Information card for entry 4328106

Structure parameters

• Formula: C26 H22 Au2 N10 O12
• Calculated formula: C26 H22 Au2 N10 O12
• SMILES: [Au](C#N)C#N.[Au](C#N)C#N.[n+]1(ccc(cc1)c1cc[n+](cc1)c1c(cc(cc1)N(=O)=O)N(=O)=O)c1c(cc(cc1)N(=O)=O)N(=O)=O.O.O.O.O
• Title of publication: Photophysical Properties of {[Au(CN)2]-}2 Dimers Trapped in a Supramolecular Electron-Acceptor Organic Framework
• Authors of publication: Ahmed S. Abouelwafa; Christopher E. Anson; Andreas Hauser; Howard H. Patterson; François Baril-Robert; Xiaobo Li; Annie K. Powell
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1294 - 1301
• a: 11.1208 ± 0.0007 Å
• b: 26.2449 ± 0.0012 Å
• c: 10.9484 ± 0.0007 Å
• α: 90°
• β: 97.156 ± 0.005°
• γ: 90°
• Cell volume: 3170.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0726
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1982
• Weighted residual factors for all reflections included in the refinement: 0.203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No