Information card for entry 7213458

Structure parameters

• Chemical name: Octamethylbiphenylene hexachloroantimonate, dichloromethane monosolvate
• Formula: C21 H26 Cl8 Sb
• Calculated formula: C21 H26 Cl8 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.ClCCl
• 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: 9.6343 ± 0.0002 Å
• b: 10.6007 ± 0.0002 Å
• c: 13.8761 ± 0.0002 Å
• α: 81.964 ± 0.001°
• β: 70.035 ± 0.001°
• γ: 80.276 ± 0.001°
• Cell volume: 1307.69 ± 0.04 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: 0.0661
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.0671
• Goodness-of-fit parameter for all reflections: 0.987
• Goodness-of-fit parameter for significantly intense reflections: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No