Information card for entry 7715201

Structure parameters

• Formula: C20 H17 Cl2 Cu N3 O4
• Calculated formula: C20 H17 Cl2 Cu N3 O4
• Title of publication: Amphoteric reactivity of a putative Cu(II)-<i>m</i>CPBA intermediate.
• Authors of publication: Kumar, Rakesh; Maji, Anweshika; Biswas, Bhargab; Draksharapu, Apparao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 5401 - 5406
• a: 10.1316 ± 0.0003 Å
• b: 10.7203 ± 0.0003 Å
• c: 11.9188 ± 0.0003 Å
• α: 68.147 ± 0.001°
• β: 68.421 ± 0.001°
• γ: 86.364 ± 0.001°
• Cell volume: 1113.25 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0287
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No