Information card for entry 7051780

Structure parameters

• Common name: tris(4,5-dimethylthiazol-2-yl)phosphine
• Chemical name: tris(4,5-dimethylthiazol-2-yl)phosphane
• Formula: C15 H18 N3 P S3
• Calculated formula: C15 H18 N3 P S3
• SMILES: P(c1sc(c(n1)C)C)(c1sc(c(n1)C)C)c1sc(c(n1)C)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: 12.7604 ± 0.0012 Å
• b: 9.7885 ± 0.0009 Å
• c: 13.9233 ± 0.0013 Å
• α: 90°
• β: 101.8 ± 0.002°
• γ: 90°
• Cell volume: 1702.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.032
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No