Information card for entry 7043144

Structure parameters

• Formula: C84 H96 Fe6 O24 Ti6
• Calculated formula: C84 H96 Fe6 O24 Ti6
• Title of publication: Ferrocenecarboxylate-functionalized titanium-oxo-cluster: ferrocene wheel as sensitizer for photocurrent response
• Authors of publication: Fan, Yang; Cui, Ying; Zou, Guo-dong; Duan, Rui-Huan Huan; Zhang, Xu; Dong, Yu-Xiang; Lv, Haiting; Cao, Juntao; Jing, Qiang-Shan
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 16.8249 ± 0.0007 Å
• b: 13.8268 ± 0.0004 Å
• c: 19.426 ± 0.0007 Å
• α: 90°
• β: 90.638 ± 0.004°
• γ: 90°
• Cell volume: 4518.9 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0875
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No