Information card for entry 2235318

Structure parameters

• Chemical name: Bis(2-methyl-1<i>H</i>-imidazol-3-ium) naphthalene-1,5-disulfonate dihydrate
• Formula: C18 H24 N4 O8 S2
• Calculated formula: C18 H24 N4 O8 S2
• SMILES: Cc1[nH]cc[nH+]1.c1cc(c2c(c(ccc2)S(=O)(=O)[O-])c1)S(=O)(=O)[O-].O.Cc1[nH]cc[nH+]1.O
• Title of publication: Bis(2-methyl-1<i>H</i>-imidazol-3-ium) naphthalene-1,5-disulfonate dihydrate
• Authors of publication: Wang, Yu-feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1619
• a: 7.1301 ± 0.0014 Å
• b: 8.1773 ± 0.0016 Å
• c: 9.97 ± 0.002 Å
• α: 75.58 ± 0.03°
• β: 75.1 ± 0.03°
• γ: 80.34 ± 0.03°
• Cell volume: 540.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes