Information card for entry 7108748

Structure parameters

• Formula: C42 H30 O22 Zn5
• Calculated formula: C42 H30 O22 Zn5
• Title of publication: A porous metal-organic framework based on Zn6O2 clusters:: chemical stability, gas adsorption properties and solvatochromic behavior
• Authors of publication: Jiehu Cui; Yizhi Li; Zijian Guo; Hegen Zheng
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 555
• a: 6.3108 ± 0.0013 Å
• b: 12.639 ± 0.003 Å
• c: 15.631 ± 0.003 Å
• α: 95.723 ± 0.003°
• β: 99.878 ± 0.004°
• γ: 97.86 ± 0.004°
• Cell volume: 1207 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No