Information card for entry 2237920

Structure parameters

• Chemical name: 2-[3-(Pyridin-1-ium-2-yl)-1<i>H</i>-pyrazol-1-yl]-6-[3-(pyridin-2-yl)-1<i>H</i>-pyrazol-1-yl]pyridinium sulfate methanol monosolvate
• Formula: C22 H21 N7 O5 S
• Calculated formula: C22 H21 N7 O5 S
• Title of publication: 2-[3-(Pyridin-1-ium-2-yl)-1<i>H</i>-pyrazol-1-yl]-6-[3-(pyridin-2-yl)-1<i>H</i>-pyrazol-1-yl]pyridinium sulfate methanol monosolvate
• Authors of publication: Huang, Linxia; Shu, Mouhai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o689
• a: 9.2575 ± 0.0005 Å
• b: 12.1707 ± 0.0007 Å
• c: 12.1991 ± 0.0007 Å
• α: 112.786 ± 0.006°
• β: 100.997 ± 0.005°
• γ: 106.363 ± 0.005°
• Cell volume: 1143.89 ± 0.15 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: 0.0922
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes