Information card for entry 7247126

Structure parameters

• Formula: C10 H18 K N5 O12 P2
• Calculated formula: C10 H18 K N5 O12 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: 28.31 ± 0.005 Å
• b: 10.412 ± 0.002 Å
• c: 6.2855 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1852.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No