Information card for entry 7203386

Structure parameters

• Chemical name: 1,5-diisopropyl-3-(2-pyridyl)-6-oxoverdazyl
• Formula: C13 H18 N5 O
• Calculated formula: C13 H18 N5 O
• SMILES: O=C1N([N]C(=NN1C(C)C)c1ncccc1)C(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: 5.1997 ± 0.0013 Å
• b: 26.482 ± 0.007 Å
• c: 10.429 ± 0.003 Å
• α: 90°
• β: 103.785 ± 0.004°
• γ: 90°
• Cell volume: 1394.7 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1148
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No