Information card for entry 7719303

Structure parameters

• Formula: C22 H32 B2 F6 N6 Ni
• Calculated formula: C22 H32 B2 F6 N6 Ni
• Title of publication: Trifluoroborate-appended cyclen complexes of paramagnetic transition metals (Ni²⁺, Co²⁺) as fast-relaxing ¹⁹F MRI probes.
• Authors of publication: Sire, Charline; Garello, Francesca; Lalaoui, Noémie; Saffon-Merceron, Nathalie; Le Poul, Nicolas; Tripier, Raphaël; Tei, Lorenzo; Troadec, Thibault
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 35
• Pages of publication: 13053 - 13056
• a: 14.1872 ± 0.0006 Å
• b: 14.1872 ± 0.0006 Å
• c: 23.9442 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4819.4 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No