Information card for entry 1570372

Structure parameters

• Formula: C16 H20 Mn N6 O6 S2
• Calculated formula: C16 H20 Mn N6 O6.5 S2
• Title of publication: From non-conductive MOF to proton-conducting metal-HOFs: a new class of reversible transformations induced by solvent-free mechanochemistry.
• Authors of publication: Lupa-Myszkowska, Magdalena; Oszajca, Marcin; Matoga, Dariusz
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 48
• Pages of publication: 14176 - 14181
• a: 10.4862 ± 0.0003 Å
• b: 15.4994 ± 0.0003 Å
• c: 7.56251 ± 0.00018 Å
• α: 90°
• β: 98.534 ± 0.003°
• γ: 90°
• Cell volume: 1215.52 ± 0.05 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1137
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.0733
• Goodness-of-fit parameter for all reflections: 1.6856
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No