Information card for entry 4516841

Structure parameters

• Formula: C32 H12 Ag B F20 N4
• Calculated formula: C32 H12 Ag B F20 N4
• SMILES: [Ag]([N]#CC)([N]#CC)([N]#CC)[N]#CC.[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• 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: 10.9963 ± 0.0005 Å
• b: 17.015 ± 0.0008 Å
• c: 19.1408 ± 0.0009 Å
• α: 90°
• β: 105.158 ± 0.002°
• γ: 90°
• Cell volume: 3456.7 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No