Information card for entry 1568681

Structure parameters

• Formula: C326 H425 Br3 Cu24 N10 O90
• Calculated formula: C322 H284 Br3 Cu24 N10 O90
• Title of publication: A copper-seamed coordination nanocapsule as a semiconductor photocatalyst for molecular oxygen activation.
• Authors of publication: Hu, Xiangquan; Han, Meirong; Wang, Leicheng; Shao, Li; Peeyush, Yadav; Du, Jialei; Kelley, Steven P.; Dalgarno, Scott J.; Atwood, David A.; Feng, Sisi; Atwood, Jerry L.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 4532 - 4537
• a: 22.579 ± 0.008 Å
• b: 22.754 ± 0.008 Å
• c: 24.113 ± 0.008 Å
• α: 108.799 ± 0.005°
• β: 106.39 ± 0.005°
• γ: 104.441 ± 0.005°
• Cell volume: 10431 ± 6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2263
• Residual factor for significantly intense reflections: 0.1196
• Weighted residual factors for significantly intense reflections: 0.3193
• Weighted residual factors for all reflections included in the refinement: 0.3859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No