Information card for entry 7109319

Structure parameters

• Formula: C37 H50 Cl3 N3 Ni3 O7
• Calculated formula: C37 H50 Cl3 N3 Ni3 O7
• SMILES: [Ni]1234([O]([Ni]567([N](=Cc8c([O]15[Ni]15([O]46c4ccccc4C=[N]1CCC[O]5C)([Cl]3)[Cl]7)cccc8)CCCOC)Cl)c1ccccc1C=[N]2CCCOC)[O]1CCCC1
• 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: 18.722 ± 0.002 Å
• b: 10.9768 ± 0.0013 Å
• c: 20.175 ± 0.002 Å
• α: 90°
• β: 104.568 ± 0.003°
• γ: 90°
• Cell volume: 4012.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.067
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No