Information card for entry 7704519

Structure parameters

• Formula: C40 H26 N2
• Calculated formula: C40 H26 N2
• Title of publication: A tetraphenylethene-based Pd₂L₄ metallacage with aggregation-induced emission and stimuli-responsive behavior.
• Authors of publication: Li, Chenyang; Zhang, Beilin; Dong, Yunhong; Li, Yawen; Wang, Pinpin; Yu, Yang; Cheng, Lin; Cao, Liping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 24
• Pages of publication: 8051 - 8055
• a: 17.1299 ± 0.0008 Å
• b: 10.2595 ± 0.0004 Å
• c: 17.7663 ± 0.0011 Å
• α: 90°
• β: 113.637 ± 0.001°
• γ: 90°
• Cell volume: 2860.4 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No