, Ashish; Bhakta, Raghunandan K.; Winter, Manuela; Shivashankar, S. A.; Fischer, Roland A.; Devi, Anjana
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 28
• Pages of publication: 3485 - 3490
• a: 11.7058 ± 0.0009 Å
• b: 11.9666 ± 0.0009 Å
• c: 23.9999 ± 0.0018 Å
• α: 99.452 ± 0.006°
• β: 98.297 ± 0.006°
• γ: 93.037 ± 0.006°
• Cell volume: 3271.4 ± 0.4 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 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: 0.0817
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No