Information card for entry 7104797

Structure parameters

• Formula: C70 H66 N4 Ni O2
• Calculated formula: C70.003 H66 N4 Ni O2
• 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: 10.8701 ± 0.0008 Å
• b: 28.89 ± 0.002 Å
• c: 18.3122 ± 0.0014 Å
• α: 90°
• β: 97.839 ± 0.001°
• γ: 90°
• Cell volume: 5697 ± 0.7 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• 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: 0.0985
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.499
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No