Information card for entry 7245948

Structure parameters

• Formula: C39 H37 Cl4 F15 N4 P Rh Sb2
• Calculated formula: C39 H37 Cl4 F15 N4 P Rh Sb2
• SMILES: [Rh]123([P](c4ccccc4)(c4ccccc4)c4ccccc4C[N]1(Cc1[n]2cccc1)Cc1c3ccc(c1)C(F)(F)F)([N]#CC)[N]#CC.[Sb](F)(F)(F)(F)(F)[F-].[Sb](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl
• Title of publication: Synthesis of chiral-at-metal rhodium complexes from achiral tripodal tetradentate ligands: resolution and application to enantioselective Diels–Alder and 1,3-dipolar cycloadditions
• Authors of publication: Tejero, Alvaro G.; Carmona, María; Rodríguez, Ricardo; Viguri, Fernando; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 53
• Pages of publication: 34704 - 34714
• a: 12.2805 ± 0.0009 Å
• b: 13.6365 ± 0.0009 Å
• c: 14.6021 ± 0.001 Å
• α: 96.069 ± 0.001°
• β: 102.032 ± 0.002°
• γ: 92.269 ± 0.002°
• Cell volume: 2373.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No