Information card for entry 7104417

Structure parameters

• Formula: C34 H25 Au F6 Mn N3 O3 P2 S
• Calculated formula: C34 H25 Au F6 Mn N3 O3 P2 S
• SMILES: [Mn]1([n]2ccccc2c2cccc[n]12)(C#[O])(C#[O])(C#[O])[n]1ccsc1[Au][P](c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Metal-induced tautomerization of oxazole and thiazole molecules to heterocyclic carbenes.
• Authors of publication: Ruiz, Javier; Perandones, Bernabé F
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 19
• Pages of publication: 2741 - 2743
• a: 11.0938 ± 0.0003 Å
• b: 11.47 ± 0.0004 Å
• c: 15.1096 ± 0.0005 Å
• α: 94.041 ± 0.002°
• β: 101.191 ± 0.002°
• γ: 112.355 ± 0.002°
• Cell volume: 1722.13 ± 0.1 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: 0.0398
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No