Information card for entry 4022152

Structure parameters

• Formula: C24 H24 Cl6 Sb
• Calculated formula: C24 H24 Cl6 Sb
• SMILES: c1(C)cccc2c(cccc12)C.c1(cccc2c(cccc12)C)C.[Cl-][Sb](Cl)(Cl)(Cl)(Cl)Cl
• Title of publication: The Question of Aromaticity in Open-Shell Cations and Anions as Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons
• Authors of publication: Sergiy V. Rosokha; Jay K. Kochi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 9357 - 9365
• a: 6.7725 ± 0.0003 Å
• b: 9.8657 ± 0.0005 Å
• c: 10.2475 ± 0.0005 Å
• α: 85.979 ± 0.001°
• β: 73.065 ± 0.001°
• γ: 72.593 ± 0.001°
• Cell volume: 624.9 ± 0.05 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: 0.0355
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4022149
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No