Information card for entry 1576651

Structure parameters

• Formula: C48 H54 Cu N3
• Calculated formula: C48 H54 Cu N3
• Title of publication: Steric augmentation of three-coordinate Cu(i) β-diketiminate isocyanide chromophores to achieve microsecond excited-state lifetime
• Authors of publication: Kumar, Ashish; Kim, Dooyoung; Dunphy, Sean P.; Lewis, Erin N.; Figueroa, Joshua S.; Teets, Thomas S.
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 12.0288 ± 0.0009 Å
• b: 12.5853 ± 0.0009 Å
• c: 16.2705 ± 0.0012 Å
• α: 74.8 ± 0.003°
• β: 72.478 ± 0.003°
• γ: 63.532 ± 0.003°
• Cell volume: 2078.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No