Information card for entry 4333712

Structure parameters

• Formula: C21 H46 B2 K O2 P Si2
• Calculated formula: C21 H46 B2 K O2 P Si2
• SMILES: [P]([BH3])([BH3])(C([Si](C)(C)C)[Si](C)(C)C)c1ccccc1.[K]([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: 8.6961 ± 0.0003 Å
• b: 30.2919 ± 0.0011 Å
• c: 23.9712 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6314.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No