Information card for entry 7236357

Structure parameters

• Common name: Manganese acetato 4-(1H-1,2,4-triazol-1-yl)benzoate
• Chemical name: 'Manganese acetato 4-(1H-1,2,4-triazol-1-yl)benzoate'
• Formula: C11 H9 Mn N4 O3
• Calculated formula: C11 H9 Mn N4 O3
• 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: 23.3159 ± 0.0016 Å
• b: 23.3159 ± 0.0016 Å
• c: 24.8737 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13522.1 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1191
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No