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Information card for entry 1553984
Preview
Coordinates | 1553984.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C104 H96 Au8 Cl10 P8 S2 |
---|---|
Calculated formula | C104 H96 Au8 Cl10 P8 S2 |
SMILES | c1(ccccc1)[P]1(c2ccccc2)[Au]2345[S]6[Au]78[P](C[P](c9ccccc9)(c9ccccc9)[Au]9%1027[S]2[Au]5([P](C1)(c1ccccc1)c1ccccc1)[Au]12[P](c2ccccc2)(c2ccccc2)C[P]([Au]391[Au]14%10[P](C[P]([Au]681)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl.[Cl-].C(Cl)Cl.C(Cl)Cl.[Cl-] |
Title of publication | Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters. |
Authors of publication | Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di |
Journal of publication | Chemical science |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 5 |
Pages of publication | 1251 - 1258 |
a | 29.9954 ± 0.001 Å |
b | 27.188 ± 0.0009 Å |
c | 29.1016 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 23732.8 ± 1.3 Å3 |
Cell temperature | 183.01 ± 0.1 K |
Ambient diffraction temperature | 183.01 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 68 |
Hermann-Mauguin space group symbol | C c c a :2 |
Hall space group symbol | -C 2a 2ac |
Residual factor for all reflections | 0.0554 |
Residual factor for significantly intense reflections | 0.0393 |
Weighted residual factors for significantly intense reflections | 0.0879 |
Weighted residual factors for all reflections included in the refinement | 0.0942 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1553984.html
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