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Information card for entry 4321674
Preview
Coordinates | 4321674.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | As2 F12 S8 |
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Calculated formula | As2 F12 S8 |
SMILES | [As](F)(F)(F)(F)(F)[F-].[As](F)(F)(F)(F)(F)[F-].S1SSSSSSS1 |
Title of publication | Bonding, Structure, and Energetics of Gaseous E82+ and of Solid E8(AsF6)2 (E = S, Se) |
Authors of publication | T. Stanley Cameron; Robert J. Deeth; Isabelle Dionne; Hongbin Du; H. Donald B. Jenkins; Ingo Krossing; Jack Passmore; Helen K. Roobottom |
Journal of publication | Inorganic Chemistry |
Year of publication | 2000 |
Journal volume | 39 |
Pages of publication | 5614 - 5631 |
a | 14.986 ± 0.002 Å |
b | 13.396 ± 0.002 Å |
c | 16.351 ± 0.002 Å |
α | 90° |
β | 108.12 ± 0.01° |
γ | 90° |
Cell volume | 3119.7 ± 0.8 Å3 |
Cell temperature | 213.2 K |
Ambient diffraction temperature | 213.2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0292 |
Residual factor for significantly intense reflections | 0.029 |
Weighted residual factors for all reflections | 0.03 |
Weighted residual factors for all reflections included in the refinement | 0.03 |
Goodness-of-fit parameter for all reflections | 1.386 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.39 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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