Information card for entry 7212923

Structure parameters

• Common name: Mg-MOF-1
• Formula: C7 H3 Mg N O5
• Calculated formula: C7 H3 Mg N O5
• Title of publication: Selective CO2 and H2 adsorption in a chiral magnesium-based metal organic framework (Mg-MOF) with open metal sites
• Authors of publication: Mallick, Arijit; Saha, Subhadeep; Pachfule, Pradip; Roy, Sudip; Banerjee, Rahul
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2010
• Journal volume: 20
• Journal issue: 41
• Pages of publication: 9073
• a: 11.4858 ± 0.0017 Å
• b: 11.4858 ± 0.0017 Å
• c: 14.756 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1685.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 178
• Hermann-Mauguin space group symbol: P 61 2 2
• Hall space group symbol: P 61 2 (0 0 5)
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.2331
• Weighted residual factors for all reflections included in the refinement: 0.2337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.237
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No