Information card for entry 4341864

Structure parameters

• Formula: C80 H80 Au4 Cl2 O10 P6
• Calculated formula: C80 H80 Au4 Cl2 O10 P6
• SMILES: C(#CC1(CCCCC1)O)[Au][P]1(c2ccccc2)C[P](c2ccccc2)([Au][P](c2ccccc2)(c2ccccc2)C[P]([Au]C#CC2(CCCCC2)O)(C[P](c2ccccc2)(c2ccccc2)[Au][P](c2ccccc2)(c2ccccc2)C1)c1ccccc1)c1ccccc1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Tetragold(I) Complexes: Solution Isomerization and Tunable Solid-State Luminescence.
• Authors of publication: Dau, Thuy Minh; Chen, Yi-An; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Lin, Ke-Ting; Hung, Wen-Yi; Chou, Pi-Tai; Pakkanen, Tapani A.; Koshevoy, Igor O.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141201154356007
• a: 18.1811 ± 0.0003 Å
• b: 19.7386 ± 0.0002 Å
• c: 22.4595 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8060.03 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No