Information card for entry 4315646

Structure parameters

• Formula: C18 H46 B12 Cl12 O2 Si2
• Calculated formula: C18 H46 B12 Cl12 O2 Si2
• SMILES: [B]1234([B]567([B]891(Cl)[B]1%105([B]5%11%12([B]%1381([B]185([B]52([B]236([B]%1115([B]7%10%122Cl)Cl)Cl)([B]49%138Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl.C(C)(C)[Si](C(C)C)(C(C)C)[OH2].C(C)(C)[Si](C(C)C)(C(C)C)[OH2]
• 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: 28.983 ± 0.006 Å
• b: 8.9518 ± 0.0018 Å
• c: 18.828 ± 0.004 Å
• α: 90°
• β: 120.94 ± 0.03°
• γ: 90°
• Cell volume: 4190 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No