Information card for entry 4064651

Structure parameters

• Formula: C20 H22 Cl2 Cr N2 P
• Calculated formula: C20 H22 Cl2 Cr N2 P
• SMILES: [Cr]12(CC)([P](Cc3cccc[n]13)(Cc1cccc[n]21)c1ccccc1)(Cl)Cl
• Title of publication: Reactions between an Ethylene Oligomerization Chromium(III) Precatalyst and Aluminum-Based Activators: Alkyl and Cationic Complexes with a Tridentate NPN Ligand
• Authors of publication: Liu, Shaofeng; Pattacini, Roberto; Braunstein, Pierre
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 13
• Pages of publication: 3549
• a: 11.8957 ± 0.0007 Å
• b: 12.4712 ± 0.0009 Å
• c: 15.7046 ± 0.0008 Å
• α: 90°
• β: 120.514 ± 0.003°
• γ: 90°
• Cell volume: 2007.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No