Information card for entry 7721057

Structure parameters

• Formula: C41 H56 Cl Cu N2 O
• Calculated formula: C41 H56 Cl Cu N2 O
• Title of publication: Persistent radical effect-mediated Cu-O bond homolysis: EPR spectroscopic evidence in NHC-copper phenolate systems.
• Authors of publication: Huan, Zhen; Yang, Jin-Dong; Cheng, Jin-Pei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• a: 20.4253 ± 0.0005 Å
• b: 9.4945 ± 0.0002 Å
• c: 40.0921 ± 0.001 Å
• α: 90°
• β: 92.269 ± 0.002°
• γ: 90°
• Cell volume: 7768.9 ± 0.3 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No