Information card for entry 2226038

Structure parameters

• Chemical name: Bis(2-amino-6-methylpyrimidin-1-ium-4-olate- κ^2^<i>N</i>^3^,<i>O</i>)bis(nitrato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)
• Formula: C10 H14 Cd N8 O8
• Calculated formula: C10 H14 Cd N8 O8
• SMILES: [Cd]1234([O]=c5[n]1c([nH]c(c5)C)N)([O]=c1[n]2c([nH]c(c1)C)N)(ON(=O)=[O]3)[O]=N(=O)O4
• Title of publication: Bis(2-amino-6-methylpyrimidin-1-ium-4-olate-κ^2^<i>N</i>^3^,<i>O</i>)bis(nitrato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)
• Authors of publication: Kaabi, Kamel; El Glaoui, Meher; Pereira Silva, P. S.; Ramos Silva, M.; Ben Nasr, Cherif
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m617
• a: 7.723 ± 0.0012 Å
• b: 9.5247 ± 0.0016 Å
• c: 13.113 ± 0.002 Å
• α: 70.198 ± 0.009°
• β: 81.954 ± 0.008°
• γ: 69.84 ± 0.008°
• Cell volume: 851.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes