Information card for entry 8000424

Structure parameters

• Formula: C48 H36 Ag6 N18
• Calculated formula: C48 H36 Ag6 N18
• 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: 11.592 ± 0.0002 Å
• b: 8.3296 ± 0.0001 Å
• c: 25.2621 ± 0.0004 Å
• α: 90°
• β: 102.944 ± 0.002°
• γ: 90°
• Cell volume: 2377.24 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0307
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No