Information card for entry 1576086

Structure parameters

• Formula: C27 H29 Cu N2 O
• Calculated formula: C27 H29 Cu 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: 12.6043 ± 0.0009 Å
• b: 18.9057 ± 0.0012 Å
• c: 19.293 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4597.4 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No