Information card for entry 7042626

Structure parameters

• Chemical name: complex of tris(2-pyridyl)phosphine with nickel hexafluoroacetylacetonate
• Formula: C25 H16 F12 N3 Ni O6 P
• Calculated formula: C25 H16 F12 N3 Ni O6 P
• Title of publication: Variable coordination of tris(2-pyridyl)phosphine and its oxide toward M(hfac)2: a metal-specifiable switching between the formation of mono- and bis-scorpionate complexes
• Authors of publication: Artem'ev, Alexander; Kashevskii, Alexey; Bogomyakov, Artem Stepanovich; Safronov, Alexander; Sutyrina, Anastasiya Sutyrina; Telezhkin, Anton; Sterkhova, Irina
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.833 ± 0.0008 Å
• b: 15.6509 ± 0.0015 Å
• c: 21.6876 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2998.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No