Information card for entry 7245881

Structure parameters

• Formula: C24 H16 Cu I4 N2 O6
• Calculated formula: C24 H16 Cu I4 N2 O6
• SMILES: Ic1c(O)c(C(=O)O[Cu]([n]2ccccc2)(OC(=O)c2c(O)c(I)cc(I)c2)[n]2ccccc2)cc(I)c1
• Title of publication: Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers
• Authors of publication: Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 1
• Pages of publication: 130 - 136
• a: 7.8509 ± 0.0003 Å
• b: 8.4157 ± 0.0005 Å
• c: 10.9695 ± 0.0006 Å
• α: 79.902 ± 0.005°
• β: 77.108 ± 0.004°
• γ: 87.265 ± 0.004°
• Cell volume: 695.52 ± 0.06 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0397
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No