Information card for entry 2211551

Structure parameters

• Chemical name: (18-Crown-6)potassium di-<i>tert</i>-butylphospanylbisborohydride
• Formula: C20 H48 B2 K O6 P
• Calculated formula: C20 H48 B2 K O6 P
• SMILES: [K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.[P]([BH3])([BH3])(C(C)(C)C)C(C)(C)C
• Title of publication: (18-Crown-6)potassium di-<i>tert</i>-butylphospanylbisborohydride
• Authors of publication: Dornhaus, Franz; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3573 - m3575
• a: 9.569 ± 0.0013 Å
• b: 15.8008 ± 0.0015 Å
• c: 18.85 ± 0.002 Å
• α: 90°
• β: 102.585 ± 0.011°
• γ: 90°
• Cell volume: 2781.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.047
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.0493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes