Information card for entry 4342964

Structure parameters

• Formula: C28 H42 Cu N2 O5
• Calculated formula: C28 H42 Cu N2 O5
• SMILES: c1cccc2C[N]3(C(C)C)Cc4c(c(cc(c4)C(C)(C)C)C(C)(C)C)[OH][Cu]3([n]12)(OC(=O)C)OC(=O)C
• Title of publication: Oxo Transfer from Nitrogen Dioxide to Nitrito Group in a Copper(II) Complex.
• Authors of publication: Gogoi, Kuldeep; Deka, Hemanta; Kumar, Vikash; Mondal, Biplab
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 4799 - 4805
• a: 10.116 ± 0.002 Å
• b: 15.428 ± 0.003 Å
• c: 18.573 ± 0.004 Å
• α: 90°
• β: 94.603 ± 0.006°
• γ: 90°
• Cell volume: 2889.3 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1097
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No