Information card for entry 4103149

Structure parameters

• Formula: C52 H46 Au2 N2 O7 P4
• Calculated formula: C52 H46 Au2 N2 O7 P4
• SMILES: [Au]([P](C=C[P](c1ccccc1)(c1ccccc1)[Au]1)(c2ccccc2)c2ccccc2)[P](C=C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.N(=O)(=O)[O-].N(=O)(=O)[O-].O
• 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: 10.4897 ± 0.0004 Å
• b: 12.1851 ± 0.0004 Å
• c: 19.8709 ± 0.0011 Å
• α: 100.796 ± 0.002°
• β: 99.262 ± 0.002°
• γ: 93.058 ± 0.001°
• Cell volume: 2453.23 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.084
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1798
• Weighted residual factors for all reflections included in the refinement: 0.2188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No