Information card for entry 7020716

Structure parameters

• Formula: C8 H27 B11 N2 Sn
• Calculated formula: C8 H27 B11 N2 Sn
• SMILES: [Sn]1234[BH]567[B]891([N](=CC)CC)[BH]1%102[BH]2%11%12[BH]%13%14%15[BH]58([BH]57%14[BH]72%13[B]31%11([N](CC)=CC)[BH]4657)[BH]9%10%12%15
• 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: 11.7586 ± 0.0006 Å
• b: 12.7204 ± 0.0006 Å
• c: 23.849 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3567.2 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No