Information card for entry 4304111

Structure parameters

• Common name: L2Cu2
• Formula: C18 H18 Cu2 N2 O4 S2
• Calculated formula: C18 H18 Cu2 N2 O4 S2
• SMILES: c12C=[N]3[Cu]4(Sc1cccc2)[O](CCO3)[Cu]12Sc3c(cccc3)C=[N]1OCC[O]42
• Title of publication: Synthesis, Stability, and Complexation Behavior of Isolable Salen-Type N2S2 and N2SO Ligands Based on Thiol and Oxime Functionalities
• Authors of publication: Shigehisa Akine; Ayako Akimoto; Takuya Shiga; Hiroki Oshio; Tatsuya Nabeshima
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 875 - 885
• a: 5.737 ± 0.004 Å
• b: 8.386 ± 0.007 Å
• c: 10.552 ± 0.006 Å
• α: 84.74 ± 0.03°
• β: 74.9 ± 0.02°
• γ: 69.13 ± 0.03°
• Cell volume: 458 ± 0.6 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0246
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No