Information card for entry 1546309

Structure parameters

• Formula: C59 H64 Cl0 Cu N2 O2 S6
• Calculated formula: C59 H64 Cu N2 O2 S6
• 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: 29.325 ± 0.016 Å
• b: 20.484 ± 0.011 Å
• c: 9.653 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5798 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1139
• Residual factor for significantly intense reflections: 0.1134
• Weighted residual factors for significantly intense reflections: 0.326
• Weighted residual factors for all reflections included in the refinement: 0.3267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.365
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No