Information card for entry 7135583

Structure parameters

• Formula: C18 H25 Co F5 N4 O6 S
• Calculated formula: C18 H25 Co F5 N4 O6 S
• Title of publication: A responsive Co(II) ¹⁹F PARAShift probe: activation of Fermi contact interactions triggered by pH-dependent coordination changes.
• Authors of publication: Scott, Kathleen M.; Kadakia, Rahul T.; Hastings, Christopher D.; Barone, Georgia E. F.; Reyna, Jackson A.; Xiong, Jin; Guo, Yisong; Que, Emily L.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 25
• Pages of publication: 6741 - 6745
• a: 6.7293 ± 0.0012 Å
• b: 21.385 ± 0.003 Å
• c: 17.178 ± 0.003 Å
• α: 90°
• β: 99.13 ± 0.007°
• γ: 90°
• Cell volume: 2440.7 ± 0.7 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No