Information card for entry 1570645

Structure parameters

• Formula: C72 H79 O29 Ti8
• Calculated formula: C72 H79 O29 Ti8
• 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: 13.7327 ± 0.0007 Å
• b: 14.2235 ± 0.0007 Å
• c: 23.4194 ± 0.0012 Å
• α: 87.685 ± 0.002°
• β: 89.986 ± 0.002°
• γ: 66.441 ± 0.002°
• Cell volume: 4189.1 ± 0.4 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0502
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No