Information card for entry 7716215

Structure parameters

• Chemical name: dibromo-bis(4-Formyl-5-methylimidazole-N,O)-cadmium(II)
• Formula: C10 H12 Br2 Cd N4 O2
• Calculated formula: C10 H12 Br2 Cd N4 O2
• SMILES: c1[n]2c(c(C)[nH]1)C=[O][Cd]12(Br)(Br)[n]2c[nH]c(c2C=[O]1)C
• Title of publication: Exploring novel Cd(II) complexes with 5-methyl-4-imidazolecarboxaldehyde: synthesis, structure, computational insights, and affinity to DNA through switchSense methodology.
• Authors of publication: Kowalik, Mateusz; Nowicka, Paulina; Brzeski, Jakub; Żukowska, Natalia; Masternak, Joanna; Kazimierczuk, Katarzyna; Makowski, Mariusz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 24
• Pages of publication: 10347 - 10360
• a: 7.1894 ± 0.0006 Å
• b: 7.6975 ± 0.0009 Å
• c: 26.177 ± 0.003 Å
• α: 90°
• β: 97.113 ± 0.008°
• γ: 90°
• Cell volume: 1437.5 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.033
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No