Information card for entry 7047907

Structure parameters

• Formula: C45 H41 N2 Ni P
• Calculated formula: C45 H41 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: 11.9364 ± 0.0003 Å
• b: 32.1736 ± 0.0009 Å
• c: 10.3382 ± 0.0003 Å
• α: 90°
• β: 108.603 ± 0.001°
• γ: 90°
• Cell volume: 3762.81 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0528
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No