Information card for entry 7048521

Structure parameters

• Formula: C98 H82.05 Cl6 Cu3 N6
• Calculated formula: C98 H82.05 Cl6 Cu3 N6
• Title of publication: Luminescent cyclic trinuclear coinage metal complexes with aggregation-induced emission (AIE) performance.
• Authors of publication: Tian, Yuan; Wang, Zhao-Yang; Zang, Shuang-Quan; Li, Dan; Mak, Thomas C. W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 7
• Pages of publication: 2275 - 2279
• a: 9.61574 ± 0.00016 Å
• b: 52.1775 ± 0.0011 Å
• c: 17.2889 ± 0.0003 Å
• α: 90°
• β: 101.733 ± 0.0016°
• γ: 90°
• Cell volume: 8493 ± 0.3 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0867
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No