Information card for entry 1576085

Structure parameters

• Formula: C34 H27 Cu N2 O
• Calculated formula: C34 H27 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: 9.466 ± 0.003 Å
• b: 11.606 ± 0.003 Å
• c: 13.062 ± 0.004 Å
• α: 93.187 ± 0.003°
• β: 92.645 ± 0.003°
• γ: 110.455 ± 0.002°
• Cell volume: 1339.2 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No