Information card for entry 2022848

Structure parameters

• Chemical name: Bis(2-aminobenzoxazole-κ<i>N</i>^3^)bis(acetato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)
• Formula: C18 H18 Cd N4 O6
• Calculated formula: C18 H18 Cd N4 O6
• SMILES: [Cd]12([n]3c(oc4c3cccc4)N)([O]=C(O2)C)([O]=C(O1)C)[n]1c2c(oc1N)cccc2
• Title of publication: Synthesis, structure and Hirshfeld surface analysis of a coordination compound of cadmium acetate with 2-aminobenzoxazole
• Authors of publication: Razzoqova, Surayyo; Ibragimov, Aziz; Torambetov, Batirbay; Kadirova, Shakhnoza; Holczbauer, Tamas; Ashurov, Jamshid; Ibragimov, Bakhtiyar
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 9
• Pages of publication: 862 - 866
• a: 25.0497 ± 0.0003 Å
• b: 9.8428 ± 0.0001 Å
• c: 16.7577 ± 0.0002 Å
• α: 90°
• β: 94.534 ± 0.001°
• γ: 90°
• Cell volume: 4118.83 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes