Information card for entry 4101329

Structure parameters

• Formula: C16 H30 Cl Cr N S2
• Calculated formula: C16 H30 Cl 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: 8.019 ± 0.003 Å
• b: 8.794 ± 0.004 Å
• c: 14.224 ± 0.006 Å
• α: 79.18 ± 0.03°
• β: 78.75 ± 0.06°
• γ: 85.58 ± 0.04°
• Cell volume: 965.5 ± 0.7 ų
• Cell temperature: 209 ± 2 K
• Ambient diffraction temperature: 209 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No