Information card for entry 2022261

Structure parameters

• Chemical name: Poly[(μ-4,6-diaminopyrimidine-2-sulfinato)potassium(I)]
• Formula: C4 H5 K N4 O2 S
• Calculated formula: C4 H5 K N4 O2 S
• Title of publication: When solvent becomes reactant: a study of 6-aminothiocytosine derivatives
• Authors of publication: Grześkiewicz, Anita M.; Ostrowska, Agata; Borzylo, Dmytro; Kubicki, Maciej
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 10
• Pages of publication: 992 - 999
• a: 6.9631 ± 0.0008 Å
• b: 8.035 ± 0.001 Å
• c: 8.0886 ± 0.001 Å
• α: 103.021 ± 0.01°
• β: 111.568 ± 0.011°
• γ: 106.007 ± 0.01°
• Cell volume: 376.56 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0388
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes