Information card for entry 7716214

Structure parameters

• Chemical name: dichloro-bis(4-Formyl-5-methylimidazole-N,O)-cadmium(II)
• Formula: C10 H12 Cd Cl2 N4 O2
• Calculated formula: C10 H12 Cd Cl2 N4 O2
• SMILES: c1[n]2c(c(C)[nH]1)C=[O][Cd]12(Cl)(Cl)[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: 7.132 ± 0.003 Å
• b: 8.627 ± 0.004 Å
• c: 12.649 ± 0.006 Å
• α: 69.79 ± 0.04°
• β: 75.84 ± 0.04°
• γ: 78.74 ± 0.04°
• Cell volume: 702.9 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0649
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No