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Information card for entry 8000197
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Coordinates | 8000197.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C144 H162 Ag6.66 Au18.34 S18 |
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Calculated formula | C144 H162 Ag6.658 Au18.342 S18 |
Title of publication | X-ray Crystal Structure and Theoretical Analysis of Au25‒xAgx(SCH2CH2Ph)18‒Alloy |
Authors of publication | Kumara, Chanaka; Aikens, Christine M.; Dass, Amala |
Journal of publication | The Journal of Physical Chemistry Letters |
Year of publication | 2014 |
Journal volume | 5 |
Journal issue | 3 |
Pages of publication | 461 |
a | 16.191 ± 0.007 Å |
b | 17.244 ± 0.007 Å |
c | 18.613 ± 0.007 Å |
α | 105.871 ± 0.012° |
β | 106.252 ± 0.013° |
γ | 90.74 ± 0.02° |
Cell volume | 4776 ± 3 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100.01 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.072 |
Residual factor for significantly intense reflections | 0.0411 |
Weighted residual factors for significantly intense reflections | 0.0934 |
Weighted residual factors for all reflections included in the refinement | 0.1065 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Diffraction radiation X-ray symbol | K-L~3~ |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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