Information card for entry 2200490

Structure parameters

• Common name: Bis(L-histidinium sulfate) trihydrate
• Chemical name: Bis(L-histidinium sulfate) trihydrate
• Formula: C6 H14 N3 O7.5 S
• Calculated formula: C6 H14 N3 O7.515 S
• Title of publication: Bis(<small>L</small>-histidinium sulfate) trihydrate
• Authors of publication: Srinivasan, N.; Sridhar, B.; Rajaram, R. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: o607 - o609
• a: 8.34 ± 0.0013 Å
• b: 8.9291 ± 0.0011 Å
• c: 10.724 ± 0.002 Å
• α: 102.576 ± 0.013°
• β: 107.704 ± 0.015°
• γ: 119.667 ± 0.011°
• Cell volume: 592 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes