Information card for entry 1556883

Structure parameters

• Formula: C540 H360 B6 F144 P24 Pd12 S48
• Calculated formula: C540 H360 B6 F144 P24 Pd12 S48
• 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: 29.421 ± 0.004 Å
• b: 31.324 ± 0.005 Å
• c: 35.123 ± 0.005 Å
• α: 92.011 ± 0.003°
• β: 91.984 ± 0.003°
• γ: 99.304 ± 0.003°
• Cell volume: 31897 ± 8 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: 0.2699
• Residual factor for significantly intense reflections: 0.177
• Weighted residual factors for significantly intense reflections: 0.3523
• Weighted residual factors for all reflections included in the refinement: 0.3959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No