Information card for entry 7045286

Structure parameters

• Formula: C19 H37 N O5 Ti
• Calculated formula: C19 H37 N O5 Ti
• SMILES: [Ti]123(OC(=CC(=[O]1)C(C)(C)C)C(C)(C)C)(OCC[N]3(CCO2)C)OC(C)C
• Title of publication: Synthesis and characterization of heteroleptic titanium MOCVD precursors for TiO₂ thin films.
• Authors of publication: Kim, Euk Hyun; Lim, Min Hyuk; Lah, Myoung Soo; Koo, Sang Man
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 7
• Pages of publication: 2415 - 2421
• a: 14.894 ± 0.003 Å
• b: 9.112 ± 0.0018 Å
• c: 25.58 ± 0.005 Å
• α: 90°
• β: 106.59 ± 0.03°
• γ: 90°
• Cell volume: 3327.1 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1574
• Residual factor for significantly intense reflections: 0.1027
• Weighted residual factors for significantly intense reflections: 0.2858
• Weighted residual factors for all reflections included in the refinement: 0.3216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No