Information card for entry 2312340

Structure parameters

• Common name: potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate
• Chemical name: potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate
• Formula: C10 H12 K2 N10 O4
• Calculated formula: C10 H12 K2 N10 O4
• Title of publication: A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K⁺·C₅H₄N₅O^-·H₂O.
• Authors of publication: Gaydamaka, Anna A.; Rashchenko, Sergey V.; Semerikova, Anna I.; Smirnova, Ekaterina S.; Ivanova, Anna G.; Arkhipov, Sergey G.; Zakharov, Boris A.; Bogdanov, Nikita E.; Boldyreva, Elena V.
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 6
• a: 35.61 ± 0.07 Å
• b: 3.5185 ± 0.0002 Å
• c: 28.11 ± 0.04 Å
• α: 90°
• β: 128 ± 0.3°
• γ: 90°
• Cell volume: 2775 ± 13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.2067
• Weighted residual factors for all reflections included in the refinement: 0.2137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.2916 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes