Information card for entry 7130759

Structure parameters

• Formula: C29 H25 Cu N4
• Calculated formula: C29 H25 Cu N4
• Title of publication: Heteroleptic copper(i) charge-transfer chromophores with panchromatic absorption
• Authors of publication: Kim, Dooyoung; Gray, Thomas G.; Teets, Thomas S.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 11.999 ± 0.003 Å
• b: 16.823 ± 0.005 Å
• c: 12.04 ± 0.003 Å
• α: 90°
• β: 97.099 ± 0.004°
• γ: 90°
• Cell volume: 2411.8 ± 1.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0395
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No