Information card for entry 4109744

Structure parameters

• Formula: C45 H34 Cl2 F12 Mn2 N8 O6 P2
• Calculated formula: C45 H34 Cl2 F12 Mn2 N8 O6 P2
• Title of publication: Base-Promoted Tautomerization of Imidazole Ligands to N-Heterocyclic Carbenes and Subsequent Transmetalation Reaction
• Authors of publication: Javier Ruiz; Bernabé F. Perandones
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 9298 - 9299
• a: 12.875 ± 0.003 Å
• b: 9.1942 ± 0.0019 Å
• c: 21.33 ± 0.004 Å
• α: 90°
• β: 103.882 ± 0.003°
• γ: 90°
• Cell volume: 2451.2 ± 0.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0639
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No