Information card for entry 7035041

Structure parameters

• Formula: C46 H64 Al2 Cl2 Cr2 N6
• Calculated formula: C47.008 H66.52 Al2 Cl1.496 Cr2 N6
• Title of publication: A chromium precursor for the Phillips ethylene trimerization catalyst: (2-ethylhexanoate)2CrOH.
• Authors of publication: Jeon, Jong Yeob; Park, Dong Sik; Lee, Dong Hwan; Eo, Seong Chan; Park, Seong Yeon; Jeong, Myoung Sun; Kang, Yi Young; Lee, Junseong; Lee, Bun Yeoul
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 24
• Pages of publication: 11004 - 11012
• a: 9.035 ± 0.0012 Å
• b: 24.836 ± 0.003 Å
• c: 10.7929 ± 0.0016 Å
• α: 90°
• β: 92.235 ± 0.009°
• γ: 90°
• Cell volume: 2420 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2007
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No