Information card for entry 7235767

Structure parameters

• Formula: C212 H231 N25 Ni12 O78
• Calculated formula: C212 H231 N25 Ni12 O78
• Title of publication: A series of metal‒organic frameworks based on 5-(4-pyridyl)-isophthalic acid: selective sorption and fluorescence sensing
• Authors of publication: Zheng, Xiaofang; Zhou, Li; Huang, Yumei; Wang, Chenggang; Duan, Jingui; Wen, Lili; Tian, Zhengfang; Li, Dongfeng
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2014
• Journal volume: 2
• Journal issue: 31
• Pages of publication: 12413
• a: 10.9495 ± 0.0017 Å
• b: 22.0856 ± 0.0014 Å
• c: 28.3314 ± 0.001 Å
• α: 100.496 ± 0.002°
• β: 99.542 ± 0.003°
• γ: 101.674 ± 0.002°
• Cell volume: 6449.6 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No