Information card for entry 7007228

Structure parameters

• Formula: C30 H58 N2 O8 Ti
• Calculated formula: C30 H58 N2 O8 Ti
• 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: 13.217 ± 0.002 Å
• b: 16.078 ± 0.002 Å
• c: 17.156 ± 0.004 Å
• α: 83.955 ± 0.015°
• β: 86.138 ± 0.015°
• γ: 85.097 ± 0.012°
• Cell volume: 3605.9 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0851
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No