Information card for entry 7717502

Structure parameters

• Formula: C43 H41 F12 N3 Ni O3 P2 S3
• Calculated formula: C43 H41 F12 N3 Ni O3 P2 S3
• Title of publication: Simple and easy functionalization of para–hydroxy POCOP–M (M=Ni(II), Pd(II)) pincer complexes: Synthesis of multimetallic species
• Authors of publication: Serrano-García, Juan Sebastián; Garcia Eleno , Marco Antonio; Arenaza-Corona, Antonino; Rufino-Felipe, Ernesto; Valdes, Hugo; Hernandez Ortega, Simon; Morales-Morales, David
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 15.954 ± 0.007 Å
• b: 18.038 ± 0.007 Å
• c: 18.358 ± 0.008 Å
• α: 106.251 ± 0.006°
• β: 109.017 ± 0.006°
• γ: 92.856 ± 0.006°
• Cell volume: 4737 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3453
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.1564
• Weighted residual factors for all reflections included in the refinement: 0.255
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No