Information card for entry 7213457

Structure parameters

• Chemical name: Octamethylbiphenylene hexachloroantimonate
• Formula: C20 H24 Cl6 Sb
• Calculated formula: C20 H24 Cl6 Sb
• SMILES: [Sb](Cl)(Cl)([Cl-])(Cl)(Cl)Cl.c12c(c(c(c(c1c1c(c(c(c(c21)C)C)C)C)C)C)C)C
• Title of publication: Direct relationship between intermolecular charge-transfer and charge-resonance complexes via structural changes in the arene donor with various π-acceptors
• Authors of publication: Maguères, Pierre Le; Lindeman, Sergey V.; Kochi, Jay K.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2001
• Journal issue: 7
• Pages of publication: 1180
• a: 8.6059 ± 0.0001 Å
• b: 11.739 ± 0.0002 Å
• c: 13.2313 ± 0.0001 Å
• α: 115.116 ± 0.001°
• β: 100.611 ± 0.001°
• γ: 95.783 ± 0.001°
• Cell volume: 1165.32 ± 0.03 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.0753
• Goodness-of-fit parameter for all reflections: 1.125
• Goodness-of-fit parameter for significantly intense reflections: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No