Information card for entry 7216976

Structure parameters

• Chemical name: 1,3-Bis(2',5'-dimethoxy-4'-methyl)propane dication-biradical bis(hexachloroantimonate)
• Formula: C21 H28 Cl12 O4 Sb2
• Calculated formula: C21 H28 Cl12 O4 Sb2
• SMILES: c1(cc(c(cc1CCCc1c(cc(c(c1)OC)C)OC)OC)C)OC.Cl[Sb](Cl)(Cl)(Cl)(Cl)[Cl-].[Cl-][Sb](Cl)(Cl)(Cl)(Cl)Cl
• Title of publication: Intramolecular (electron) delocalization between aromatic donors and their tethered cation‒radicals. Application of electrochemical and structural probes†
• Authors of publication: Sun, Duoli; Lindeman, Sergey V.; Rathore, Rajendra; Kochi, Jay K.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2001
• Journal issue: 9
• Pages of publication: 1585
• a: 8.073 ± 0.002 Å
• b: 26.577 ± 0.005 Å
• c: 8.445 ± 0.002 Å
• α: 90°
• β: 98.99 ± 0.03°
• γ: 90°
• Cell volume: 1789.7 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections: 0.1081
• Weighted residual factors for significantly intense reflections: 0.0928
• Goodness-of-fit parameter for all reflections: 1.152
• Goodness-of-fit parameter for significantly intense reflections: 1.258
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No