Information card for entry 2231251

Structure parameters

• Chemical name: Bis(8-methyl-2,8-dicarba-<i>closo</i>-dodecaboran-2-yl) triselenide
• Formula: C6 H26 B20 Se3
• Calculated formula: C6 H26 B20 Se3
• SMILES: [BH]1234[BH]567[BH]893[BH]3%102[BH]2%111[BH]1%12%13[BH]%1432[BH]29%10[BH]358[BH]1%142[C]7%133([C]46%11%12[Se][Se][Se][C]1234[BH]567[BH]891[BH]1%105[BH]5%116[BH]627[BH]273[BH]3%116[BH]6%105[BH]581[BH]236[C]4975C)C
• Title of publication: Bis(8-methyl-2,8-dicarba-<i>closo</i>-dodecaboran-2-yl) triselenide
• Authors of publication: Ilie, Adriana; Soran, Albert; Laguna, Antonio; Silvestru, Cristian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1908
• a: 18.947 ± 0.002 Å
• b: 11.2734 ± 0.0013 Å
• c: 10.8533 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2318.2 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes