Information card for entry 7125727

Structure parameters

• Common name: Spiro(TFSI)2
• Chemical name: 2,2',7,7'-Tetrakis[N,N-di(4-methoxyphenyl)amino]-9,9'-spirobifluorene bis(trifluoromethanesulfonyl)imide
• Formula: C85 H68 F12 N6 O16 S4
• Calculated formula: C85 H68 F12 N6 O16 S4
• Title of publication: Single crystal structure and opto-electronic properties of oxidized Spiro-OMeTAD.
• Authors of publication: Zhang, Wei; Wang, Linqin; Guo, Yu; Zhang, Biaobiao; Leandri, Valentina; Xu, Bo; Li, Zhuofeng; Gardner, James M.; Sun, Licheng; Kloo, Lars
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 1589 - 1592
• a: 20.677 ± 0.004 Å
• b: 21.726 ± 0.004 Å
• c: 36.877 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16566 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.2277
• Weighted residual factors for all reflections included in the refinement: 0.2323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No