Information card for entry 2021059

Structure parameters

• Chemical name: Poly[diaqua{μ~3~-4-[(pyrimidin-2-ylazanidyl)sulfonyl]aniline}potassium(I)]
• Formula: C10 H13 K N4 O4 S
• Calculated formula: C10 H13 K N4 O4 S
• Title of publication: Salt forms of sulfadiazine with alkali metal and organic cations
• Authors of publication: Campbell, Gemma; Fisher, Rebecca; Kennedy, Alan R.; King, Nathan L. C.; Spiteri, Rebecca
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 4
• a: 8.8503 ± 0.0007 Å
• b: 9.6385 ± 0.0004 Å
• c: 15.9734 ± 0.0007 Å
• α: 92.35 ± 0.004°
• β: 95.186 ± 0.004°
• γ: 94.209 ± 0.004°
• Cell volume: 1351.79 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes