Information card for entry 7123171

Structure parameters

• Formula: C9 H6 Cl3 Cu3 N6
• Calculated formula: C9 H6 Cl3 Cu3 N6
• Title of publication: A Chemopalette Strategy for White Light by Modulating Monomeric and Excimeric Phosphorescence of a Simple Cu(I) Cyclic Trinuclear Unit
• Authors of publication: Li, Dan; Yang, Hu; Zheng, Ji; Peng, Su-Kao; Zhu, Xiao-Wei; Wan, Meng-Yan; Lu, Weigang
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 17.3175 ± 0.0005 Å
• b: 8.5617 ± 0.0003 Å
• c: 18.9646 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2811.83 ± 0.16 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No