Information card for entry 2200726

Structure parameters

• Common name: Cytosine Cadmium Dibromide
• Chemical name: Bis-(4-amino-2(1H)-pyridinone)dibromocadmium(II)
• Formula: C8 H10 Br2 Cd N6 O2
• Calculated formula: C8 H10 Br2 Cd N6 O2
• SMILES: [Cd](Br)(Br)([N]1C(=O)NC=CC=1N)[N]1C(=O)NC=CC=1N
• Title of publication: Metal‒nucleobase interaction: dibromobis(cytosine)cadmium(II)
• Authors of publication: Thomas Muthiah, Packianathan; Justin Robert, Jebamony; Baskar Raj, Savarimuthu; Bocelli, Gabriele; Rita Ollá
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: m558 - m560
• a: 7.874 ± 0.002 Å
• b: 12.624 ± 0.003 Å
• c: 7.117 ± 0.003 Å
• α: 105.87 ± 0.04°
• β: 92.67 ± 0.03°
• γ: 87.93 ± 0.03°
• Cell volume: 679.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.061
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for all reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes