Information card for entry 4003123

Structure parameters

• Formula: C47 H32 Cl2 F12 Hg3 O2
• Calculated formula: C47 H32 Cl2 F12 Hg3 O2
• Title of publication: Interaction of a Poly(phenylene vinylene) with an Organometallic Lewis Acid Additive: Fundamentals and Application in Polymer Solar Cells
• Authors of publication: Wang, Jiliang; Price, Randi S.; Leem, Gyu; Jiang, Junlin; Abboud, Khalil A.; Schanze, Kirk S.
• Journal of publication: Chemistry of Materials
• Year of publication: 2018
• Journal volume: 30
• Journal issue: 17
• Pages of publication: 5968
• a: 11.3599 ± 0.0007 Å
• b: 12.3868 ± 0.0008 Å
• c: 16.3945 ± 0.001 Å
• α: 80.4131 ± 0.0011°
• β: 76.937 ± 0.0011°
• γ: 76.3263 ± 0.0011°
• Cell volume: 2167.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0198
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections included in the refinement: 0.045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No