Information card for entry 7060665

Structure parameters

• Chemical name: POCOP-Ni-phen
• Formula: C30 H39 F6 N2 Ni O2 P2 Sb
• Calculated formula: C30 H39 F6 N2 Ni O2 P2 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: 12.6698 ± 0.0006 Å
• b: 13.6736 ± 0.0006 Å
• c: 20.1046 ± 0.0009 Å
• α: 104.063 ± 0.002°
• β: 100.134 ± 0.002°
• γ: 90.206 ± 0.002°
• Cell volume: 3321.9 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No