Information card for entry 4131486

Structure parameters

• Common name: WH
• Formula: C125 H138 Cl N4 P4 Pt2 S10
• Calculated formula: C125 H138.008 Cl N4 P4 Pt2 S10
• Title of publication: "Roller-Wheel"-Type Pt-Containing Small Molecules and the Impact of "Rollers" on Material Crystallinity, Electronic Properties, and Solar Cell Performance.
• Authors of publication: He, Wenhan; Livshits, Maksim Y.; Dickie, Diane A.; Zhang, Zhen; Mejiaortega, Luis E.; Rack, Jeffrey J.; Wu, Qin; Qin, Yang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 40
• Pages of publication: 14109 - 14119
• a: 11.6264 ± 0.0018 Å
• b: 16.274 ± 0.002 Å
• c: 17.868 ± 0.003 Å
• α: 64.226 ± 0.005°
• β: 82.203 ± 0.005°
• γ: 78.775 ± 0.005°
• Cell volume: 2981.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1785
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1724
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No