Information card for entry 7007820

Structure parameters

• Formula: C6 H26 B20 Se
• Calculated formula: C6 H26 B20 Se
• SMILES: [Se]([C]1234[C]567([BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121)C)[C]1234[C]567([BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121)C
• Title of publication: Synthesis, reactivity and structural studies of selenide bridged carboranyl compounds.
• Authors of publication: Laromaine, Anna; Teixidor, Francesc; Kivekäs, Raikko; Sillanpää, Reijo; Arca, Massimiliano; Lippolis, Vito; Crespo, Eulàlia; Viñas, Clara
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 44
• Pages of publication: 5240 - 5247
• a: 13.9969 ± 0.0003 Å
• b: 11.7558 ± 0.0005 Å
• c: 14.2199 ± 0.0005 Å
• α: 90°
• β: 118.572 ± 0.002°
• γ: 90°
• Cell volume: 2054.86 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No