Information card for entry 4109745

Structure parameters

• Formula: C41 H32 Au Cl2 F6 Mn N4 O3 P2
• Calculated formula: C41 H32 Au Cl2 F6 Mn N4 O3 P2
• SMILES: [Au](=C1N(C=CN1c1ccccc1)[Mn]1(C#[O])(C#[O])([n]2ccccc2c2cccc[n]12)C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
• 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: 10.9629 ± 0.0002 Å
• b: 11.2933 ± 0.0002 Å
• c: 18.6298 ± 0.0004 Å
• α: 95.881 ± 0.001°
• β: 103.728 ± 0.001°
• γ: 112.324 ± 0.001°
• Cell volume: 2024.52 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No