Information card for entry 2021151

Structure parameters

• Common name: Bis(cytosine)bis(nitrato)cadmium(II),
• Chemical name: Bis(4-amino-1,2-dihydropyrimidin-2-one-κ<i>N</i>^3^)bis(nitrato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)
• Formula: C8 H10 Cd N8 O8
• Calculated formula: C8 H10 Cd N8 O8
• SMILES: [Cd]123([O]=N(=O)O1)(ON(=[O]2)=O)([n]1c(=O)[nH]ccc1N)[n]1c([nH]ccc1N)=[O]3
• Title of publication: Supramolecular architectures in metal(II) (Cd/Zn) halide/nitrate complexes of cytosine/5-fluorocytosine
• Authors of publication: Karthikeyan, Ammasai; Zeller, Matthias; Thomas Muthiah, Packianathan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 7
• a: 12.9213 ± 0.0005 Å
• b: 8.5142 ± 0.0003 Å
• c: 13.6486 ± 0.0006 Å
• α: 90°
• β: 104.259 ± 0.001°
• γ: 90°
• Cell volume: 1455.29 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0354
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes