Information card for entry 7247124

Structure parameters

• Formula: C10 H14 K N5 O10 P2
• Calculated formula: C10 H14 K N5 O10 P2
• Title of publication: Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system
• Authors of publication: Kaszubowski, Oskar; Ślepokura, Katarzyna
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 32
• Pages of publication: 4592 - 4603
• a: 26.388 ± 0.009 Å
• b: 10.285 ± 0.004 Å
• c: 6.2377 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1692.9 ± 1 ų
• Cell temperature: 320 ± 2 K
• Ambient diffraction temperature: 320 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No