Information card for entry 1576083

Structure parameters

• Formula: C49 H57 Cu N2 O
• Calculated formula: C49 H57 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: 11.7921 ± 0.0009 Å
• b: 13.694 ± 0.0011 Å
• c: 26.008 ± 0.002 Å
• α: 90°
• β: 100.426 ± 0.004°
• γ: 90°
• Cell volume: 4130.5 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No