Information card for entry 7063510

Structure parameters

• Formula: C32 H41 Cl3 Ni O4 P2
• Calculated formula: C32 H41 Cl3 Ni O4 P2
• Title of publication: Naphthyl and Biphenyl para-substituted POCOP-Ni(II) Pincer Complexes as Efficient Catalysts in C-S Cross-Coupling Reactions
• Authors of publication: López-Robledo, Luis E; Ortiz-Fuentes, Evelin E; Rufino-Felipe, Ernesto; Serrano-García, Juan Sebastián; Arenaza-Corona, Antonino; Hernandez Ortega, Simon; Valdes, Hugo; Lucero, González-Sebastián; Reyes-Marquez, Viviana; Morales-Morales, David
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 27.1448 ± 0.0013 Å
• b: 9.4225 ± 0.0004 Å
• c: 27.3977 ± 0.0012 Å
• α: 90°
• β: 92.154 ± 0.002°
• γ: 90°
• Cell volume: 7002.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0701
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No