Information card for entry 8000057

Structure parameters

• Common name: bromine adduct
• Chemical name: 9,9,9,10-tetrabromo-2,3,6,7,14,15-hexamethyl-9,10- distibatriptycene
• Formula: C25 H25 Br4 Cl3 Sb2
• Calculated formula: C25 H25 Br4 Cl3 Sb2
• SMILES: [Sb]12(Br)(Br)(Br)c3c([Sb](Br)(c4cc(c(C)cc24)C)c2c1cc(c(C)c2)C)cc(C)c(C)c3.ClC(Cl)Cl
• Title of publication: A Bromine Adduct of 2,3,6,7,14,15-Hexamethyl-9,10-distibatriptycene. The First Stibonium‒Stiborate Zwitterion
• Authors of publication: Yosuke Uchiyama; Gaku Yamamoto
• Journal of publication: Chemistry Letters
• Year of publication: 2005
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 966
• a: 11.0798 ± 0.0004 Å
• b: 18.9219 ± 0.0007 Å
• c: 14.3459 ± 0.0008 Å
• α: 90 ± 0.0007°
• β: 100.184 ± 0.0008°
• γ: 90 ± 0.0007°
• Cell volume: 2960.2 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No