Information card for entry 7044066

Structure parameters

• Formula: C25 H39 Cl5 Cu3 N10
• Calculated formula: C25 H39 Cl5 Cu3 N10
• Title of publication: Towards ionic liquids with tailored magnetic properties: bmim+ salts of ferro- and antiferromagnetic CuII3 triangles
• Authors of publication: Boudalis, Athanassios; Rogez, Guillaume; Heinrich, Benoît; Raptis, Raphael; Turek, Philippe
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 11.2091 ± 0.001 Å
• b: 13.1368 ± 0.0012 Å
• c: 13.3517 ± 0.0011 Å
• α: 93.015 ± 0.002°
• β: 108.718 ± 0.002°
• γ: 108.591 ± 0.002°
• Cell volume: 1738.4 ± 0.3 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No