Information card for entry 7020718

Structure parameters

• Formula: C5 H22 B11 N Sn
• Calculated formula: C5 H22 B11 N Sn
• SMILES: [N](CC)(=CC)[BH]1234[BH]567[BH]89%10[Sn]%11%12%13(C)[BH]258[BH]23%11[BH]351[BH]18%11[BH]69([BH]4731)[BH]%10%128[BH]%1325%11
• Title of publication: B-N bond formation at stanna-closo-dodecaborate.
• Authors of publication: Wütz, Tobias; Fleischhauer, Sebastian; Wesemann, Lars
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 3
• Pages of publication: 753 - 758
• a: 7.1933 ± 0.0004 Å
• b: 9.7884 ± 0.0006 Å
• c: 11.3155 ± 0.0007 Å
• α: 86.106 ± 0.005°
• β: 87.949 ± 0.005°
• γ: 69.275 ± 0.004°
• Cell volume: 743.4 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No