Information card for entry 4308100

Structure parameters

• Formula: C28 H33 Cl Cu N8 O8 S Zn
• Calculated formula: C28 H33 Cl Cu N8 O8 S Zn
• SMILES: [Cu]123(SC(=N[N]3=Cc3c4[O]1[Zn]156([O]2C(=O)C)[N](=Cc4cc(c3)C)CC[N]1(Cc1[n]5cccc1)Cc1[n]6cccc1)N)[N]#CC.Cl(=O)(=O)(=O)[O-].O
• Title of publication: Kit for Unsymmetric Dinucleating Double-Schiff-Base Ligands: Facile Access to a Versatile New Ligand System and Its First Heterobimetallic Copper-Zinc Complex
• Authors of publication: Arne Roth; Eike T. Spielberg; Winfried Plass
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4362 - 4364
• a: 13.1711 ± 0.0003 Å
• b: 14.7432 ± 0.0007 Å
• c: 17.24 ± 0.0007 Å
• α: 90°
• β: 93.042 ± 0.002°
• γ: 90°
• Cell volume: 3343 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 8
• 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: 0.0874
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No