Information card for entry 7717510

Structure parameters

• Formula: C48 H52 B F4 N4 O8 Rh
• Calculated formula: C48 H52 B F4 N4 O8 Rh
• Title of publication: Supramolecular bidentate rhodium(I) or iridium(I) phosphine and oxazoline amino acid bioconjugates as selective catalysts for enantioselective reactions.
• Authors of publication: Bakija, Marija; Opačak, Saša; Perić, Berislav; Chakrabortty, Soumyadeep; Dell'Acqua, Andrea; Baráth, Eszter; de Vries, Johannes G.; Tin, Sergey; Kirin, Srećko I
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 1021 - 1037
• a: 20.5437 ± 0.0004 Å
• b: 10.4027 ± 0.0004 Å
• c: 30.6083 ± 0.0009 Å
• α: 90°
• β: 106.71 ± 0.003°
• γ: 90°
• Cell volume: 6265.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No