Information card for entry 7220719

Structure parameters

• Formula: C72 H86 Cu4 N8 O11
• Calculated formula: C72 H86 Cu4 N8 O11
• 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: 23.6777 ± 0.0005 Å
• b: 12.2318 ± 0.0003 Å
• c: 27.2068 ± 0.0006 Å
• α: 90°
• β: 113.205 ± 0.002°
• γ: 90°
• Cell volume: 7242.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No