Information card for entry 7226505

Structure parameters

• Common name: 7
• Formula: C51 H32 Cs0 Cu8 I8 N10 O31 Pr4
• Calculated formula: C51 H39 Cu8 I8 N10 O31 Pr4
• Title of publication: An alkali-ion insertion approach to structurally transform metal‒organic frameworks
• Authors of publication: Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 40
• Pages of publication: 7680
• a: 42.221 ± 0.005 Å
• b: 30.379 ± 0.004 Å
• c: 27.178 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 34859 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1834
• Weighted residual factors for all reflections included in the refinement: 0.2025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No