Information card for entry 1576081

Structure parameters

• Formula: C23 H21 Cu N2 O
• Calculated formula: C23 H21 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
• a: 10.261 ± 0.004 Å
• b: 26.202 ± 0.009 Å
• c: 7.141 ± 0.002 Å
• α: 90°
• β: 90.436 ± 0.005°
• γ: 90°
• Cell volume: 1919.9 ± 1.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.035
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No