Information card for entry 4516622

Structure parameters

• Formula: C42 H30 B2 F8 Fe N6 O4 S2
• Calculated formula: C42 H30 B2 F8 Fe N6 O4 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: 9.996 ± 0.003 Å
• b: 11.782 ± 0.004 Å
• c: 20.15 ± 0.008 Å
• α: 77.689 ± 0.01°
• β: 84.902 ± 0.013°
• γ: 66.803 ± 0.008°
• Cell volume: 2131.1 ± 1.3 ų
• Cell temperature: 106 ± 2 K
• Ambient diffraction temperature: 106 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2171
• Residual factor for significantly intense reflections: 0.1096
• Weighted residual factors for significantly intense reflections: 0.2225
• Weighted residual factors for all reflections included in the refinement: 0.2513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No