Information card for entry 7033947

Structure parameters

• Formula: C16 H37 B11 N2 O3 S3 Sn
• Calculated formula: C16 H37 B11 N2 O3 S3 Sn
• SMILES: c1cccc2c3cccc[n]3[Sn]3456([BH]789[BH]%10%113[BH]3%124[BH]4%135[BH]567[BH]678[BH]89%10[BH]9%113[BH]3%124[BH]%1356[BH]7893)([n]12)[O]=S(C)C.CS(C)=O.CS(C)=O
• Title of publication: Oxidation of germa- and stanna-closo-dodecaborate.
• Authors of publication: Gädt, Torben; Dimmer, Jörg-Alexander; Fleischhauer, Sebastian; Frank, Anita; Nickl, Claudia; Wütz, Tobias; Eichele, Klaus; Wesemann, Lars
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 10
• Pages of publication: 4726 - 4731
• a: 11.8146 ± 0.001 Å
• b: 8.6455 ± 0.0004 Å
• c: 28.438 ± 0.002 Å
• α: 90°
• β: 100.542 ± 0.006°
• γ: 90°
• Cell volume: 2855.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No