Information card for entry 7102895

Structure parameters

• Formula: C148 H196 Cl4 N8 O34 P4 Pt2
• Calculated formula: C148 H196 Cl4 N8 O34 P4 Pt2
• SMILES: [Pt]([P](c1ccccc1)(c1ccccc1)c1cccc(c1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)OC)([P](c1ccccc1)(c1ccccc1)c1cccc(c1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)OC)(Cl)Cl.O=C(OCC)C.O=C(OCC)C.O=C(OCC)C.O=C(OCC)C.O=C(OCC)C
• Title of publication: Supramolecular PhanePhos-analogous ligands through hydrogen-bonding for asymmetric hydrogenation.
• Authors of publication: Laungani, Andy Ch; Breit, Bernhard
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 7
• Pages of publication: 844 - 846
• a: 17.0141 ± 0.0003 Å
• b: 25.7458 ± 0.0004 Å
• c: 17.7497 ± 0.0003 Å
• α: 90°
• β: 90.021 ± 0.001°
• γ: 90°
• Cell volume: 7775.1 ± 0.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No