Information card for entry 7060664

Structure parameters

• Formula: C27.69 H36.38 Cl1.38 F6 N3 Ni O2 P Sb
• Calculated formula: C27.69 H36.38 Cl1.38 F6 N3 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: 14.5548 ± 0.0007 Å
• b: 15.2342 ± 0.0007 Å
• c: 14.8051 ± 0.0008 Å
• α: 90°
• β: 95.07 ± 0.003°
• γ: 90°
• Cell volume: 3269.9 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• 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: 0.0877
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.1873
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No