Information card for entry 4314030

Structure parameters

• Formula: C49 H54 Au2 O4 P4 S4
• Calculated formula: C49 H54 Au2 O4 P4 S4
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)C[P](c1ccccc1)(c1ccccc1)[Au]SP(=S)(OC1CCCC1)c1ccc(OC)cc1)SP(=S)(OC1CCCC1)c1ccc(OC)cc1
• Title of publication: Syntheses and Structures of Dinuclear Gold(I) Dithiophosphonate Complexes and the Reaction of the Dithiophosphonate Complexes with Phosphines: Diverse Coordination Types
• Authors of publication: Angelo Maspero; Ibrahim Kani; Ahmed A. Mohamed; Mohammad A. Omary; Richard J. Staples; John P. Fackler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5311 - 5319
• a: 12.3551 ± 0.0004 Å
• b: 22.8195 ± 0.0007 Å
• c: 18.2119 ± 0.0006 Å
• α: 90°
• β: 95.118 ± 0.001°
• γ: 90°
• Cell volume: 5114.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0805
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No