Information card for entry 7050781

Structure parameters

• Formula: C43 H36 Cl4 N2 Ni P2
• Calculated formula: C46 H36 Cl4 N2 Ni P2
• Title of publication: NiCl2(1,2-Diiminophosphorane) complexes: a new family of readily accessible and tuneable catalysts for oligomerisation of ethylene
• Authors of publication: Sauthier, Mathieu; Leca, François; Fernando de Souza, Roberto; Bernardo-Gusmão, Katia; Trevisan Queiroz, Luiz Fernando; Toupet, Loïc; Réau, Régis
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 5
• Pages of publication: 630
• a: 14.9254 ± 0.0002 Å
• b: 15.1776 ± 0.0002 Å
• c: 18.1566 ± 0.0003 Å
• α: 90°
• β: 92.4895 ± 0.0006°
• γ: 90°
• Cell volume: 4109.16 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No