Information card for entry 7203387

Structure parameters

• Formula: C18 H13 Cu F12 N6 O5
• Calculated formula: C18 H13 Cu F12 N6 O5
• SMILES: [Cu]123([O]=C(C(F)(F)F)C=C(O1)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O2)C(F)(F)F)N1N(C(=O)N(N=C1c1[n]3ccn1C)C)C
• Title of publication: Magnetostructural studies of copper(ii)?verdazyl radical complexes
• Authors of publication: Gilroy, Joe B.; Koivisto, Bryan D.; McDonald, Robert; Ferguson, Michael J.; Hicks, Robin G.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2006
• Journal volume: 16
• Journal issue: 26
• Pages of publication: 2618
• a: 9.811 ± 0.0009 Å
• b: 10.9073 ± 0.001 Å
• c: 12.5202 ± 0.0012 Å
• α: 78.5653 ± 0.0014°
• β: 83.4835 ± 0.0014°
• γ: 73.6999 ± 0.0014°
• Cell volume: 1258 ± 0.2 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: 0.0636
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No