Information card for entry 1518681

Structure parameters

• Chemical name: [(o-Cy2-PC6H4SO3B(C6F5)3)Ni(allyl)]
• Formula: C46 H39 B F15 Ni O3 P S
• Calculated formula: C46 H39 B F15 Ni O3 P S
• SMILES: [Ni]123([P](c4c(S(=[O][B](c5c(F)c(F)c(F)c(F)c5F)(c5c(F)c(c(F)c(c5F)F)F)c5c(F)c(F)c(F)c(F)c5F)(O1)=O)cccc4)(C1CCCCC1)C1CCCCC1)C[CH]3=[CH2]2.c1(ccccc1)C
• Title of publication: Norbornene homopolymerization and copolymerization with ethylene by phosphine-sulfonate nickel catalysts
• Authors of publication: Chen, Min; Zou, Wenping; Cai, Zhengguo; Chen, Changle
• Journal of publication: Polym. Chem.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 14
• Pages of publication: 2669
• a: 24.5629 ± 0.0003 Å
• b: 15.6599 ± 0.0002 Å
• c: 11.5597 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4446.47 ± 0.09 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 8
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No