Information card for entry 7704518

Structure parameters

• Formula: C286 H398 N54 O54 Pd2
• Calculated formula: C166 H118 N14 O14 Pd2
• 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: 15.7174 ± 0.0006 Å
• b: 18.1192 ± 0.0006 Å
• c: 18.6203 ± 0.0007 Å
• α: 97.658 ± 0.001°
• β: 95.1 ± 0.001°
• γ: 110.333 ± 0.001°
• Cell volume: 4875.6 ± 0.3 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: 0.0497
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No