Information card for entry 1570643

Structure parameters

• Formula: C134 H100 O58 Ti16
• Calculated formula: C134 H100 O58 Ti16
• Title of publication: All-catecholate-stabilized black titanium-oxo clusters for efficient photothermal conversion.
• Authors of publication: Hou, Jinle; Huang, Nahui; Acharya, Dinesh; Liu, Yuxin; Zhu, Jiaying; Teng, Jiaxin; Wang, Zhi; Qu, Konggang; Zhang, Xianxi; Sun, Di
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 2655 - 2664
• a: 15.114 ± 0.004 Å
• b: 16.444 ± 0.005 Å
• c: 17.284 ± 0.005 Å
• α: 63.041 ± 0.009°
• β: 64.513 ± 0.013°
• γ: 71.596 ± 0.009°
• Cell volume: 3417.2 ± 1.7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1185
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1865
• Weighted residual factors for all reflections included in the refinement: 0.2212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No