Information card for entry 7113449

Structure parameters

• Formula: C36 H36 N2 Ni O
• Calculated formula: C36 H36 N2 Ni O
• SMILES: [Ni]1([N](c2c(cccc2C(C)C)C(C)C)=Cc2cccc(c2O1)c1c2ccccc2cc2ccccc12)([N]#CC)C
• Title of publication: Synthesis of neutral nickel catalysts for ethylene polymerization – the influence of ligand size on catalyst stability
• Authors of publication: Connor, Eric F.; Younkin, Todd R.; Henderson, Jason I.; Waltman, Andrew W.; Grubbs, Robert H.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 18
• Pages of publication: 2272 - 2273
• a: 18.0982 ± 0.0013 Å
• b: 14.4 ± 0.001 Å
• c: 22.383 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5833.3 ± 0.7 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7104796
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No