Information card for entry 4101326

Structure parameters

• Formula: C16 H30 Al3 Cl12 Cr N S2
• Calculated formula: C16 H30 Al3 Cl12 Cr N S2
• Title of publication: Role of the metal oxidation state in the SNS-Cr catalyst for ethylene trimerization: isolation of di- and trivalent cationic intermediates.
• Authors of publication: Jabri, Amir; Temple, Claire; Crewdson, Patrick; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 28
• Pages of publication: 9238 - 9247
• a: 9.467 ± 0.005 Å
• b: 11.999 ± 0.007 Å
• c: 17.895 ± 0.01 Å
• α: 83.573 ± 0.01°
• β: 81.026 ± 0.01°
• γ: 67.885 ± 0.009°
• Cell volume: 1857.1 ± 1.8 ų
• Cell temperature: 207 ± 2 K
• Ambient diffraction temperature: 207 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1278
• Residual factor for significantly intense reflections: 0.0969
• Weighted residual factors for significantly intense reflections: 0.2271
• Weighted residual factors for all reflections included in the refinement: 0.2477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No