Information card for entry 7203385

Structure parameters

• Formula: C9 H10 Cl2 Cu N5 O
• Calculated formula: C9 H10 Cl2 Cu N5 O
• SMILES: [Cu]1(Cl)(Cl)N2N(C(=O)N(N=C2c2[n]1cccc2)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: 14.9568 ± 0.0012 Å
• b: 9.9809 ± 0.0008 Å
• c: 17.3231 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2586 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No