Information card for entry 7713091

Structure parameters

• Formula: C12 H22 Cu N4 O3
• Calculated formula: C12 H22 Cu N4 O3
• Title of publication: Spectroscopic characterization and reactivity of a high valent (L)Cu(III) species supported by proline-based pseudo peptide
• Authors of publication: Eerlapally, Raju; Gupta, Sikha; Awasthi, Ayushi; Kumar, Rakesh; Draksharapu, Apparao
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 8.5368 ± 0.0004 Å
• b: 8.5368 ± 0.0004 Å
• c: 17.4591 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1101.9 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0202
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No