Information card for entry 7220720

Structure parameters

• Formula: C350 H457 Cu16 N31 O44
• Calculated formula: C350 H457 Cu16 N31 O44
• 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: 14.239 ± 0.0006 Å
• b: 51.092 ± 0.002 Å
• c: 14.3358 ± 0.0005 Å
• α: 90°
• β: 118.806 ± 0.003°
• γ: 90°
• Cell volume: 9138.7 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1362
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.1991
• Weighted residual factors for all reflections included in the refinement: 0.2448
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No