Information card for entry 4334277

Structure parameters

• Formula: C120 H138 Ag2 Au6 Cl2 O16 P6
• Calculated formula: C120 H138 Ag2 Au6 Cl2 O16 P6
• SMILES: [C]1(#CC(C)(O)C)[Ag]2([C](#CC(O)(C)C)[Au][P](c3ccccc3)(c3ccccc3)CCCC[P]([Au]1)(c1ccccc1)c1ccccc1)[C](#[C]2C(O)(C)C)[Au][P](c1ccccc1)(c1ccccc1)CCCC[P]([Au][C]1#[C]([Ag]21[C](#CC(C)(C)O)[Au][P](c1ccccc1)(c1ccccc1)CCCC[P]([Au][C]2#CC(O)(C)C)(c1ccccc1)c1ccccc1)C(O)(C)C)(c1ccccc1)c1ccccc1.[O-]Cl(=O)(=O)=O.O[C](C)C.[O-]Cl(=O)(=O)=O.O[C](C)C
• Title of publication: Sky-Blue Luminescent AuI-AgI Alkynyl-Phosphine Clusters
• Authors of publication: Igor O. Koshevoy; Antti J. Karttunen; Ilya S. Kritchenkou; Dmitrii V. Krupenya; Stanislav I. Selivanov; Alexei S. Melnikov; Sergey P. Tunik; Matti Haukka; Tapani A. Pakkanen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 3663 - 3673
• a: 13.1001 ± 0.0005 Å
• b: 14.0229 ± 0.0006 Å
• c: 17.8852 ± 0.0008 Å
• α: 100.807 ± 0.003°
• β: 98.707 ± 0.002°
• γ: 98.553 ± 0.003°
• Cell volume: 3136.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0843
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No