Information card for entry 1576082

Structure parameters

• Formula: C24 H17 Cu F6 N2 O
• Calculated formula: C24 H17 Cu F6 N2 O
• Title of publication: Ligand substituents modulate excited-state lifetime and energy-transfer reactivity in Cu(i) photosensitizers supported by salicylaldimine and isocyanide ligands.
• Authors of publication: Chakraborty, Soumi; Agyekum, Kianna; Kim, Dooyoung; Teets, Thomas S.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 47
• Pages of publication: 22527 - 22535
• a: 9.201 ± 0.005 Å
• b: 14.371 ± 0.008 Å
• c: 17.738 ± 0.01 Å
• α: 84.919 ± 0.006°
• β: 89.323 ± 0.006°
• γ: 73.694 ± 0.006°
• Cell volume: 2242 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No