Information card for entry 1518521

Structure parameters

• Formula: C168 H168 Au8 Mo12 O46 P8 Si
• Calculated formula: C168 H168 Au8 Mo12 O46 P8 Si
• SMILES: [Au]([P](c1cc(ccc1)C)(c1cc(ccc1)C)c1cc(ccc1)C)[O]([Au][P](c1cc(ccc1)C)(c1cc(ccc1)C)c1cc(ccc1)C)([Au][P](c1cc(ccc1)C)(c1cc(ccc1)C)c1cc(ccc1)C)[Au][P](c1cc(ccc1)C)(c1cc(ccc1)C)c1cc(ccc1)C.[Au]([P](c1cc(ccc1)C)(c1cc(ccc1)C)c1cc(ccc1)C)[O]([Au][P](c1cc(ccc1)C)(c1cc(ccc1)C)c1cc(ccc1)C)([Au][P](c1cc(ccc1)C)(c1cc(ccc1)C)c1cc(ccc1)C)[Au][P](c1cc(ccc1)C)(c1cc(ccc1)C)c1cc(ccc1)C.[Mo]12345(=O)O[Mo]6789(=O)[O]%10%114[Mo]4%12(=O)(O5)(O6)O[Mo]56%13%14(O[Mo]%15%16%17(=O)(O4)[O]%125[Si]45%12%18%19%10[O]%103%11[Mo]3%11%20(=O)(O[Mo]%21%10(O1)(=O)(O%16)O[Mo]1%10(=O)(O[Mo]%16%22%23(=O)(O[Mo]%24%25(=O)(O1)(O3)O[Mo]1(O7)(O[Mo](=O)(O8)([O]941)(O%16)(O6)[O]%145%22[O]%19%10%23%25)(=O)(O%11)[O]%12%20%24)O%13)(O%15)[O]%17%18%21)O2)=O
• Title of publication: Various Oxygen-Centered Phosphanegold(I) Cluster Cations Formed by Polyoxometalate (POM)-Mediated Clusterization: Effects of POMs and Phosphanes
• Authors of publication: Yoshida, Takuya; Yasuda, Yuta; Nagashima, Eri; Arai, Hidekazu; Matsunaga, Satoshi; Nomiya, Kenji
• Journal of publication: Inorganics
• Year of publication: 2014
• Journal volume: 2
• Journal issue: 4
• Pages of publication: 660
• a: 20.3813 ± 0.0007 Å
• b: 20.3813 ± 0.0007 Å
• c: 36.679 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13195.1 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No