Information card for entry 4516620

Structure parameters

• Formula: C46 H30 B2 F8 Fe N6 S4
• Calculated formula: C46 H30 B2 F8 Fe N6 S4
• SMILES: c1cccc2c3cc(cc4c5cccc[n]5[Fe]56([n]12)([n]34)[n]1ccccc1c1cc(cc(c2cccc[n]62)[n]51)c1ccc(c2cccs2)s1)c1ccc(c2cccs2)s1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• 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: 12.548 ± 0.0018 Å
• b: 13.6595 ± 0.0018 Å
• c: 14.447 ± 0.002 Å
• α: 91.688 ± 0.004°
• β: 93.376 ± 0.004°
• γ: 114.922 ± 0.004°
• Cell volume: 2237.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1451
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1665
• Weighted residual factors for all reflections included in the refinement: 0.1967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No