Information card for entry 7056422

Structure parameters

• Formula: C14 H18 Cl4 Cu2 N6 S2
• Calculated formula: C14 H18 Cl4 Cu2 N6 S2
• SMILES: S1C2=[N](CCC1)[Cu]1([n]3n2ccc3)([Cl][Cu]2([N]3=C(SCCC3)n3ccc[n]23)([Cl]1)Cl)Cl
• Title of publication: Effects of the substituents of pyrazole/thiazine ligands on the magnetic properties of chloro-bridged Cu(II) complexes
• Authors of publication: Torres-García, Pablo; Luna-Giles, Francisco; Garcia, Bernalte; Platas-Iglesias, Carlos; Esteban-Gómez, David; Vinuelas-Zahinos, E.
• Journal of publication: New J. Chem.
• Year of publication: 2017
• a: 17.2598 ± 0.0014 Å
• b: 8.9759 ± 0.0007 Å
• c: 14.2902 ± 0.0012 Å
• α: 90°
• β: 106.6 ± 0.001°
• γ: 90°
• Cell volume: 2121.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No