Information card for entry 7045285

Structure parameters

• Formula: C20 H36 N2 O9 Ti2
• Calculated formula: C20 H36 N2 O9 Ti2
• SMILES: C1(=CC(C)=[O][Ti]23([N](C)(CCO2)CCO3)(O1)O[Ti]123([N](CCO2)(CCO3)C)OC(=CC(C)=[O]1)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: 12.145 ± 0.002 Å
• b: 12.728 ± 0.003 Å
• c: 8.027 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1240.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No