Information card for entry 7000943

Structure parameters

• Formula: C76 H64 B2 Cl12 F8 N8 O4 Rh2
• Calculated formula: C76 H64 B2 Cl11.949 F8 N8 O4 Rh2
• Title of publication: New iridium and rhodium chiral di-N-heterocyclic carbene (NHC) complexes and their application in enantioselective catalysis
• Authors of publication: Jeletic, Matthew S.; Jan, Muhammad T.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 15
• Pages of publication: 2764 - 2776
• a: 20.039 ± 0.002 Å
• b: 20.668 ± 0.003 Å
• c: 20.407 ± 0.002 Å
• α: 90°
• β: 97.533 ± 0.002°
• γ: 90°
• Cell volume: 8378.9 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.089
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No