Information card for entry 7719304

Structure parameters

• Formula: C22 H36 B2 Co F6 N6 O2
• Calculated formula: C22 H36 B2 Co F6 N6 O2
• 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: 17.1182 ± 0.0009 Å
• b: 9.0791 ± 0.0005 Å
• c: 16.9809 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2639.1 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No