Information card for entry 7716217

Structure parameters

• Chemical name: tetrakis(4-Formyl-5-methylimidazole-N,O)-cadmium(II)bis(haxafluorophosphate)trihydrate
• Formula: C20 H28.63 Cd F12 N8 O6.31 P2
• Calculated formula: C20 H28.628 Cd F12 N8 O6.314 P2
• 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
• Year of publication: 2024
• a: 26.8364 ± 0.0012 Å
• b: 26.8364 ± 0.0012 Å
• c: 19.1349 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13780.8 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No