Information card for entry 7135584

Structure parameters

• Formula: C21 H34 Co F5 N4 Na O8 S
• Calculated formula: C21 H33.986 Co F5 N4 Na O8 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: 10.1113 ± 0.0004 Å
• b: 11.8024 ± 0.0005 Å
• c: 13.7663 ± 0.0005 Å
• α: 64.957 ± 0.004°
• β: 69.304 ± 0.004°
• γ: 75.254 ± 0.003°
• Cell volume: 1381.63 ± 0.11 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No