Information card for entry 1556346

Structure parameters

• Common name: (H2im)2SO4.2H2O
• Chemical name: IMIDAZOLIUM SULFATE DIHYDRATE
• Formula: C6 H14 N4 O6 S
• Calculated formula: C6 H14 N4 O6 S
• SMILES: c1[nH]cc[nH+]1.[O-]S(=O)(=O)[O-].O.c1[nH]cc[nH+]1.O
• Title of publication: Accelerated aging: a low energy, solvent-free alternative to solvothermal and mechanochemical synthesis of metal‒organic materials
• Authors of publication: Cliffe, Matthew J.; Mottillo, Cristina; Stein, Robin S.; Bučar, Dejan-Krešimir; Friščić, Tomislav
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 8
• Pages of publication: 2495
• a: 7.9553 ± 0.0006 Å
• b: 7.9553 ± 0.0006 Å
• c: 18.7605 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1187.29 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No