Information card for entry 4516838

Structure parameters

• Formula: C27 H36 Cr N3
• Calculated formula: C27 H36 Cr N3
• SMILES: [Cr]123([N](c4c(C1)cccc4)(C)C)([N](c1c(C2)cccc1)(C)C)[N](c1c(C3)cccc1)(C)C
• 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: 7.0261 ± 0.0003 Å
• b: 28.8953 ± 0.0011 Å
• c: 11.939 ± 0.0005 Å
• α: 90°
• β: 100.211 ± 0.002°
• γ: 90°
• Cell volume: 2385.48 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0348
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No