Information card for entry 2021150

Structure parameters

• Common name: Bis(cytosine)diiodidocadmium(II)
• Chemical name: Bis(4-amino-1,2-dihydropyrimidin-2-one-κ<i>N</i>^3^)diiodidocadmium(II)
• Formula: C8 H10 Cd I2 N6 O2
• Calculated formula: C8 H10 Cd I2 N6 O2
• SMILES: [Cd](I)(I)([n]1c(=O)[nH]ccc1N)[n]1c(=O)[nH]ccc1N
• 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: 7.2911 ± 0.0003 Å
• b: 8.1724 ± 0.0003 Å
• c: 12.5766 ± 0.0005 Å
• α: 89.109 ± 0.0013°
• β: 74.2345 ± 0.0013°
• γ: 87.4815 ± 0.0013°
• Cell volume: 720.49 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections included in the refinement: 0.043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes