Information card for entry 1556880

Structure parameters

• Formula: C90 H60 B F24 Ni2 P4 S8
• Calculated formula: C90 H60 B F24 Ni2 P4 S8
• SMILES: c1(ccccc1)[P]1(c2ccccc2)CC[P](c2ccccc2)([Ni]21SC1=C(S2)SC(=C2SC3=C(S2)S[Ni]2([P](c4ccccc4)(c4ccccc4)CC[P]2(c2ccccc2)c2ccccc2)S3)S1)c1ccccc1.FC(F)(c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(C(F)(F)F)cc(c1)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)F
• 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: 14.1624 ± 0.0015 Å
• b: 18.3974 ± 0.0019 Å
• c: 20.189 ± 0.002 Å
• α: 94.073 ± 0.002°
• β: 103.397 ± 0.002°
• γ: 106.515 ± 0.002°
• Cell volume: 4852.9 ± 0.9 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: 0.0416
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No