Information card for entry 7060666

Structure parameters

• Formula: C19 H30 F6 N2 Ni O2 P Sb
• Calculated formula: C19 H30 F6 N2 Ni O2 P Sb
• SMILES: [Sb](F)(F)(F)(F)([F-])F.[Ni]12([P](Oc3c2c(ccc3)C[N]21CCOCC2)(C(C)C)C(C)C)[N]#CC
• Title of publication: Cationic tetra- and pentacoordinate complexes of nickel based on POCN- and POCOP-type pincer ligands: synthesis, characterization, and ligand exchange studies
• Authors of publication: Rahimi, Naser; Zargarian, Davit
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 33
• Pages of publication: 15063 - 15073
• a: 17.1313 ± 0.0009 Å
• b: 8.0007 ± 0.0004 Å
• c: 17.8969 ± 0.0009 Å
• α: 90°
• β: 94.072 ± 0.002°
• γ: 90°
• Cell volume: 2446.8 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• 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: 0.0229
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No