Information card for entry 7218878

Structure parameters

• Formula: C23 H28 Cu N2 O2
• Calculated formula: C23 H28 Cu N2 O2
• SMILES: [Cu]12([O]=C(O1)C)[N](c1c(cccc1C)C)=C(C)C=C(N2c1c(C)cccc1C)C
• Title of publication: C-nitrosation of a -diketiminate ligand in copper(II) complex
• Authors of publication: Mondal, Biplab; Kalita, Aswini; Kumar, Vikash
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 7.0615 ± 0.0003 Å
• b: 12.4388 ± 0.0006 Å
• c: 13.4851 ± 0.0008 Å
• α: 70.511 ± 0.005°
• β: 83.469 ± 0.004°
• γ: 76.344 ± 0.004°
• Cell volume: 1084.26 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No