Information card for entry 7011941

Structure parameters

• Formula: C28 H36 Cu2 N6 O6 S2
• Calculated formula: C28 H36 Cu2 N6 O6 S2
• SMILES: C(CC[NH+](C)C)[N]1[Cu]2(N=C=S)(Oc3ccccc3C=1)[O]=C1C(=[O][Cu]3(O1)([N](=Cc1c(cccc1)O3)CCC[NH+](C)C)N=C=S)O2
• Title of publication: Synthesis, structure and magnetic properties of a mononuclear Cu(ii) complex with a NNO donor Schiff base ligand and its oxalato- and oxamidato-bridged dinuclear complexes
• Authors of publication: Saha, Manas Kumar; Dey, Dilip Kumar; Samanta, Brajagopal; Edwards, Andrew J.; Clegg, William; Mitra, Samiran
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 3
• Pages of publication: 488
• a: 9.382 ± 0.0008 Å
• b: 13.6689 ± 0.0011 Å
• c: 12.224 ± 0.001 Å
• α: 90°
• β: 99.72 ± 0.002°
• γ: 90°
• Cell volume: 1545.1 ± 0.2 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 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: 0.0318
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0688
• 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