Information card for entry 8000426

Structure parameters

• Formula: C51 H48 Cu6 N18 O3
• Calculated formula: C51 H48 Cu6 N18 O3
• 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: 7.1324 ± 0.0001 Å
• b: 18.7836 ± 0.0002 Å
• c: 18.9897 ± 0.0002 Å
• α: 89.437 ± 0.001°
• β: 79.51 ± 0.001°
• γ: 88.405 ± 0.001°
• Cell volume: 2500.57 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No