Information card for entry 4121077

Structure parameters

• Formula: C130 H138 Au8 N2 O12 P8
• Calculated formula: C130 H138 Au8 N2 O12 P8
• SMILES: CO.CO.CO.[P]1([Au]2([Au]345[P](c6ccccc6)(c6ccccc6)CCC[P]([Au]678[Au]9%103([P](c3ccccc3)(CCC1)c1ccccc1)[Au]124[P](c2ccccc2)(c2ccccc2)CCC[P]([Au]279[Au]6([P](c3ccccc3)(c3ccccc3)CCC[P]([Au]58%1012)(c1ccccc1)c1ccccc1)C#Cc1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#Cc1ccccc1)(c1ccccc1)c1ccccc1.N(=O)(=O)[O-].CO.CO.CO.N(=O)(=O)[O-]
• Title of publication: Protonation-Induced Chromism of Pyridylethynyl-Appended [core+exo]-Type Au8Clusters. Resonance-Coupled Electronic Perturbation through π-Conjugated Group
• Authors of publication: Naoki Kobayashi; Yutaro Kamei; Yukatsu Shichibu; Katsuaki Konishi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 16078 - 16081
• a: 31.2188 ± 0.0014 Å
• b: 17.1001 ± 0.0007 Å
• c: 23.3745 ± 0.001 Å
• α: 90°
• β: 90.371 ± 0.001°
• γ: 90°
• Cell volume: 12478.1 ± 0.9 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No