Information card for entry 7017404

Structure parameters

• Formula: C20 H45 B N2 Na P S Si2
• Calculated formula: C20 H45 B N2 Na P S Si2
• SMILES: [BH3][P]1(C([Si](C)(C)C)[Si](C)(C)C)c2ccccc2[S](C)[Na]21[N](CC[N]2(C)C)(C)C
• Title of publication: Synthesis, structures and stabilities of thioanisole-functionalised phosphido-borane complexes of the alkali metals.
• Authors of publication: Izod, Keith; Watson, James M.; Clegg, William; Harrington, Ross W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 44
• Pages of publication: 11712 - 11718
• a: 11.3566 ± 0.0009 Å
• b: 13.2652 ± 0.001 Å
• c: 21.1564 ± 0.0018 Å
• α: 93.397 ± 0.007°
• β: 104.76 ± 0.007°
• γ: 97.552 ± 0.006°
• Cell volume: 3040.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1302
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 0.698
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No