Information card for entry 7054512

Structure parameters

• Formula: C27 H23 Cu N3 O4 S
• Calculated formula: C27 H23 Cu N3 O4 S
• SMILES: [Cu]123([n]4c(C[N]1(Cc1[n]2c2c(cc1)cccc2)Cc1ccccc1)ccc1ccccc41)OS(=O)(=O)O3
• Title of publication: Significant differences in the biological activity of mononuclear Cu(ii) and Ni(ii) complexes with the polyquinolinyl ligand
• Authors of publication: Li, Jun-Ling; Jiang, Lin; Wang, Bi-Wei; Tian, Jin-Lei; Gu, Wen; Liu, Xin; Yan, Shi-Ping
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 1
• Pages of publication: 529
• a: 26.919 ± 0.005 Å
• b: 8.723 ± 0.0017 Å
• c: 22.424 ± 0.005 Å
• α: 90°
• β: 107.99 ± 0.03°
• γ: 90°
• Cell volume: 5008.1 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No