Information card for entry 7226947

Structure parameters

• Formula: C31 H34 Br2 Cl2 N4 Ni Se2
• Calculated formula: C31 H34 Br2 Cl2 N4 Ni Se2
• SMILES: [Se]1([Ni]2(Br)(Br)([Se](Cn3[n]2c(C)cc3C)c2ccc(cc2)Cl)[n]2n(C1)c(cc2C)C)c1ccc(cc1)Cl.c1cc(C)ccc1
• Title of publication: A novel class of nickel(II) complexes containing selenium-based bidentate ligands applied in ethylene oligomerization
• Authors of publication: Dresch, Lucielle Codeim; de Araújo, Bruno Bercini; CASAGRANDE, OSVALDO DE LAZARO; Stieler, Rafael
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.9476 ± 0.0005 Å
• b: 13.7447 ± 0.001 Å
• c: 16.6566 ± 0.0013 Å
• α: 67.955 ± 0.003°
• β: 89.956 ± 0.003°
• γ: 83.98 ± 0.003°
• Cell volume: 1675.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No