Information card for entry 7226875

Structure parameters

• Formula: C30 H22 Mg2 N4 O10
• Calculated formula: C30 H22 Mg2 N4 O10
• Title of publication: A Porous Magnesium Metal‒Organic Framework Showing Selective Adsorption and Separation of Nitrile Guest Molecules
• Authors of publication: Xu, Jin; Yu, Yang; Li, Guanghua; Wang, Shanshan; Liu, Yongxin; Liu, Dan; Wang, Cheng
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 16.7513 ± 0.0015 Å
• b: 18.1923 ± 0.0017 Å
• c: 12.0258 ± 0.0011 Å
• α: 90°
• β: 123.87 ± 0.001°
• γ: 90°
• Cell volume: 3042.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No