Information card for entry 7038142

Structure parameters

• Common name: Binolphosphine
• Formula: C36 H55 N4 O P Si3 Zr
• Calculated formula: C36 H55 N4 O P Si3 Zr
• SMILES: [Zr]123(Pc4c(c5c(OC)ccc6c5cccc6)c5c(cc4)cccc5)[N](CCN3[Si](C)(C)C)(CCN1[Si](C)(C)C)CCN2[Si](C)(C)C
• Title of publication: Zirconium-catalyzed intermolecular hydrophosphination using a chiral, air-stable primary phosphine.
• Authors of publication: Bange, Christine A.; Ghebreab, Michael B.; Ficks, Arne; Mucha, Neil T.; Higham, Lee; Waterman, Rory
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 1863 - 1867
• a: 10.843 ± 0.002 Å
• b: 12.324 ± 0.002 Å
• c: 18.699 ± 0.003 Å
• α: 77.714 ± 0.002°
• β: 81.478 ± 0.002°
• γ: 71.588 ± 0.002°
• Cell volume: 2307.7 ± 0.7 ų
• Cell temperature: 128 ± 2 K
• Ambient diffraction temperature: 128 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No