Information card for entry 7248285

Structure parameters

• Formula: C80 H167 N4 O36 S Ti10
• Calculated formula: C80 H167 N4 O36 S Ti10
• Title of publication: Accurate assembly of thiophene-bridged titanium-oxo clusters with photocatalytic amine oxidation activity
• Authors of publication: Nai, Haoran; Hou, Jinle; Li, Jinyu; Ma, Xiaoxi; Yang, Yujia; Qu, Konggang; Huang, Xianqiang; Li, Lianzhi
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 7924 - 7931
• a: 16.598 ± 0.0005 Å
• b: 18.4583 ± 0.0006 Å
• c: 20.9945 ± 0.0007 Å
• α: 74.614 ± 0.003°
• β: 75.671 ± 0.003°
• γ: 74.331 ± 0.003°
• Cell volume: 5863 ± 0.3 ų
• Cell temperature: 213 ± 0.1 K
• Ambient diffraction temperature: 213 ± 0.1 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: 0.0796
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No