Information card for entry 2237440

Structure parameters

• Chemical name: <i>rac</i>-[2-(Dicyclohexylphosphanyl)phenyl](phenyl)phosphinic diisopropylamide‒borane hemihydrate
• Formula: C60 H98 B2 N2 O3 P4
• Calculated formula: C60 H98 B2 N2 O3 P4
• Title of publication: <i>rac</i>-[2-(Dicyclohexylphosphanyl)phenyl](phenyl)phosphinic diisopropylamide‒borane hemihydrate
• Authors of publication: Evans, Stephen J.; Renison, C. Alicia; Williams, D. Bradley G.; Muller, Alfred
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o282 - o283
• a: 11.248 ± 0.0003 Å
• b: 11.524 ± 0.0003 Å
• c: 14.164 ± 0.0004 Å
• α: 90.543 ± 0.002°
• β: 108.178 ± 0.001°
• γ: 118.826 ± 0.001°
• Cell volume: 1499.73 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes