Information card for entry 8000423

Structure parameters

• Formula: C96 H73 Cu12 N36
• Calculated formula: C96 H73 Cu12 N36
• Title of publication: Revealing High-Lying Inter-System Crossing in Brightly Luminescent Cyclic Trinuclear Cu^I/Ag^I Complexes.
• Authors of publication: Xing, Li-Rui; Lu, Zhou; Li, Mian; Zheng, Ji; Li, Dan
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2020
• Pages of publication: 2067
• a: 25.6853 ± 0.0011 Å
• b: 10.4956 ± 0.0003 Å
• c: 35.037 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9445.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1347
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No