Information card for entry 1518246

Structure parameters

• Formula: C51 H52 Cl4 F6 N4 O3 P Rh
• Calculated formula: C51 H52 Cl4 F6 N4 O3 P Rh
• SMILES: [Rh]123([O]=C(/C=C/c4ccccc4)c4[n]1ccn4C(C)C)([n]1c(oc4c1cc(cc4)C(C)(C)C)c1c2cccc1)[n]1c(oc2ccc(cc12)C(C)(C)C)c1c3cccc1.ClCCl.ClCCl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality
• Authors of publication: Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 1094
• a: 17.7761 ± 0.0006 Å
• b: 22.9437 ± 0.0008 Å
• c: 13.1111 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5347.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No