Information card for entry 4323705

Structure parameters

• Formula: C37 H30 Au Cl2 N P2 S3
• Calculated formula: C37 H30 Au Cl2 N P2 S3
• SMILES: [Au]1(SC(=S)S1)(Cl)Cl.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Complexes with S-Donor Ligands. 6.Synthesis of the First Family of (Trithiocarbonato)gold Complexes. Crystal Structure of [(PPh3)2N][AuCl2(CS3)]
• Authors of publication: José Vicente; María-Teresa Chicote; Pablo González-Herrero; Peter G. Jones
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 5735 - 5739
• a: 9.482 ± 0.002 Å
• b: 11.888 ± 0.002 Å
• c: 17.303 ± 0.002 Å
• α: 108.236 ± 0.006°
• β: 93.34 ± 0.01°
• γ: 95.605 ± 0.01°
• Cell volume: 1835.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections: 0.097
• Weighted residual factors for significantly intense reflections: 0.0909
• Goodness-of-fit parameter for all reflections: 1.064
• Goodness-of-fit parameter for significantly intense reflections: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No