Information card for entry 7049844

Structure parameters

• Formula: C15 H29 F3 Fe N3 O2
• Calculated formula: C15 H29 F3 Fe N3 O2
• Title of publication: Exploring transition metal fluoride chelates - synthesis, properties and prospects towards potential PET probes.
• Authors of publication: Blower, Philip J.; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Mules, Thomas O.; Reid, Gillian; Subhan, M. Nadeem
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 20
• Pages of publication: 6767 - 6776
• a: 9.5216 ± 0.0003 Å
• b: 12.4903 ± 0.0004 Å
• c: 29.8518 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3550.2 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No