Information card for entry 1556269

Structure parameters

• Formula: C60 H53 Cl4 O5 P5 Rh2
• Calculated formula: C60 H53 Cl4 O5 P5 Rh2
• SMILES: c1(ccccc1)[P](c1ccccc1)(O)[Rh]12(P(=O)(c3ccccc3)c3ccccc3)([P](O)(c3ccccc3)c3ccccc3)[Cl][Rh](P(=O)(c3ccccc3)c3ccccc3)([P](O)(c3ccccc3)c3ccccc3)([Cl]1)([Cl]2)Cl
• Title of publication: SPOs as new ligands in Rh(iii) catalyzed enantioselective transfer hydrogenation
• Authors of publication: Castro, Pascal M.; Gulyás, Henrik; Benet-Buchholz, Jordi; Bo, Carles; Freixa, Zoraida; van Leeuwen, Piet W. N. M.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2011
• Journal volume: 1
• Journal issue: 3
• Pages of publication: 401
• a: 17.0585 ± 0.0015 Å
• b: 17.1534 ± 0.0016 Å
• c: 19.5448 ± 0.0017 Å
• α: 90°
• β: 90.797 ± 0.002°
• γ: 90°
• Cell volume: 5718.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No