Information card for entry 4315644

Structure parameters

• Formula: C12 H30 B12 Cl12 Si2
• Calculated formula: C12 H30 B12 Cl12 Si2
• SMILES: [B]1234([Cl][Si](CC)(CC)CC)[B]567([B]89%10([B]%11%12%13([B]%14%15%16([B]%171([B]125([B]69%12([B]%13%16%171Cl)Cl)Cl)([B]13%15([B]8%11%14([B]47%101Cl)Cl)Cl)Cl)Cl)[Cl][Si](CC)(CC)CC)Cl)Cl
• Title of publication: Synthesis, Characterization, and Crystal Structures of Silylium Compounds of the Weakly Coordinating Dianion [B12Cl12]2-
• Authors of publication: Mathias Kessler; Carsten Knapp; Vanessa Sagawe; Harald Scherer; Rabiya Uzun
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5223 - 5230
• a: 9.201 ± 0.0018 Å
• b: 19.533 ± 0.004 Å
• c: 12.866 ± 0.004 Å
• α: 90°
• β: 132.023 ± 0.018°
• γ: 90°
• Cell volume: 1717.8 ± 0.9 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No