Information card for entry 7713027

Structure parameters

• Common name: FeSS, [Fe(tpySS)2](PF6)2
• Chemical name: Iron(II)-bis(4?-(methyldisulfide)-2,2?:6?,2??-terpyridine)
• Formula: C34 H29 F12 Fe N7 P2 S4
• Calculated formula: C34 H29 F12 Fe N7 P2 S4
• Title of publication: Methyldisulfide groups enable the direct connection of air-stable metal bis(terpyridine) complexes to gold surfaces
• Authors of publication: Trang, Christina D. M.; Saal, Thomas; Inkpen , Michael Stephen
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 8.7953 ± 0.0002 Å
• b: 33.8428 ± 0.0008 Å
• c: 14.0963 ± 0.0003 Å
• α: 90°
• β: 92.314 ± 0.002°
• γ: 90°
• Cell volume: 4192.45 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No