Information card for entry 1564426

Structure parameters

• Formula: C12 H8 Cu N6 O8
• Calculated formula: C12 H8 Cu N6 O8
• Title of publication: Mechanistic studies on the in-situ generation of furoxan ring during the formation of Cu(II) coordination compound from dioxime ligand: Theoretical and experimental study
• Authors of publication: Bikas, Rahman; Valadbeigi, Younes; Otręba, Marta; Lis, Tadeusz
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 510
• Pages of publication: 119756
• a: 10.468 ± 0.003 Å
• b: 14.359 ± 0.004 Å
• c: 20.227 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3040.3 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0449
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No