Information card for entry 7715535

Structure parameters

• Formula: C30.75 H91.5 Co3 F18 N6 O33 P6
• Calculated formula: C30.75 H91.5 Co3 F18 N6 O33 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: 34.3841 ± 0.0008 Å
• b: 34.3841 ± 0.0008 Å
• c: 40.961 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 41939 ± 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: 0.0601
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No