Information card for entry 7033946

Structure parameters

• Formula: C26 H82 B22 Ge2 N2 S
• Calculated formula: C26 H82 B22 Ge2 N2 S
• SMILES: [N+](CCCC)(C)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)C.[Ge]1234(S[Ge]5678[BH]9%10%11[BH]%12%13%14[BH]%15%16%17[BH]%18%19%20[BH]%21%22%23[BH]%12%15%18[BH]%10%13%22[BH]59%21[BH]7%19%23[BH]8%17%20[BH]6%11%14%16)[BH]567[BH]89%10[BH]%11%12%13[BH]%14%158[BH]869[BH]625[BH]251[BH]%1486[BH]%13%155[BH]4%122[BH]37%10%11
• 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: 10.3761 ± 0.001 Å
• b: 13.0634 ± 0.001 Å
• c: 18.8637 ± 0.0016 Å
• α: 80.125 ± 0.006°
• β: 74.74 ± 0.007°
• γ: 88.692 ± 0.007°
• Cell volume: 2429.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.251
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No