Information card for entry 7109323

Structure parameters

• Formula: C32.5 H32.75 Cl4 N3.25 Ni3 O2.5 S2
• Calculated formula: C32.5 H32.75 Cl4 N3.25 Ni3 O2.5 S2
• Title of publication: Sodium cubane and double-cubane aggregates of hybridised salicylaldimines and their transmetallation to nickel for catalytic ethylene oligomerisation
• Authors of publication: Xiaolu Song; Zhe Wang; Jin Zhao; T. S. Andy Hor
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4992
• a: 12.2929 ± 0.0014 Å
• b: 13.6662 ± 0.0016 Å
• c: 22.289 ± 0.003 Å
• α: 96.29 ± 0.002°
• β: 95.839 ± 0.002°
• γ: 98.85 ± 0.002°
• Cell volume: 3650.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No