Information card for entry 7216981

Structure parameters

• Chemical name: 2,2''',5,5'''-tetramethoxy-4,4'''-dimethylquaterphenyl hexachloroantimonate
• Formula: C30 H30 Cl6 O4 Sb
• Calculated formula: C30 H30 Cl6 O4 Sb
• SMILES: [Sb](Cl)(Cl)(Cl)(Cl)([Cl-])Cl.O(c1c(c2ccc(cc2)c2ccc(cc2)c2c(OC)cc(c(OC)c2)C)cc(OC)c(c1)C)C
• 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: 7.2182 ± 0.0001 Å
• b: 16.6646 ± 0.0003 Å
• c: 13.4314 ± 0.0001 Å
• α: 90°
• β: 103.884 ± 0.001°
• γ: 90°
• Cell volume: 1568.44 ± 0.04 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.0675
• Goodness-of-fit parameter for all reflections: 1.008
• Goodness-of-fit parameter for significantly intense reflections: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No