Information card for entry 4516995

Structure parameters

• Formula: C28 H20 Cu N2 O7
• Calculated formula: C28 H20 Cu N2 O7
• SMILES: [Cu]1(OC(=O)c2ccc(cc2)C=O)([OH2])(OC(=O)c2ccc(cc2)C=O)[n]2c3c4[n]1cccc4ccc3ccc2
• 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: 7.8659 ± 0.0005 Å
• b: 10.7334 ± 0.0005 Å
• c: 15.3411 ± 0.0009 Å
• α: 102.735 ± 0.005°
• β: 93.637 ± 0.005°
• γ: 107.559 ± 0.005°
• Cell volume: 1192.67 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1796
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No