Information card for entry 7026560

Structure parameters

• Formula: C24 H28 B F10 O P
• Calculated formula: C24 H28 B F10 O P
• SMILES: [PH+](C(C)(C)C)(C(C)(C)C)CC(O[BH](c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(C)C
• Title of publication: Facile dihydrogen release from phosphino-borinate ester Lewis pairs.
• Authors of publication: Chapman, Andy M.; Haddow, Mairi F.; Orton, Jonathan P. H.; Wass, Duncan F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 27
• Pages of publication: 6184 - 6186
• a: 15.722 ± 0.001 Å
• b: 16.265 ± 0.001 Å
• c: 21.551 ± 0.001 Å
• α: 89.298 ± 0.002°
• β: 68.628 ± 0.002°
• γ: 88.04 ± 0.002°
• Cell volume: 5129 ± 0.5 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: 0.1283
• Residual factor for significantly intense reflections: 0.1216
• Weighted residual factors for significantly intense reflections: 0.2711
• Weighted residual factors for all reflections included in the refinement: 0.2732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.289
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No