Information card for entry 4516996

Structure parameters

• Formula: C28 H18 N2 O6 Zn
• Calculated formula: C28 H18 N2 O6 Zn
• SMILES: [Zn]123(OC(=[O]2)c2ccc(cc2)C=O)([O]=C(c2ccc(cc2)C=O)O1)[n]1c2c4c(ccc2ccc1)ccc[n]34
• Title of publication: Copper(II), Zinc(II), and Cadmium(II) Formylbenzoate Complexes: Reactivity and Emission Properties.
• Authors of publication: Nath, Jitendra; Tarai, Arup; Baruah, Jubaraj B.
• Journal of publication: ACS omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 19
• Pages of publication: 18444 - 18455
• a: 7.6269 ± 0.0002 Å
• b: 18.8777 ± 0.0006 Å
• c: 16.9569 ± 0.0006 Å
• α: 90°
• β: 101.225 ± 0.002°
• γ: 90°
• Cell volume: 2394.72 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No