Information card for entry 4326836

Structure parameters

• Formula: C24 H13 Cl2 Cu N8 O8.5
• Calculated formula: C24 H13 Cl2 Cu N8 O8.5
• SMILES: [Cu]12(Cl)([n]3cccc4c3c3[n]1cccc3c1n(onc41)=O)[n]1cccc3c1c1[n]2cccc1c1non(=O)c31.Cl(=O)(=O)(=O)[O-].O
• Title of publication: Copper(II)-Mediated Oxidative Transformation ofvic-Dioxime to Furoxan: Evidence for a Copper(II)-Dinitrosoalkene Intermediate
• Authors of publication: Oindrila Das; Sayantan Paria; Ennio Zangrando; Tapan Kanti Paine
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11375 - 11383
• a: 13.127 ± 0.003 Å
• b: 15.606 ± 0.004 Å
• c: 25.53 ± 0.005 Å
• α: 90°
• β: 95.04 ± 0.03°
• γ: 90°
• Cell volume: 5210 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1254
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 0.817
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No