Information card for entry 1556876

Structure parameters

• Formula: C26 H42 N2 S8 Sn2
• Calculated formula: C26 H42 N2 S8 Sn2
• SMILES: C1(SC2=C(S1)S[Sn](CCCC)(CCCC)S2)=C1SC2=C(S1)S[Sn](CCCC)(CCCC)S2.N#CC.N#CC
• Title of publication: Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds
• Authors of publication: Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 1066 - 1078
• a: 7.7711 ± 0.0003 Å
• b: 10.3961 ± 0.0004 Å
• c: 12.6341 ± 0.0005 Å
• α: 113.062 ± 0.002°
• β: 96.284 ± 0.002°
• γ: 98.114 ± 0.002°
• Cell volume: 914.39 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No