Information card for entry 1556881

Structure parameters

• Formula: C102 H92 B2 F48 O4 S8 Sn2
• Calculated formula: C102 H92 B2 F48 O4 S8 Sn2
• 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: 12.9111 ± 0.0017 Å
• b: 15.863 ± 0.002 Å
• c: 16.368 ± 0.002 Å
• α: 88.537 ± 0.003°
• β: 88.979 ± 0.003°
• γ: 69.195 ± 0.003°
• Cell volume: 3132.6 ± 0.7 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: 0.1437
• Residual factor for significantly intense reflections: 0.0977
• Weighted residual factors for significantly intense reflections: 0.2003
• Weighted residual factors for all reflections included in the refinement: 0.2241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No