Information card for entry 7106882

Structure parameters

• Formula: C24 H21 Au Cl N S
• Calculated formula: C24 H21 Au Cl N S
• SMILES: [Au](Cl)c1sc([n+](c1c1ccccc1)c1c(cc(cc1C)C)C)c1ccccc1
• Title of publication: Mesoionic thiazol-5-ylidenes as ligands for transition metal complexes
• Authors of publication: Daniel Mendoza-Espinosa; Gael Ung; Bruno Donnadieu; Guy Bertrand
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 10614
• a: 18.17 ± 0.004 Å
• b: 9.7695 ± 0.0015 Å
• c: 24.734 ± 0.004 Å
• α: 90°
• β: 99.134 ± 0.003°
• γ: 90°
• Cell volume: 4334.9 ± 1.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.2058
• Weighted residual factors for all reflections included in the refinement: 0.2243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No