Information card for entry 4342378

Structure parameters

• Formula: C84 H84 B12 Cl16 P2 Si2
• Calculated formula: C84 H84 B12 Cl16 P2 Si2
• SMILES: [B]1234([B]567([B]891(Cl)[B]1%103([B]3%11%12([B]%13%14%15([B]%16%173([B]25(Cl)([B]6%13%16([B]78%14([B]9%10%12%15Cl)Cl)Cl)[B]41%11%17Cl)Cl)Cl)Cl)Cl)Cl)Cl.C[SiH](C)CCC[P+](c1ccccc1)(c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1.c1(Cl)c(cccc1)Cl.C[SiH](C)CCC[P+](c1ccccc1)(c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1.c1(c(cccc1)Cl)Cl
• Title of publication: Cyclic Silylated Onium Ions of Group 15 Elements.
• Authors of publication: Reißmann, Matti; Schäfer, André; Panisch, Robin; Schmidtmann, Marc; Bolte, Michael; Müller, Thomas
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 2393
• a: 12.1228 ± 0.0004 Å
• b: 21.3999 ± 0.0008 Å
• c: 17.0156 ± 0.0006 Å
• α: 90°
• β: 91.43 ± 0.002°
• γ: 90°
• Cell volume: 4412.9 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0387
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No