Information card for entry 7220718

Structure parameters

• Formula: C70.67 H88 Cu4 N4 O14.33
• Calculated formula: C70.6666 H87.9998 Cu4 N4 O14.3333
• Title of publication: Mono-and Tetra-nuclear copper complexes bearing bis(imino)phenoxide derived ligands: catalytic evaluation for benzene oxidation and ROP of epsilon-caprolactone
• Authors of publication: Wang, Xue; Zhao, Keqing; Elsegood, Mark Robert James; Prior, Timothy J.; Liu, Xiaoming; Li, Wu; Sanz, Sergio; Brechin, Euan K.; Redshaw, Carl
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 14.1438 ± 0.0009 Å
• b: 14.8853 ± 0.0005 Å
• c: 20.3062 ± 0.0005 Å
• α: 82.021 ± 0.002°
• β: 88.299 ± 0.003°
• γ: 64.613 ± 0.005°
• Cell volume: 3822.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1248
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1908
• Weighted residual factors for all reflections included in the refinement: 0.2288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No