Information card for entry 7014394

Structure parameters

• Formula: C20 H30 F6 N6 P Rh
• Calculated formula: C20 H30 F6 N6 P Rh
• Title of publication: Chiral N-heterocyclic biscarbenes based on 1,2,4-triazole as ligands for metal-catalyzed asymmetric synthesis.
• Authors of publication: Riederer, Stephanie K. U.; Bechlars, Bettina; Herrmann, Wolfgang A.; Kühn, Fritz E
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 1
• Pages of publication: 41 - 43
• a: 9.8816 ± 0.0011 Å
• b: 10.9635 ± 0.0012 Å
• c: 11.8619 ± 0.001 Å
• α: 111.53 ± 0.003°
• β: 90.034 ± 0.003°
• γ: 99.352 ± 0.004°
• Cell volume: 1177 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No