Information card for entry 4065019

Structure parameters

• Formula: C46 H106 Al4 Cl8 Cr2 N2 S4 Si4
• Calculated formula: C46 H106 Al4 Cl8 Cr2 N2 S4 Si4
• SMILES: C1[S]([Cr]23([N](C)([Si]1(C)C)[Si](C[S]2C1CCCCC1)(C)C)[Cl][Cr]12([N](C)([Si](C[S]1C1CCCCC1)(C)C)[Si](C[S]2C1CCCCC1)(C)C)[Cl]3)C1CCCCC1.[Al](C)(C)(Cl)[Cl][Al](C)(C)Cl.[Al](C)(C)(Cl)[Cl][Al](C)(C)Cl
• Title of publication: Ethylene Oligomerization Promoted by a Silylated-SNS Chromium System
• Authors of publication: Albahily, Khalid; Gambarotta, Sandro; Duchateau, Robbert
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 17
• Pages of publication: 4655
• a: 12.877 ± 0.004 Å
• b: 15.896 ± 0.004 Å
• c: 19.071 ± 0.005 Å
• α: 90°
• β: 92.071 ± 0.005°
• γ: 90°
• Cell volume: 3901.1 ± 1.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.146
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.2052
• Weighted residual factors for all reflections included in the refinement: 0.263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No