Information card for entry 1513863

Structure parameters

• Formula: C33 H24.67 O13 Zn2.67
• Calculated formula: C33 H24.67 O12.33 Zn2.44333
• 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: 23.9647 ± 0.0014 Å
• b: 23.9647 ± 0.0014 Å
• c: 23.9647 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13763.1 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 195
• Hermann-Mauguin space group symbol: P 2 3
• Hall space group symbol: P 2 2 3
• Residual factor for all reflections: 0.1705
• Residual factor for significantly intense reflections: 0.0966
• Weighted residual factors for significantly intense reflections: 0.2585
• Weighted residual factors for all reflections included in the refinement: 0.2899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No