Information card for entry 7219203

Structure parameters

• Formula: C30.75 H30 Mg2 N2.25 O12.75
• Calculated formula: C30.75 H24.75 Mg2 N2.25 O12.75
• Title of publication: Fluorescent Metal-organic Framework Based On Pyrene Chromophore For Sensing of Nitrobenzene
• Authors of publication: Xie, Shuilin; Wang, Haifeng; Liu, Zhonghua; Dai, Renke; Huang, Lizhen
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 11.064 ± 0.004 Å
• b: 15.957 ± 0.005 Å
• c: 23.362 ± 0.007 Å
• α: 90°
• β: 92.265 ± 0.009°
• γ: 90°
• Cell volume: 4121 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1754
• Residual factor for significantly intense reflections: 0.0991
• Weighted residual factors for significantly intense reflections: 0.2039
• Weighted residual factors for all reflections included in the refinement: 0.2371
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No