Information card for entry 7037443

Structure parameters

• Formula: C36 H28 Cl O2 P Pd
• Calculated formula: C36 H28 Cl O2 P Pd
• SMILES: [Pd]12(Cl)([P]3(Oc4c(c5c(O3)cccc5)cccc4)c3c(c4cccc5ccccc45)c4ccccc4cc3)[C](=[CH2]1)(C2)C
• Title of publication: The design of second generation MOP-phosphonites: efficient chiral hydrosilylation of functionalised styrenes.
• Authors of publication: Fleming, James T.; Ficks, Arne; 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: 5
• Pages of publication: 1886 - 1890
• a: 10.0618 ± 0.0003 Å
• b: 14.4757 ± 0.0004 Å
• c: 25.0065 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3642.2 ± 0.2 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No