Information card for entry 2239038

Structure parameters

• Common name: Cytosinium hydrogen selenite
• Chemical name: 6-Amino-2-methylidene-2,3-dihydropyrimidin-1-ium hydrogen selenite
• Formula: C4 H7 N3 O4 Se
• Calculated formula: C4 H7 N3 O4 Se
• SMILES: O=c1[nH+]ccc([nH]1)N.[Se](O)(=O)[O-]
• Title of publication: Cytosinium hydrogen selenite
• Authors of publication: Takouachet, Radhwane; Benali-Cherif, Rim; Benali-Cherif, Nourredine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o186 - o187
• a: 7.0051 ± 0.0003 Å
• b: 8.6342 ± 0.0002 Å
• c: 12.7131 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 768.93 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes