Information card for entry 4304110

Structure parameters

• Common name: [L2Cu2]-2CHCl3
• Formula: C22 H24 Cl6 Cu2 N2 O8
• Calculated formula: C22 H24 Cl6 Cu2 N2 O8
• SMILES: c12c(c(ccc1)OC)O[Cu]13[N](=C2)OCC[O]1[Cu]12Oc4c(cccc4OC)C=[N]1OCC[O]32.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 8.757 ± 0.003 Å
• b: 13.815 ± 0.007 Å
• c: 12.839 ± 0.005 Å
• α: 90°
• β: 108.501 ± 0.017°
• γ: 90°
• Cell volume: 1473 ± 1.1 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No