Information card for entry 4516837

Structure parameters

• Formula: C40 H32 B Cl2 Cr F20 O4
• Calculated formula: C40 H32 B Cl2 Cr F20 O4
• SMILES: [B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.C1CCC[O]1[Cr]([O]1CCCC1)(Cl)([O]1CCCC1)([O]1CCCC1)Cl
• Title of publication: Methylaluminoxane-Free Chromium Catalytic System for Ethylene Tetramerization.
• Authors of publication: Kim, Eun Ho; Lee, Hyun Mo; Jeong, Myoung Sun; Ryu, Ji Yeon; Lee, Junseong; Lee, Bun Yeoul
• Journal of publication: ACS omega
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 3
• Pages of publication: 765 - 773
• a: 17.0405 ± 0.0003 Å
• b: 17.0405 ± 0.0003 Å
• c: 28.3198 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8223.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 120
• Hermann-Mauguin space group symbol: I -4 c 2
• Hall space group symbol: I -4 -2c
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No