Information card for entry 4025310

Structure parameters

• Chemical name: 5,5'-Oxy-bis(5-thiatellurocane) Bis(tetrafluoroborate
• Formula: C12 H24 B2 F8 O S2 Te2
• Calculated formula: C12 H24 B2 F8 O S2 Te2
• Title of publication: Electrochemical and Chemical Oxidation of Dithia-, Diselena-, Ditellura-, Selenathia-, and Tellurathiamesocycles and Stability of the Oxidized Species
• Authors of publication: Dennis H. Evans; Nadine E. Gruhn; Jin Jin; Bo Li; Edward Lorance; Noriko Okumura; Norma A. Macías-Ruvalcaba; Uzma I. Zakai; Shao-Zhong Zhang; Eric Block; Richard S. Glass
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 1997 - 2009
• a: 9.5331 ± 0.0008 Å
• b: 9.0124 ± 0.0008 Å
• c: 13.0975 ± 0.0011 Å
• α: 90°
• β: 109.492 ± 0.001°
• γ: 90°
• Cell volume: 1060.79 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No