Information card for entry 7212924

Structure parameters

• Common name: Mg-MOF-2
• Formula: C14 H18 Mg2 N2 O14
• Calculated formula: C14 H18 Mg2 N2 O14
• SMILES: c1(cc(ccn1)C(=O)[O-])C(=O)[O]1[Mg]([OH2])([OH2])([O]2C(=O)c3cc(cc[n]3[Mg]12([OH2])([OH2])[OH2])C(=O)[O-])[OH2]
• 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: 7.9273 ± 0.0018 Å
• b: 12.057 ± 0.003 Å
• c: 20.301 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1940.4 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 0.816
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No