Information card for entry 2108864

Structure parameters

• Common name: disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate
• Chemical name: disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate
• Formula: C5 H17 N5 Na2 O8
• Calculated formula: C5 H17 N5 Na2 O8
• Title of publication: A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O
• Authors of publication: Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 5
• a: 10.5318 ± 0.0002 Å
• b: 11.68404 ± 0.00019 Å
• c: 11.1931 ± 0.0002 Å
• α: 90°
• β: 101.563 ± 0.002°
• γ: 90°
• Cell volume: 1349.4 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes