Information card for entry 4125001

Structure parameters

• Common name: pjs256
• Formula: C50 H78 N2 O6 P4 Pt2
• Calculated formula: C50 H78 N2 O6 P4 Pt2
• Title of publication: Light-Emitting Superstructures with Anion Effect: Coordination-Driven Self-Assembly of Pure Tetraphenylethylene Metallacycles and Metallacages.
• Authors of publication: Yan, Xuzhou; Wang, Ming; Cook, Timothy R.; Zhang, Mingming; Saha, Manik Lal; Zhou, Zhixuan; Li, Xiaopeng; Huang, Feihe; Stang, Peter J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 13
• Pages of publication: 4580 - 4588
• a: 24.1826 ± 0.0009 Å
• b: 24.3191 ± 0.0009 Å
• c: 29.0112 ± 0.001 Å
• α: 83.595 ± 0.002°
• β: 83.303 ± 0.002°
• γ: 85.177 ± 0.002°
• Cell volume: 16795.6 ± 1.1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No