Information card for entry 1566009

Structure parameters

• Formula: C15 H13 Br Cu N4 O5
• Calculated formula: C15 H13 Br Cu N4 O5
• SMILES: Br[Cu]123[n]4ccccc4C=[N]1OCCO[N]2=Cc1c(ccc(c1)N(=O)=O)O3
• Title of publication: Studying anion-dependent paradoxically fluorescent Cu(II) complexes bearing a pyridine-decorated tetradentate half-salamo-like ligand
• Authors of publication: Han, Xiu-Juan; Li, Ruo-Yu; Yue, Yong-Ning; Zhang, Yang; Dong, Wen-Kui
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2022
• Journal volume: 529
• Pages of publication: 120634
• a: 10.1814 ± 0.0003 Å
• b: 11.8905 ± 0.0003 Å
• c: 13.7196 ± 0.0003 Å
• α: 90°
• β: 93.703 ± 0.002°
• γ: 90°
• Cell volume: 1657.45 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• 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: 0.0483
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No