Information card for entry 4510035

Structure parameters

• Formula: C28 H36 N Ni O P
• Calculated formula: C28 H36 N Ni O P
• SMILES: [Ni]1(Oc2c(cccc2C=[N]1c1ccccc1Cc1ccccc1)C(C)(C)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: 10.6892 ± 0.0003 Å
• b: 27.0455 ± 0.0008 Å
• c: 9.0785 ± 0.0003 Å
• α: 90°
• β: 108.475 ± 0.001°
• γ: 90°
• Cell volume: 2489.28 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.97 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: 0.0305
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No