Information card for entry 1576544

Structure parameters

• Formula: C12 H10 F6 Fe N O4 S2
• Calculated formula: C12 H10 F6 Fe N O4 S2
• Title of publication: Metallocenium salts as tunable dopants for enhanced efficiency of perovskite solar cells
• Authors of publication: Webb, Thomas; Vanin, Francesco; Gao, Danpeng; Zhu, Lei; Tremlett, William D. J.; Azaden, Amanz; Rodgers, Alice; Jacoutot, Polina; White, Andrew J. P.; Islam, M. Saiful; Long, Nicholas J.; Zhu, Zonglong; Haque, Saif A.
• Journal of publication: Energy & Environmental Science
• Year of publication: 2026
• Journal volume: 19
• Journal issue: 2
• Pages of publication: 605 - 618
• a: 16.3394 ± 0.0005 Å
• b: 14.4078 ± 0.0003 Å
• c: 16.6288 ± 0.0006 Å
• α: 90°
• β: 119.316 ± 0.004°
• γ: 90°
• Cell volume: 3413.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No