Information card for entry 1513864

Structure parameters

• Formula: C49.5 H36 N0 O19 Zn4
• Calculated formula: C49.5 H36 O19 Zn4
• Title of publication: Solid-state structural transformation doubly triggered by reaction temperature and time in 3D metal-organic frameworks: great enhancement of stability and gas adsorption
• Authors of publication: Shen, Ping; He, Wen-Wen; Du, Dong-Ying; Jiang, Hai-Long; Li, Shun-Li; Lang, Zhong-Ling; Su, Zhong-Min; Fu, Qiang; Lan, Ya-Qian
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 4
• Pages of publication: 1368
• a: 26.669 ± 0.003 Å
• b: 26.669 ± 0.003 Å
• c: 86.622 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 53355 ± 9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1675
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 0.7
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No