Information card for entry 1556707

Structure parameters

• Formula: C14 H16 Cl4 Cu2 N8 O2
• Calculated formula: C14 H16 Cl4 Cu2 N8 O2
• SMILES: c1[n]2c(C(=[NH][Cu]32([Cl][Cu]2([n]4cn(C)c(C#N)c4C(=[NH]2)OC)([Cl]3)Cl)Cl)OC)c(C#N)n1C
• Title of publication: Activation of the Cyano Group at Imidazole via Copper Stimulated Alcoholysis
• Authors of publication: Gayfullina, R.; Jaaskelainen, S.; Koshevoy, I.O.; Hirva, P.
• Journal of publication: Inorganics
• Year of publication: 2019
• Journal volume: 7
• Pages of publication: 87
• a: 7.1887 ± 0.0004 Å
• b: 7.4368 ± 0.0005 Å
• c: 10.5356 ± 0.0007 Å
• α: 82.585 ± 0.003°
• β: 89.776 ± 0.003°
• γ: 84.799 ± 0.003°
• Cell volume: 556.22 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0438
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No