Information card for entry 4333710

Structure parameters

• Formula: C21 H46 B2 Na O2 P Si2
• Calculated formula: C21 H46 B2 Na O2 P Si2
• SMILES: [P]([BH3])([BH3])(C([Si](C)(C)C)[Si](C)(C)C)c1ccccc1.[Na]([O]1CCCC1)[O]1CCCC1
• Title of publication: Phosphido-Borane and Phosphido-Bis(Borane) Complexes of the Alkali Metals, a Comparative Study
• Authors of publication: Keith Izod; James M. Watson; William Clegg; Ross W. Harrington
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1466 - 1475
• a: 9.661 ± 0.003 Å
• b: 12.453 ± 0.002 Å
• c: 12.956 ± 0.004 Å
• α: 85.291 ± 0.018°
• β: 71.807 ± 0.019°
• γ: 81.117 ± 0.016°
• Cell volume: 1462.1 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No