Information card for entry 7113448

Structure parameters

• Formula: C38 H44 N2 Ni O2
• Calculated formula: C38 H44 N2 Ni O2
• SMILES: [N]1([Ni]2(Oc3ccccc3C=1)[N](=Cc1c(O2)cccc1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)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: 8.005 ± 0.0005 Å
• b: 10.1054 ± 0.0006 Å
• c: 11.0123 ± 0.0007 Å
• α: 113.519 ± 0.001°
• β: 97.426 ± 0.001°
• γ: 97.673 ± 0.001°
• Cell volume: 793.01 ± 0.09 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 2.406
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7104795
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No