Information card for entry 4086832

Structure parameters

• Formula: C31 H39 Cl3 Cr N7 O2
• Calculated formula: C31 H39 Cl3 Cr N7 O2
• SMILES: [Cr]12(Cl)(Cl)([n]3c4ccccc4[nH]c3C[N]1(Cc1[nH]c3ccccc3[n]21)CCCc1ccccc1)[O]=CN(C)C.[Cl-].O=CN(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: 13.9192 ± 0.0015 Å
• b: 9.5481 ± 0.0009 Å
• c: 26.26 ± 0.003 Å
• α: 90°
• β: 100.854 ± 0.009°
• γ: 90°
• Cell volume: 3427.6 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.1243
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.1976
• Weighted residual factors for all reflections included in the refinement: 0.2152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 1.54248 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No