Information card for entry 1576649

Structure parameters

• Formula: C54 H66 Cu N3
• Calculated formula: C54 H66 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
• Journal volume: 17
• Journal issue: 15
• Pages of publication: 7659 - 7666
• a: 11.455 ± 0.002 Å
• b: 11.955 ± 0.002 Å
• c: 21.253 ± 0.004 Å
• α: 79.082 ± 0.002°
• β: 89.214 ± 0.002°
• γ: 67.827 ± 0.002°
• Cell volume: 2641.1 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0525
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No