Information card for entry 7117049

Structure parameters

• Formula: C14 H8 Mn N6 O4 S2
• Calculated formula: C14 H8 Mn N6.86 O4 S2
• Title of publication: Ground to conduct: mechanochemical synthesis of a metal-organic framework with high proton conductivity
• Authors of publication: Dariusz Matoga; Marcin Oszajca; Marcin Molenda
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 7637
• a: 9.723 ± 0.003 Å
• b: 14.061 ± 0.004 Å
• c: 7.1516 ± 0.0018 Å
• α: 90°
• β: 97.92 ± 0.03°
• γ: 90°
• Cell volume: 968.4 ± 0.5 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: 0.1035
• Residual factor for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections: 0.1132
• Weighted residual factors for significantly intense reflections: 0.1131
• Goodness-of-fit parameter for all reflections: 3.18
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No