Information card for entry 7051787

Structure parameters

• Common name: tris(4-methylthiazol-2-yl)phosphinegold(I) chloride
• Chemical name: chloridotris(4-methylthiazol-2-yl)phosphanegold(I)
• Formula: C12 H12 Au Cl N3 P S3
• Calculated formula: C12 H12 Au Cl N3 P S3
• SMILES: [Au](Cl)[P](c1scc(n1)C)(c1scc(n1)C)c1scc(n1)C
• Title of publication: Preparation of tris(azolyl)phosphine gold(i) complexes: digold(i) coordination and variation in solid state intermolecular interactions
• Authors of publication: Strasser, Christoph E.; Gabrielli, William F.; Esterhuysen, Catharine; Schuster, Oliver B.; Nogai, Stefan D.; Cronje, Stephanie; Raubenheimer, Helgard G.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 1
• Pages of publication: 138
• a: 19.8224 ± 0.0019 Å
• b: 10.333 ± 0.001 Å
• c: 17.5435 ± 0.0017 Å
• α: 90°
• β: 109.95 ± 0.001°
• γ: 90°
• Cell volume: 3377.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0277
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No