Information card for entry 7037545

Structure parameters

• Formula: C39 H58.5 Cu N2 O5.5
• Calculated formula: C39 H58.5 Cu N2 O5.5
• Title of publication: Copper(ii) mediated phenol ring nitration by nitrogen dioxide.
• Authors of publication: Kumar, Vikash; Ghosh, Somnath; Saini, Anoop Kumar; Mobin, Shaikh M.; Mondal, Biplab
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 46
• Pages of publication: 19909 - 19917
• a: 26.8261 ± 0.0011 Å
• b: 10.7728 ± 0.0004 Å
• c: 27.9227 ± 0.0017 Å
• α: 90°
• β: 96.304 ± 0.004°
• γ: 90°
• Cell volume: 8020.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.149
• Residual factor for significantly intense reflections: 0.093
• Weighted residual factors for significantly intense reflections: 0.233
• Weighted residual factors for all reflections included in the refinement: 0.2647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No