Information card for entry 4507136

Structure parameters

• Common name: 08212z
• Formula: C31 H31 Cl3 Cr N4 P
• Calculated formula: C31 H31 Cl3 Cr N4 P
• SMILES: [Cr]1([P](c2ccccc2)(c2ccccc2)NC(c2ccccc2)=[N]1c1c(cccc1C)C)(Cl)(Cl)(Cl)[N]#CC.N#CC
• Title of publication: Selective Ethylene Tri-/Tetramerization Catalysts
• Authors of publication: Sydora, Orson L.; Jones, Thomas C.; Small, Brooke L.; Nett, Alex J.; Fischer, Anne A.; Carney, Michael J.
• Journal of publication: ACS Catalysis
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 12
• Pages of publication: 2452
• a: 11.2332 ± 0.0009 Å
• b: 16.7375 ± 0.0014 Å
• c: 33.095 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6222.4 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No