Information card for entry 7130761

Structure parameters

• Formula: C29 H37 Cu N4
• Calculated formula: C29 H37 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: 9.3017 ± 0.0014 Å
• b: 11.4634 ± 0.0017 Å
• c: 24.99 ± 0.004 Å
• α: 81.683 ± 0.002°
• β: 87.757 ± 0.002°
• γ: 79.001 ± 0.002°
• Cell volume: 2588 ± 0.7 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: 0.0551
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No