Information card for entry 1546312

Structure parameters

• Formula: C74 H62 Co2 N6 O6 S8
• Calculated formula: C74 H62 Co2 N6 O6 S8
• Title of publication: Effect of Conjugation Length and Metal-Backbone Interactions on Charge Transport Properties of Conducting Metallopolymers
• Authors of publication: Nguyen, Minh T.; Jones, Richard A.; Holliday, Bradley
• Journal of publication: Polym. Chem.
• Year of publication: 2017
• a: 8.936 ± 0.0018 Å
• b: 11.6472 ± 0.0025 Å
• c: 31.5458 ± 0.0069 Å
• α: 90°
• β: 93.75°
• γ: 90°
• Cell volume: 3276.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.226
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No