Information card for entry 7117973

Structure parameters

• Common name: 6 in manuscript
• Formula: C60 H50 B Cl8 F4 N2 O2 P2 Rh
• Calculated formula: C60 H50 B Cl8 F4 N2 O2 P2 Rh
• SMILES: [Rh]1234([P](c5c(cc(cc5)NC(=O)c5cc(Cl)cc(Cl)c5)c5c([P]1(c1ccccc1)c1ccccc1)ccc(c5)NC(=O)c1cc(Cl)cc(Cl)c1)(c1ccccc1)c1ccccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1.[B](F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl
• Title of publication: 5,5'-Diamino-BIPHEP ligands bearing small selector units for non-covalent binding of chiral analytes in solution
• Authors of publication: G. Storch; M. Siebert; F. Rominger; O. Trapp
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 15665
• a: 32.934 ± 0.003 Å
• b: 14.4798 ± 0.0013 Å
• c: 52.282 ± 0.004 Å
• α: 90°
• β: 103.448 ± 0.002°
• γ: 90°
• Cell volume: 24249 ± 4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 9
• 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: 0.2205
• Residual factor for significantly intense reflections: 0.1959
• Weighted residual factors for significantly intense reflections: 0.3924
• Weighted residual factors for all reflections included in the refinement: 0.4066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No