Information card for entry 7060667

Structure parameters

• Chemical name: POCN-Ni-py
• Formula: C22 H32 F6 N2 Ni O2 P Sb
• Calculated formula: C22 H32 F6 N2 Ni O2 P Sb
• 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: 12.2664 ± 0.0003 Å
• b: 13.2418 ± 0.0003 Å
• c: 17.527 ± 0.0005 Å
• α: 68.383 ± 0.001°
• β: 85.94 ± 0.001°
• γ: 87.02 ± 0.001°
• Cell volume: 2638.99 ± 0.12 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.041
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No