Information card for entry 7236356

Structure parameters

• Common name: Magnesium acetato 4-(1H-1,2,4-triazol-1-yl)benzoate
• Chemical name: 'Magnesium acetato 4-(1H-1,2,4-triazol-1-yl)benzoate'
• Formula: C11 H9 Mg N3 O4
• Calculated formula: C11 H9 Mg N3 O4
• Title of publication: Strategically designed azolyl-carboxylate MOFs for potential humid CO2 capture
• Authors of publication: Nandi, Shyamapada; Haldar, Sattwick; Chakraborty, Debanjan; Vaidhyanathan, Ramanathan
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 2
• Pages of publication: 535
• a: 23.61 ± 0.0007 Å
• b: 23.61 ± 0.0007 Å
• c: 25.085 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13983.2 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.242
• Weighted residual factors for all reflections included in the refinement: 0.2523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No