Information card for entry 7230487

Structure parameters

• Formula: C20 H14 Fe O2 S2
• Calculated formula: C20 H14 Fe O2 S2
• Title of publication: Ferrocene-functionalized polyheteroacenes for the use as cathode active material in rechargeable batteries
• Authors of publication: Schwartz, Pierre-Olivier; Förtsch, Sebastian; Mena-Osteritz, Elena; Weirather-Köstner, Dagmar; Wachtler, Mario; Bäuerle, Peter
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 26
• Pages of publication: 14193
• a: 5.86412 ± 0.0001 Å
• b: 10.14207 ± 0.00016 Å
• c: 27.2115 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1618.39 ± 0.04 ų
• Cell temperature: 149.95 ± 0.1 K
• Ambient diffraction temperature: 149.95 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No