Information card for entry 7007823

Structure parameters

• Formula: C16 H30 B20 Se2
• Calculated formula: C16 H30 B20 Se2
• SMILES: [Se]([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)c1ccccc1)[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)c1ccccc1
• 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: 8.0368 ± 0.0004 Å
• b: 12.3095 ± 0.0005 Å
• c: 14.0307 ± 0.0007 Å
• α: 90°
• β: 91.717 ± 0.005°
• γ: 90°
• Cell volume: 1387.42 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No