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Information card for entry 1548584
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Coordinates | 1548584.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 2.2.4 bis(diphenylarsane)ethane bis[chloridogold(I)] |
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Formula | C26 H24 As2 Au2 Cl2 |
Calculated formula | C26 H24 As2 Au2 Cl2 |
SMILES | [Au](Cl)[As](c1ccccc1)(c1ccccc1)CC[As](c1ccccc1)(c1ccccc1)[Au]Cl |
Title of publication | Synthesis, Spectral Characterization and Crystals Structure of some Arsane Derivatives of Gold (I) Complexes: A Comparative Density Functional Theory Study |
Authors of publication | Omar bin Shawkataly; Chin-Ping Goh; Abu Tariq; Imthyaz Ahmad Khan; Hoong-Kun Fun; Mohd Mustaqim Rosli |
Journal of publication | Plos One |
Year of publication | 2015 |
Journal volume | 10 |
Pages of publication | e0119620 |
a | 17.4293 ± 0.0004 Å |
b | 14.8826 ± 0.0004 Å |
c | 11.5267 ± 0.0003 Å |
α | 90° |
β | 116.607 ± 0.002° |
γ | 90° |
Cell volume | 2673.31 ± 0.13 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
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 | 0.0398 |
Residual factor for significantly intense reflections | 0.028 |
Weighted residual factors for significantly intense reflections | 0.0675 |
Weighted residual factors for all reflections included in the refinement | 0.0728 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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