Information card for entry 2206608

Structure parameters

• Formula: C17 H17 Cu N3 O3
• Calculated formula: C17 H17 Cu N3 O3
• SMILES: [Cu]12(OC(=CC(=[N]1N=C(O2)c1c(O)cccc1)C)C)[n]1ccccc1
• Title of publication: [1-Acetylacetone (2-hydroxybenzoyl)hydrazonato]pyridinecopper(II)
• Authors of publication: Liu, Ming-Li; Dou, Jian-Min; Wang, Da-Qi; Li, Da-Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1662 - m1664
• a: 12.503 ± 0.005 Å
• b: 9.894 ± 0.004 Å
• c: 26.88 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3325 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.149
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.22
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes