Information card for entry 7717141

Structure parameters

• Formula: C20 H12 Mn N2 O6
• Calculated formula: C20 H14 Mn N2 O6
• Title of publication: Mixed-Ligand based water-stable Mn(II)-MOF for quick, sensitive, and reusable IFE-PET-RET facilitated detection of Formaldehyde and Cr(VI)-Oxoanions in Food and Industrial Water like real-field samples: Experimental and Theoretical insights
• Authors of publication: Mondal, Udayan; Nag, Somrita; Pal, Rajeshwari; Banerjee, Priyabrata
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 8.434 ± 0.0003 Å
• b: 12.1634 ± 0.0004 Å
• c: 17.4367 ± 0.0005 Å
• α: 90°
• β: 100.576 ± 0.002°
• γ: 90°
• Cell volume: 1758.38 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No