Information card for entry 7104418

Structure parameters

• Formula: C21 H18 Au Cl N O4 P S
• Calculated formula: C21 H18 Au Cl N O4 P S
• 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: 9.703 ± 0.0003 Å
• b: 16.6091 ± 0.0006 Å
• c: 13.918 ± 0.0004 Å
• α: 90°
• β: 101.338 ± 0.002°
• γ: 90°
• Cell volume: 2199.22 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No