Information card for entry 7109324

Structure parameters

• Formula: C48 H68 N8 Na4 O4
• Calculated formula: C48 H68 N8 Na4 O4
• SMILES: [Na]1234[O]5(c6ccccc6C=[N]1CCC[N]2(C)C)[Na]126[O]3(c3ccccc3C=[N]1CCC[N]2(C)C)[Na]123[O]6(c6ccccc6C=[N]1CCC[N]2(C)C)[Na]125[O]43c3ccccc3C=[N]1CCC[N]2(C)C
• 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: 20.2549 ± 0.0014 Å
• b: 20.2549 ± 0.0014 Å
• c: 12.4783 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5119.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No