Information card for entry 4000955

Structure parameters

• Formula: C62 H76 N2 P4 Pt2 S7
• Calculated formula: C62 H76 N2 P4 Pt2 S7
• Title of publication: Solution-Processable Crystalline Platinum-Acetylide Oligomers with Broadband Absorption for Photovoltaic Cells
• Authors of publication: Zhao, Xiaoyong; Piliego, Claudia; Kim, BongSoo; Poulsen, Daniel A.; Ma, Biwu; Unruh, David A.; Fréchet, Jean M. J.
• Journal of publication: Chemistry of Materials
• Year of publication: 2010
• Journal volume: 22
• Journal issue: 7
• Pages of publication: 2325
• a: 14.1061 ± 0.0013 Å
• b: 15.1571 ± 0.0014 Å
• c: 15.5414 ± 0.0015 Å
• α: 97.079 ± 0.001°
• β: 96.718 ± 0.001°
• γ: 90.344 ± 0.001°
• Cell volume: 3274.2 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No