Information card for entry 4087279

Structure parameters

• Formula: C55 H45 Cl O P3 Rh
• Calculated formula: C55 H45 Cl O P3 Rh
• SMILES: [RhH]12(Cl)([P](c3ccccc3)(c3c(C1(O)c1c([P]2(c2ccccc2)c2ccccc2)cccc1)cccc3)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Convergent (De)Hydrogenative Pathways via a Rhodium α-Hydroxylalkyl Complex
• Authors of publication: Sung, Simon; Boon, Jie Kang; Lee, Johnathan J. C.; Rajabi, Nasir A.; Macgregor, Stuart A.; Krämer, Tobias; Young, Rowan D.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 8
• Pages of publication: 1609
• a: 13.2784 ± 0.0006 Å
• b: 21.9453 ± 0.0012 Å
• c: 15.2141 ± 0.0008 Å
• α: 90°
• β: 91.4616 ± 0.0019°
• γ: 90°
• Cell volume: 4431.9 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1185
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for all reflections: 0.1304
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No