Information card for entry 7131670

Structure parameters

• Formula: C66 H39 B F20 Si
• Calculated formula: C66 H39 B F20 Si
• SMILES: [Si+](c1c2C3(c4c(c5c3cccc5)cccc4)CC(c2cc2c1C1(c3c(c4ccccc14)cccc3)CC2(C)C)(C)C)(C)C.Fc1c(F)c(F)c(F)c(F)c1[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Aryldimethylelement cations of the heavier group 14 elements. An essentially three-coordinate plumbylium ion.
• Authors of publication: Janssen, Marvin; Mebs, Stefan; Beckmann, Jens
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 47
• Pages of publication: 7267 - 7270
• a: 10.5128 ± 0.0011 Å
• b: 17.7699 ± 0.0016 Å
• c: 29.707 ± 0.003 Å
• α: 90°
• β: 94.346 ± 0.003°
• γ: 90°
• Cell volume: 5533.6 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0837
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No