Information card for entry 4110162

Structure parameters

• Formula: C41 H50 Br2 N2 O S6
• Calculated formula: C41 H46 Br2 N2 O S6
• Title of publication: Tuning the Absorption, Charge Transport Properties, and Solar Cell Efficiency with the Number of Thienyl Rings in Platinum-Containing Poly(aryleneethynylene)s
• Authors of publication: Wai-Yeung Wong; Xing-Zhu Wang; Ze He; Kwok-Kwan Chan; Aleksandra B. Djurišić; Kai-Yin Cheung; Cho-Tung Yip; Alan Man-Ching Ng; Yan Yan Xi; Chris S. K. Mak; Wai-Kin Chan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 14372 - 14380
• a: 14.6527 ± 0.0014 Å
• b: 4.1102 ± 0.0004 Å
• c: 37.163 ± 0.004 Å
• α: 90°
• β: 92.642 ± 0.002°
• γ: 90°
• Cell volume: 2235.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No