Information card for entry 2228393

Structure parameters

• Common name: dibromobis(cytosine)zinc(II)'
• Chemical name: bis[4-aminopyrimidin-2(1<i>H</i>)-one-κ<i>N</i>^3^]dibromidozinc(II)
• Formula: C8 H10 Br2 N6 O2 Zn
• Calculated formula: C8 H10 Br2 N6 O2 Zn
• SMILES: Br[Zn](Br)([n]1c(=O)[nH]ccc1N)[n]1c(=O)[nH]ccc1N
• Title of publication: Metal‒nucleobase interaction: bis[4-aminopyrimidin-2(1<i>H</i>)-one-κ<i>N</i>^3^]dibromidozinc(II)
• Authors of publication: Karthikeyan, Ammasai; Ebenezer, Samuel; Muthiah, Packianathan Thomas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1693
• a: 7.1337 ± 0.0002 Å
• b: 7.8375 ± 0.0002 Å
• c: 12.4275 ± 0.0003 Å
• α: 86.746 ± 0.002°
• β: 75.199 ± 0.002°
• γ: 87.448 ± 0.002°
• Cell volume: 670.36 ± 0.03 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.059
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes