Information card for entry 7118422

Structure parameters

• Formula: C18 H22 N2 O8 Ti
• Calculated formula: C18 H22 N2 O8 Ti
• Title of publication: Molecular titanium-hydroxamate complexes as models for TiO2 surface binding.
• Authors of publication: Brennan, Bradley J.; Chen, Jeffrey; Rudshteyn, Benjamin; Chaudhuri, Subhajyoti; Mercado, Brandon Q.; Batista, Victor S.; Crabtree, Robert H.; Brudvig, Gary W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 14
• Pages of publication: 2972 - 2975
• a: 10.9669 ± 0.0003 Å
• b: 14.7049 ± 0.0004 Å
• c: 13.0353 ± 0.0009 Å
• α: 90°
• β: 113.016 ± 0.008°
• γ: 90°
• Cell volume: 1934.82 ± 0.19 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No