Information card for entry 7216245

Structure parameters

• Chemical name: disodium guanosine-5-phosphate heptahydrate
• Formula: C10 H26 N5 Na2 O15 P
• Calculated formula: C10 H26 N5 Na2 O15 P
• SMILES: P(=O)(OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(nc23)N)[C@H](O)[C@@H]1O)([O-])[O-].[Na+].[Na+].O.O.O.O.O.O.O
• Title of publication: Dynamics of water molecules and sodium ions in solid hydrates of nucleotides
• Authors of publication: Dračínský, Martin; Šála, Michal; Hodgkinson, Paul
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 29
• Pages of publication: 6756
• a: 9.0139 ± 0.0003 Å
• b: 21.2524 ± 0.0008 Å
• c: 22.2753 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4267.2 ± 0.3 ų
• Cell temperature: 120 ± 0.2 K
• Ambient diffraction temperature: 120 ± 0.2 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: 0.116
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1792
• Weighted residual factors for all reflections included in the refinement: 0.2118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No