Information card for entry 7115174

Structure parameters

• Formula: C17 H32 I2 P2 Pt
• Calculated formula: C17 H32 I2 P2 Pt
• SMILES: [Pt]1(I)(I)[P]2([C@@H]3[C@@H]([P]41[C@H](C)CC[C@H]4C)CCC3)[C@H](C)CC[C@H]2C
• Title of publication: Rationally designed improvement of the bis(phospholano)ethane ligand for asymmetric hydrogenation leads to a reappraisal of the factors governing the enantioselectivity of Duphos catalysts
• Authors of publication: Fernandez, Elena; Gillon, Amy; Heslop, Katie; Horwood, Emily; Hyett, David J.; Orpen, A. Guy; Pringle, Paul G.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 17
• Pages of publication: 1663
• a: 8.347 ± 0.0019 Å
• b: 13.844 ± 0.004 Å
• c: 10.3968 ± 0.0019 Å
• α: 90 ± 0.013°
• β: 111.574 ± 0.011°
• γ: 90 ± 0.02°
• Cell volume: 1117.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No