Information card for entry 4085625

Structure parameters

• Formula: C37 H48 Cl Cr N2 O4
• Calculated formula: C37 H48 Cl Cr N2 O4
• SMILES: [Cr]1(Cl)(n2cccc2C(c2n1ccc2)(c1ccccc1)c1ccccc1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1
• Title of publication: Effect of Cocatalysts and Solvent on Selective Ethylene Oligomerization
• Authors of publication: Vadake Kulangara, Shaneesh; Haveman, Daniel; Vidjayacoumar, Bala; Korobkov, Ilia; Gambarotta, Sandro; Duchateau, Rob
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1203
• a: 9.811 ± 0.002 Å
• b: 13.517 ± 0.003 Å
• c: 13.571 ± 0.003 Å
• α: 100.376 ± 0.011°
• β: 101.627 ± 0.012°
• γ: 98.989 ± 0.011°
• Cell volume: 1699 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.049
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No