Information card for entry 7713024

Structure parameters

• Common name: ZnSS, [Zn(tpySS)2](PF6)2
• Chemical name: Zinc(II)-bis(4?-(methyldisulfide)-2,2?:6?,2??-terpyridine)
• Formula: C32 H26 F12 N6 P2 S4 Zn
• Calculated formula: C32 H26 F12 N6 P2 S4 Zn
• 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: 9.0282 ± 0.0002 Å
• b: 9.5422 ± 0.0002 Å
• c: 43.8494 ± 0.0007 Å
• α: 90°
• β: 94.579 ± 0.002°
• γ: 90°
• Cell volume: 3765.52 ± 0.13 ų
• Cell temperature: 100 ± 0.11 K
• Ambient diffraction temperature: 100 ± 0.11 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1888
• Weighted residual factors for all reflections included in the refinement: 0.2032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No