Information card for entry 4309417

Structure parameters

• Formula: C39 H28 Au2 Cl2 F6 P2 S2
• Calculated formula: C39 H28 Au2 Cl2 F6 P2 S2
• SMILES: [Au](Cl)[P](c1sc(C)c(C2=C(C(F)(F)C(F)(F)C2(F)F)c2c(sc([P]([Au]Cl)(c3ccccc3)c3ccccc3)c2)C)c1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Coordination Chemistry of a Photoswitchable Bis(phosphine) Ligand
• Authors of publication: David Sud; Robert McDonald; Neil R. Branda
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 5960 - 5962
• a: 9.71 ± 0.0006 Å
• b: 10.2317 ± 0.0006 Å
• c: 20.459 ± 0.0012 Å
• α: 83.1693 ± 0.0009°
• β: 76.9049 ± 0.0008°
• γ: 84.1473 ± 0.0009°
• Cell volume: 1959.8 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0249
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No