Information card for entry 4322346

Structure parameters

• Formula: C43.5 H39 Au Cl2 N O2.5 P2 S2
• Calculated formula: C43.5 H36 Au Cl2 N O2.5 P2 S2
• SMILES: [Au]1(SC(=C(C(=O)C)C(=O)C)S1)(Cl)Cl.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C(=O)(C)C
• Title of publication: Complexes with S-Donor Ligands. 7. New 1,1-Ethylenedithiolato Complexes of Thallium(I), Gold(I), and Gold(III): Syntheses, Structure, and Molecular cubic Hyperpolarizabilities
• Authors of publication: José Vicente; María Teresa Chicote; Pablo González-Herrero; Peter G. Jones; Mark G. Humphrey; Marie P. Cifuentes; Marek Samoc; Barry Luther-Davies
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5018 - 5026
• a: 9.8414 ± 0.0014 Å
• b: 17.337 ± 0.002 Å
• c: 26.086 ± 0.003 Å
• α: 101.078 ± 0.01°
• β: 98.179 ± 0.01°
• γ: 102.857 ± 0.01°
• Cell volume: 4178 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for all reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.0605
• Goodness-of-fit parameter for all reflections: 0.898
• Goodness-of-fit parameter for significantly intense reflections: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No