Information card for entry 7047904

Structure parameters

• Formula: C41 H28 F5 N2 Ni P
• Calculated formula: C41 H28 F5 N2 Ni P
• Title of publication: New phenyl‒nickel complexes of bulky 2-iminopyrrolyl chelates: synthesis, characterisation and application as aluminium-free catalysts for the production of hyperbranched polyethylene
• Authors of publication: Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Gomes, Joselaine C. S.; Lemos, Francisco; Gomes, Pedro T.
• Journal of publication: Dalton Transactions
• Year of publication: 2018
• a: 13.1214 ± 0.0007 Å
• b: 8.8622 ± 0.0004 Å
• c: 31.0382 ± 0.0015 Å
• α: 90°
• β: 101.361 ± 0.002°
• γ: 90°
• Cell volume: 3538.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0863
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No