Information card for entry 7117048

Structure parameters

• Formula: C19 H18 Mn N9 S5
• Calculated formula: C19 H18 Mn N9 S5
• SMILES: c1cccc[nH+]1.c1c[nH+]cc[nH+]1.C(=N[Mn](N=C=S)(N=C=S)(N=C=S)N=C=S)=S.c1cccc[nH+]1
• 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: 11.928 ± 0.005 Å
• b: 13.662 ± 0.005 Å
• c: 17.417 ± 0.005 Å
• α: 90 ± 0.005°
• β: 105.321 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2737.4 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No