Information card for entry 2312665

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 H2 K2 N10 O4
• Calculated formula: C10 H2 K2 N10 O4
• Title of publication: Crystal structure of the incommensurate modulated high-pressure phase of the potassium guaninate monohydrate.
• Authors of publication: Gaydamaka, A. A.; Rashchenko, S. V.
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 6
• a: 34.434 ± 0.006 Å
• b: 3.41097 ± 0.0001 Å
• c: 28.253 ± 0.009 Å
• α: 90°
• β: 126.49 ± 0.04°
• γ: 90°
• Cell volume: 2667.9 ± 1.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.2868
• Residual factor for significantly intense reflections: 0.2119
• Weighted residual factors for significantly intense reflections: 0.3762
• Weighted residual factors for all reflections included in the refinement: 0.3914
• Goodness-of-fit parameter for significantly intense reflections: 7.9005
• Goodness-of-fit parameter for all reflections included in the refinement: 6.1716
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes