Information card for entry 7235971

Structure parameters

• Formula: C13 H14 Cl N3 Ni
• Calculated formula: C13 H14 Cl N3 Ni
• Title of publication: Ni(ii) complexes bearing pyrrolide-imine ligands with pendant N-, O- and S-donor groups: synthesis, structural characterization and use in ethylene oligomerization
• Authors of publication: Pinheiro, A. C.; Virgili, A. H.; Roisnel, T.; Kirillov, E.; Carpentier, J.-F.; Casagrande, O. L.
• Journal of publication: RSC Advances
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 111
• Pages of publication: 91524
• a: 7.8815 ± 0.0002 Å
• b: 18.8766 ± 0.0005 Å
• c: 8.5933 ± 0.0002 Å
• α: 90°
• β: 95.499 ± 0.001°
• γ: 90°
• Cell volume: 1272.59 ± 0.06 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: 0.0305
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No