Information card for entry 4086830

Structure parameters

• Formula: C16 H27 Cl3 Cr N5
• Calculated formula: C16 H27 Cl3 Cr N5
• SMILES: [Cr]12(Cl)(Cl)(Cl)[n]3c(cc(n3C[N]1(Cn1c(cc([n]21)C)C)CCCC)C)C
• Title of publication: Alternating α-Olefin Distributions via Single and Double Insertions in Chromium-Catalyzed Ethylene Oligomerization
• Authors of publication: Tomov, Atanas K.; Nobbs, James D.; Chirinos, Juan J.; Saini, Prabhjot K.; Malinowski, Robert; Ho, Sarah K. Y.; Young, Craig T.; McGuinness, David S.; White, Andrew J. P.; Elsegood, Mark R. J.; Britovsek, George J. P.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 36
• Journal issue: 3
• Pages of publication: 510
• a: 8.6125 ± 0.0003 Å
• b: 10.0746 ± 0.0004 Å
• c: 23.943 ± 0.0009 Å
• α: 90°
• β: 97.011 ± 0.003°
• γ: 90°
• Cell volume: 2061.94 ± 0.13 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• 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: 0.0963
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No