Information card for entry 7042628

Structure parameters

• Formula: C25 H16 Co F12 N3 O6 P
• Calculated formula: C25 H16 Co F12 N3 O6 P
• SMILES: [Co]123([O]=C(C=C(O1)C(F)(F)F)C(F)(F)F)([OH2])[n]1ccccc1P(=O)(c1[n]2cccc1)c1cccc[n]31.FC(F)(F)C(=O)C=C([O-])C(F)(F)F
• 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: 8.7336 ± 0.0007 Å
• b: 15.7594 ± 0.0012 Å
• c: 11.7574 ± 0.0009 Å
• α: 90°
• β: 111.126 ± 0.003°
• γ: 90°
• Cell volume: 1509.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No