Information card for entry 7715524

Structure parameters

• Formula: C30 H96 F18 Mn3 N6 O36 P6
• Calculated formula: C30 H96 F18 Mn3 N6 O36 P6
• Title of publication: Transition Metal Complexes of the (2,2,2-Trifluoroethyl)phosphinate NOTA Analogue as Potential Contrast Agents for 19F Magnetic Resonance Imaging
• Authors of publication: Koucký, Filip; Dobrovolná, Tereza; Kotek, Jan; Cisarova, Ivana; Havlickova, Jana; Liška, Alan; Kubicek, Vojtech; Hermann, Petr
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 17.3178 ± 0.0003 Å
• b: 17.3178 ± 0.0003 Å
• c: 21.865 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5678.9 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No