Information card for entry 1570642

Structure parameters

• Formula: C20 H26 O12 Ti2
• Calculated formula: C20 H26 O12 Ti2
• 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: 9.0139 ± 0.0015 Å
• b: 14.186 ± 0.002 Å
• c: 8.9545 ± 0.0014 Å
• α: 90°
• β: 90.487 ± 0.007°
• γ: 90°
• Cell volume: 1145 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No