Information card for entry 7060668

Structure parameters

• Formula: C23 H36 F6 N Ni O2 P2 Sb
• Calculated formula: C23 H36 F6 N Ni O2 P2 Sb
• SMILES: [Sb](F)(F)(F)(F)([F-])F.[Ni]12([P](Oc3c2c(O[P]1(C(C)C)C(C)C)ccc3)(C(C)C)C(C)C)[n]1ccccc1
• 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: 8.6586 ± 0.0003 Å
• b: 26.4721 ± 0.0007 Å
• c: 14.4377 ± 0.0004 Å
• α: 90°
• β: 107.032 ± 0.002°
• γ: 90°
• Cell volume: 3164.14 ± 0.17 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No