Information card for entry 7708007

Structure parameters

• Formula: C17 H22 Cu N2 O4
• Calculated formula: C17 H22 Cu N2 O4
• SMILES: [Cu]123(Oc4ccccc4C[NH]2CC[NH]3Cc2cccc(OC)c2O1)[OH2]
• Title of publication: Breaking the symmetry: <i>C</i>₁-salans with (N-H) backbones.
• Authors of publication: Devonport, Jack; Spencer, John; Kostakis, George E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 35
• Pages of publication: 12069 - 12073
• a: 25.4875 ± 0.0006 Å
• b: 14.8482 ± 0.0003 Å
• c: 8.4815 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3209.77 ± 0.13 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No