Information card for entry 7035042

Structure parameters

• Formula: C28 H51 Al3 Cl4 Cr4 N3
• Calculated formula: C28 H51 Al3 Cl4 Cr4 N3
• 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: 11.6198 ± 0.0002 Å
• b: 29.9914 ± 0.0007 Å
• c: 12.3307 ± 0.0003 Å
• α: 90°
• β: 111.937 ± 0.001°
• γ: 90°
• Cell volume: 3986.04 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.13
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No