Information card for entry 4516619

Structure parameters

• Formula: C38 H30 B2 F8 Fe N6 O2 S2
• Calculated formula: C38 H30 B2 F8 Fe N6 O2 S2
• Title of publication: A Thiophene-Containing Conductive Metallopolymer Using an Fe(II) Bis(terpyridine) Core for Electrochromic Materials.
• Authors of publication: Liang, Yawei; Strohecker, Daniel; Lynch, Vincent; Holliday, Bradley J.; Jones, Richard A.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2016
• Journal volume: 8
• Journal issue: 50
• Pages of publication: 34568 - 34580
• a: 10.0749 ± 0.0005 Å
• b: 31.8249 ± 0.0016 Å
• c: 11.4229 ± 0.0009 Å
• α: 90°
• β: 92.371 ± 0.002°
• γ: 90°
• Cell volume: 3659.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No