Information card for entry 7017405

Structure parameters

• Formula: C46 H104 B2 K2 N6 P2 S2 Si4
• Calculated formula: C46 H104 B2 K2 N6 P2 S2 Si4
• SMILES: [BH3]P(C([Si](C)(C)C)[Si](C)(C)C)c1ccccc1SC.[K]12[N](C)(C)CC[N]1(C)CC[N]2(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: 11.1081 ± 0.0006 Å
• b: 12.0772 ± 0.0007 Å
• c: 14.3398 ± 0.0007 Å
• α: 101.977 ± 0.004°
• β: 108.829 ± 0.005°
• γ: 105.691 ± 0.005°
• Cell volume: 1658.67 ± 0.19 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: 0.0388
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No