Information card for entry 7713026

Structure parameters

• Common name: CoSS, [Co(tpySS)2](PF6)2
• Chemical name: Cobalt(II)-bis(4?-(methyldisulfide)-2,2?:6?,2??-terpyridine)
• Formula: C38 H35 Co F12 N9 P2 S4
• Calculated formula: C38 H35 Co F12 N9 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: 8.9247 ± 0.0003 Å
• b: 36.9029 ± 0.0012 Å
• c: 13.7769 ± 0.0005 Å
• α: 90°
• β: 93.753 ± 0.002°
• γ: 90°
• Cell volume: 4527.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1061
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.1886
• Weighted residual factors for all reflections included in the refinement: 0.1973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No