Information card for entry 7240906

Structure parameters

• Formula: C71 H76 O15 Ti4
• Calculated formula: C71 H75.9999 O15 Ti4
• Title of publication: Calix[8]arene-constructed stable polyoxo-titanium clusters for efficient CO2 photoreduction
• Authors of publication: Li, Ning; Liu, Jing-Jing; Sun, Jia-Wei; Dong, Bao-Xia; Dong, Long-Zhang; Yao, Su-Juan; Xin, Zhifeng; Li, Shun-Li; Lan, Ya-Qian
• Journal of publication: Green Chemistry
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 16
• Pages of publication: 5325 - 5332
• a: 18.731 ± 0.008 Å
• b: 16.579 ± 0.007 Å
• c: 21.872 ± 0.01 Å
• α: 90°
• β: 100.786 ± 0.006°
• γ: 90°
• Cell volume: 6672 ± 5 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1416
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No