Information card for entry 4315645

Structure parameters

• Formula: C18 H42 B12 Cl12 Si2
• Calculated formula: C18 H42 B12 Cl12 Si2
• SMILES: [B]1234(Cl)[B]567([Cl][Si](C(C)C)(C(C)C)C(C)C)[B]891(Cl)[B]1%102([Cl][Si](C(C)C)(C(C)C)C(C)C)[B]2%113(Cl)[B]345(Cl)[B]45%11([B]%11%102([B]291([B]168(Cl)[B]734(Cl)[B]5%1121Cl)Cl)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: 10.652 ± 0.002 Å
• b: 15.584 ± 0.003 Å
• c: 24.034 ± 0.005 Å
• α: 90°
• β: 96.4 ± 0.03°
• γ: 90°
• Cell volume: 3964.8 ± 1.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.048
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No