Information card for entry 7025738

Structure parameters

• Formula: C16 H50 B11 Ge N3 S
• Calculated formula: C16 H50 B11 Ge N3 S
• Title of publication: Chalcogen chemistry of group(IV) closo-dodecaborates, synthesis, theory and coordination chemistry.
• Authors of publication: Dimmer, Jörg-Alexander; Hornung, Martin; Weigend, Florian; Wesemann, Lars
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 32
• Pages of publication: 7504 - 7512
• a: 13.9413 ± 0.001 Å
• b: 13.6807 ± 0.0008 Å
• c: 15.658 ± 0.0012 Å
• α: 90°
• β: 91.098 ± 0.006°
• γ: 90°
• Cell volume: 2985.9 ± 0.4 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: 0.0747
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No