Information card for entry 4314036

Structure parameters

• Formula: C48 H46 Au O2 P3 S2
• Calculated formula: C48 H46 Au O2 P3 S2
• SMILES: [Au]1([S]=P(S1)(OC1CCCC1)c1ccc(cc1)OC)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 10.7834 ± 0.0002 Å
• b: 13.4375 ± 0.0003 Å
• c: 15.2389 ± 0.0002 Å
• α: 79.013 ± 0.001°
• β: 79.385 ± 0.001°
• γ: 88.913 ± 0.001°
• Cell volume: 2130.28 ± 0.07 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No