Information card for entry 7063512

Structure parameters

• Formula: C73 H98 Cl2 Ni2 O8 P4
• Calculated formula: C73 H98 Cl2 Ni2 O8 P4
• 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: 8.0438 ± 0.0002 Å
• b: 28.5592 ± 0.001 Å
• c: 16.4261 ± 0.0005 Å
• α: 90°
• β: 102.766 ± 0.001°
• γ: 90°
• Cell volume: 3680.2 ± 0.19 ų
• Cell temperature: 199 ± 2 K
• Ambient diffraction temperature: 199 ± 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: 0.0768
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No