Information card for entry 4321103

Structure parameters

• Formula: C14 H16 Cl2 Cu2 N6 O4
• Calculated formula: C14 H16 Cl2 Cu2 N6 O4
• SMILES: C1CC(=O)O[Cu]23([Cl][Cu]45([N](=Cc6[n]4cc[nH]6)CCC(=O)O5)[Cl]2)[N]1=Cc1[n]3cc[nH]1
• Title of publication: Helical-Chain Copper(II) Complexes and a Cyclic Tetranuclear Copper(II) Complex with Single Syn-Anti Carboxylate Bridges and Ferromagnetic Exchange Interactions
• Authors of publication: Enrique Colacio; Mustapha Ghazi; Raikko Kivekäs; José María Moreno
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2882 - 2890
• a: 8.199 ± 0.005 Å
• b: 8.942 ± 0.006 Å
• c: 6.866 ± 0.004 Å
• α: 103.85 ± 0.05°
• β: 108.51 ± 0.04°
• γ: 69.32 ± 0.05°
• Cell volume: 442 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.032
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No