Information card for entry 1576647

Structure parameters

• Formula: C36 H42 Cu N3
• Calculated formula: C36 H42 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: 10.745 ± 0.01 Å
• b: 23.32 ± 0.02 Å
• c: 13.062 ± 0.012 Å
• α: 90°
• β: 105.103 ± 0.01°
• γ: 90°
• Cell volume: 3160 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.165
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No