Information card for entry 4510037

Structure parameters

• Formula: C22 H32 N Ni O3 P S
• Calculated formula: C22 H32 N Ni O3 P S
• SMILES: [Ni]1([N](=Cc2c(O1)c(ccc2)C(C)(C)C)c1ccccc1S(=O)(=O)C)([P](C)(C)C)C
• Title of publication: Ni(II) Phenoxyiminato Olefin Polymerization Catalysis: Striking Coordinative Modulation of Hyperbranched Polymer Microstructure and Stability by a Proximate Sulfonyl Group
• Authors of publication: Stephenson, Casey J.; McInnis, Jennifer P.; Chen, Changle; Weberski, Michael P.; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J.
• Journal of publication: ACS Catalysis
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 3
• Pages of publication: 999
• a: 10.1443 ± 0.0004 Å
• b: 10.6795 ± 0.0005 Å
• c: 11.1867 ± 0.0005 Å
• α: 89.583 ± 0.002°
• β: 69.987 ± 0.002°
• γ: 83.908 ± 0.002°
• Cell volume: 1131.76 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.98 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No