Information card for entry 7022582

Structure parameters

• Formula: C41 H61 Cr N2 O
• Calculated formula: C41 H61 Cr N2 O
• SMILES: [Cr]12([N](c3c(cccc3C(C)C)C(C)C)=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)([O]1CCCC1)C(=C(C(=C2C)C)C)C
• Title of publication: A well-defined model system for the chromium-catalyzed selective oligomerization of ethylene.
• Authors of publication: Monillas, Wesley H.; Young, John F.; Yap, Glenn P. A.; Theopold, Klaus H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 25
• Pages of publication: 9198 - 9210
• a: 8.924 ± 0.003 Å
• b: 11.555 ± 0.004 Å
• c: 19.287 ± 0.007 Å
• α: 106.796 ± 0.006°
• β: 96.988 ± 0.006°
• γ: 100.378 ± 0.007°
• Cell volume: 1840.7 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No