Information card for entry 4341753

Structure parameters

• Formula: C30 H24 Cu N6 O10 S2
• Calculated formula: C30 H24 Cu N6 O10 S2
• SMILES: c1([n](c2c(cc(cc2)OC)s1)[Cu]([n]1c(N)sc2cc(ccc12)OC)(OC(=O)c1cc(N(=O)=O)ccc1)OC(=O)c1cc(N(=O)=O)ccc1)N
• Title of publication: Mixed Ligand Cu(II)N2O2 Complexes: Biomimetic Synthesis, Activities in Vitro and Biological Models, Theoretical Calculations.
• Authors of publication: Li, Chen; Yin, Bing; Kang, Yifan; Liu, Ping; Chen, Liang; Wang, Yaoyu; Li, Jianli
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141203154341001
• a: 7.1887 ± 0.0011 Å
• b: 9.6527 ± 0.0014 Å
• c: 12.1714 ± 0.0018 Å
• α: 100.088 ± 0.002°
• β: 105.844 ± 0.002°
• γ: 96.898 ± 0.002°
• Cell volume: 787.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0592
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No