Information card for entry 7210207

Structure parameters

• Formula: C22 H28 Au2 Br4 O4 P2 S4
• Calculated formula: C22 H28 Au2 Br4 O4 P2 S4
• SMILES: [Au]1(Br)(Br)[S]=P(S1)(O[C@H]1[C@H](OP2(=[S][Au](Br)(Br)S2)c2ccc(OCC)cc2)CCCC1)c1ccc(OCC)cc1.[Au]1(Br)(Br)[S]=P(S1)(O[C@@H]1[C@@H](OP2(=[S][Au](Br)(Br)S2)c2ccc(OCC)cc2)CCCC1)c1ccc(OCC)cc1
• Title of publication: A hexanuclear gold(i) metallatriangle derived from a chiral dithiophosphate: synthesis, structure, luminescence and oxidative bromination reactivity
• Authors of publication: Pillay, Michael N.; Omondi, Bernard; Staples, Richard J.; van Zyl, Werner E.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 22
• Pages of publication: 4417
• a: 11.2132 ± 0.0008 Å
• b: 15.3143 ± 0.0011 Å
• c: 19.9458 ± 0.0015 Å
• α: 90°
• β: 92.798 ± 0.001°
• γ: 90°
• Cell volume: 3421.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0469
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No