Information card for entry 1546245

Structure parameters

• Formula: C34.25 H41.5 Al Cl4.75 N2 Ni
• Calculated formula: C34.25 H41.5 Al Cl4.75 N2 Ni
• Title of publication: Reactivity of cationic α-diimine cyclopentadienyl nickel complexes towards AlEt2Cl: Synthesis, characterisation and ethylene polymerisation
• Authors of publication: Gomes, Pedro T.; Gomes, Clara S. B.; Ribeiro, Alejandro F. G.; Fernandes, Anabela C.; Bento, Artur; do Rosário Ribeiro, Maria; Pascu, Sofia I.; Kociok-Kohn, Gabriele; Duarte, Maria Teresa Teresa
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2017
• a: 12.652 ± 0.0001 Å
• b: 23.843 ± 0.0001 Å
• c: 12.739 ± 0.0002 Å
• α: 90°
• β: 100.858 ± 0.001°
• γ: 90°
• Cell volume: 3774.07 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1657
• Weighted residual factors for all reflections included in the refinement: 0.1841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6771 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No