Information card for entry 4082005

Structure parameters

• Formula: C35 H35 Cl2 Cr N O P2
• Calculated formula: C35 H35 Cl2 Cr N O P2
• SMILES: [Cr]12(Cl)(Cl)[P](Cc3[n]2c(C[P]1(c1ccccc1)c1ccccc1)ccc3)(c1ccccc1)c1ccccc1.O1CCCC1
• Title of publication: Polymer-Free Ethylene Oligomerization Using a Pyridine-Based Pincer PNP-Type of Ligand
• Authors of publication: Alzamly, Ahmed; Gambarotta, Sandro; Korobkov, Ilia
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 23
• Pages of publication: 7204
• a: 9.8344 ± 0.0003 Å
• b: 14.4109 ± 0.0005 Å
• c: 23.1807 ± 0.0008 Å
• α: 90°
• β: 91.444 ± 0.001°
• γ: 90°
• Cell volume: 3284.18 ± 0.19 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.0607
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No