Information card for entry 7000441

Structure parameters

• Formula: C16 H50 B11 N3 Se Sn
• Calculated formula: C16 H50 B11 N3 Se Sn
• Title of publication: Partial double bond character in chalcogen compounds of stanna-closo-dodecaborate
• Authors of publication: Kirchmann, Marius; Gädt, Torben; Schappacher, Falko M.; Pöttgen, Rainer; Weigend, Florian; Wesemann, Lars
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 6
• Pages of publication: 1055 - 1062
• a: 13.3974 ± 0.0007 Å
• b: 14.1165 ± 0.0005 Å
• c: 16.2152 ± 0.0008 Å
• α: 90°
• β: 92.342 ± 0.004°
• γ: 90°
• Cell volume: 3064.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1002
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No