Information card for entry 7040537

Structure parameters

• Formula: C39 H38 Cl2 O3 P2 Pt
• Calculated formula: C39 H38 Cl2 O3 P2 Pt
• SMILES: [Pt](Cl)(Cl)([P]1(Oc2c(c3c(O1)cccc3)cccc2)c1c(c2c(OC)ccc3ccccc23)c2ccccc2cc1)[P](CC)(CC)CC
• Title of publication: A comparison of MOP-phosphonite ligands and their applications in Rh(i)- and Pd(ii)-catalysed asymmetric transformations.
• Authors of publication: Fleming, James T.; Wills, Corinne; Waddell, Paul G.; Harrington, Ross W.; Higham, Lee J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 39
• Pages of publication: 15660 - 15670
• a: 11.52064 ± 0.00015 Å
• b: 11.52064 ± 0.00015 Å
• c: 22.9152 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2633.95 ± 0.06 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0353
• Weighted residual factors for all reflections included in the refinement: 0.0363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No