Information card for entry 7118423

Structure parameters

• Formula: C54 H72 N6 O21 S6 Ti3
• Calculated formula: C54 H72 N6 O21 S6 Ti3
• 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: 15.7049 ± 0.0009 Å
• b: 15.7049 ± 0.0009 Å
• c: 53.457 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11418.4 ± 1.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1801
• Weighted residual factors for all reflections included in the refinement: 0.1986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No