Information card for entry 7226500

Structure parameters

• Common name: 2
• Formula: C55 H45 Cu7 I7 N13 O22.5 Pr3
• Calculated formula: C55 H45 Cu7 I7 N13 O22.5 Pr3
• 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: 15.0627 ± 0.001 Å
• b: 16.6949 ± 0.0011 Å
• c: 18.0047 ± 0.0012 Å
• α: 115.295 ± 0.001°
• β: 101.985 ± 0.001°
• γ: 90.845 ± 0.001°
• Cell volume: 3976.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.0444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No