Information card for entry 4085626

Structure parameters

• Formula: C59 H62 Cl2 Cr2 N4 O2
• Calculated formula: C59 H62 Cl2 Cr2 N4 O2
• Title of publication: Effect of Cocatalysts and Solvent on Selective Ethylene Oligomerization
• Authors of publication: Vadake Kulangara, Shaneesh; Haveman, Daniel; Vidjayacoumar, Bala; Korobkov, Ilia; Gambarotta, Sandro; Duchateau, Rob
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1203
• a: 9.0393 ± 0.0006 Å
• b: 12.141 ± 0.0007 Å
• c: 13.0865 ± 0.0008 Å
• α: 110.516 ± 0.002°
• β: 99.497 ± 0.002°
• γ: 97.906 ± 0.002°
• Cell volume: 1296.65 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1007
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No