Information card for entry 7718660

Structure parameters

• Chemical name: Ti3Co cluster
• Formula: C42 H62 Co N3 O16 P3 Ti3
• Calculated formula: C43 H62 Co N2 O16 P3 Ti3
• Title of publication: Precisely tailoring Lewis pairs in polyoxotitanium clusters for efficient photocatalytic production of hydrogen peroxide.
• Authors of publication: Gao, Mengke; Zhang, Shiming; Yan, Yayu; Qian, Zehao; Qin, Liyang; Liu, Xiaoyu; Ding, Qing-Rong; Li, Qiaohong; Wu, Xin; Zhang, Jian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 9016 - 9020
• a: 23.503 ± 0.0004 Å
• b: 19.9604 ± 0.0003 Å
• c: 12.5665 ± 0.0002 Å
• α: 90°
• β: 99.004 ± 0.002°
• γ: 90°
• Cell volume: 5822.67 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0659
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1662
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No