Information card for entry 4086828

Structure parameters

• Formula: C30 H37 Cr N5 O5.5
• Calculated formula: C30 H37 Cr N5 O5.5
• SMILES: [Cr]12([n]3c4ccccc4[nH]c3C[N]1(C)Cc1[nH]c3ccccc3[n]21)(C#[O])(C#[O])C#[O].O1CCCC1.O1CCCC1.O1CCCC1
• 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: 13.3961 ± 0.0018 Å
• b: 15.718 ± 0.002 Å
• c: 14.2278 ± 0.0019 Å
• α: 90°
• β: 91.5897 ± 0.0018°
• γ: 90°
• Cell volume: 2994.7 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1003
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No