Information card for entry 7047902

Structure parameters

• Formula: C56 H63 N2 Ni P
• Calculated formula: C56 H63 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: 10.1181 ± 0.0008 Å
• b: 13.5337 ± 0.0009 Å
• c: 19.3762 ± 0.0016 Å
• α: 108.714 ± 0.003°
• β: 94.968 ± 0.003°
• γ: 106.611 ± 0.003°
• Cell volume: 2361.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No