Information card for entry 8107304

Structure parameters

• Formula: C19 H16 Br2 Cl2 Cu N2 O2
• Calculated formula: C19 H16 Br2 Cl2 Cu N2 O2
• SMILES: Brc1c2O[Cu]34Oc5c(C=[N]4CC(C[N]3=Cc2cc(Cl)c1)(C)C)cc(Cl)cc5Br
• Title of publication: {6,6′-((1E,1′E)-((2,2-dimethylpropane-1,3-diyl)bis(azaneylylidene))bis(methaneylylidene))bis(2-bromo-4-chlorophenolate)-κ4N,N′,O,O′}copper(II), C19H16Br2Cl2CuN2O2
• Authors of publication: Wu, Qiong; Yu, Guojun; Yang, Jiao; Yang, Qiuling
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 6
• Pages of publication: 1101 - 1103
• a: 12.4679 ± 0.0002 Å
• b: 8.6176 ± 0.0001 Å
• c: 19.7854 ± 0.0003 Å
• α: 90°
• β: 97.161 ± 0.001°
• γ: 90°
• Cell volume: 2109.23 ± 0.05 ų
• Cell temperature: 212.99 ± 0.1 K
• Ambient diffraction temperature: 212.99 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0383
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No