Information card for entry 4103150

Structure parameters

• Formula: C52.81 H47.23 Au2 N2 O6.81 P4
• Calculated formula: C52.808 H47.232 Au2 N2 O6.808 P4
• SMILES: [Au]12[Au]([P](C=C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](C=C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.N(=O)(=O)[O-].N(=O)(=O)[O-].CO
• Title of publication: Guest Escape and Uptake in Nonporous Crystals of a Gold(I) Macrocycle
• Authors of publication: Andrea Deák; Tünde Tunyogi; Zoltán Károly; Szilvia Klébert; Gábor Pálinkás
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 13627 - 13629
• a: 10.2469 ± 0.0016 Å
• b: 12.2663 ± 0.0019 Å
• c: 19.899 ± 0.003 Å
• α: 100.672 ± 0.007°
• β: 99.456 ± 0.007°
• γ: 91.69 ± 0.007°
• Cell volume: 2419.8 ± 0.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0493
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No