Information card for entry 2205576

Structure parameters

• Chemical name: Guaninium chloride dihydrate
• Formula: C5 H10 Cl N5 O3
• Calculated formula: C5 H10 Cl N5 O3
• SMILES: [Cl-].O=c1[nH]c(nc2[nH]c[nH+]c12)N.O.O
• Title of publication: Redetermination of guaninium chloride dihydrate
• Authors of publication: Thomas C. Lewis; Derek A. Tocher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o1023 - o1025
• a: 4.8587 ± 0.0011 Å
• b: 13.228 ± 0.003 Å
• c: 14.612 ± 0.003 Å
• α: 90°
• β: 93.862 ± 0.004°
• γ: 90°
• Cell volume: 937 ± 0.4 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: 0.0401
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes