Information card for entry 7127902

Structure parameters

• Formula: C166 H273.12 Fe4 N12 O80 Ti22
• Calculated formula: C166 H273.11 Fe4 N12 O80 Ti22
• Title of publication: Accurate assembly of ferrocene-functionalized {Ti22Fc4} clusters with photocatalytic amine oxidation activity.
• Authors of publication: Han, Er-Meng; Yu, Wei-Dong; Li, Lei-Jiao; Yi, Xiao-Yi; Yan, Jun; Liu, Chao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 22
• Pages of publication: 2792 - 2795
• a: 22.0941 ± 0.0006 Å
• b: 22.6404 ± 0.0007 Å
• c: 25.2924 ± 0.0008 Å
• α: 114.715 ± 0.001°
• β: 95.411 ± 0.001°
• γ: 91.836 ± 0.001°
• Cell volume: 11405.8 ± 0.6 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1631
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.2366
• Weighted residual factors for all reflections included in the refinement: 0.2683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No