Information card for entry 4073552

Structure parameters

• Formula: C39 H59.5 Cl6 Cr2 N2.5 S4
• Calculated formula: C39 H59.5 Cl6 Cr2 N2.5 S4
• Title of publication: New Insight into the Role of the Metal Oxidation State in Controlling the Selectivity of the Cr-(SNS) Ethylene Trimerization Catalyst
• Authors of publication: Temple, Claire N.; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 18
• Pages of publication: 4598
• a: 22.081 ± 0.007 Å
• b: 9.809 ± 0.003 Å
• c: 22.623 ± 0.007 Å
• α: 90°
• β: 90.276 ± 0.004°
• γ: 90°
• Cell volume: 4900 ± 3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1921
• Weighted residual factors for all reflections included in the refinement: 0.2172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No