Information card for entry 4336152

Structure parameters

• Formula: C17 H24 Cl Cu N4 O9
• Calculated formula: C16.99 H22.57 Cl Cu N4 O8.94
• Title of publication: Reaction of a Copper(II)-Nitrosyl Complex with Hydrogen Peroxide: Phenol Ring Nitration through a Putative Peroxynitrite Intermediate
• Authors of publication: Apurba Kalita; Ramesh C. Deka; Biplab Mondal
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10897 - 10903
• a: 9.8228 ± 0.0002 Å
• b: 10.264 ± 0.0002 Å
• c: 11.3496 ± 0.0002 Å
• α: 89.626 ± 0.001°
• β: 82.154 ± 0.001°
• γ: 76.953 ± 0.001°
• Cell volume: 1103.96 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No