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Information card for entry 1504358
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1504358.cif |
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Original paper (by DOI) | HTML |
Common name | hexamethyldiphosphonium triflate |
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Formula | C8 H18 F6 O6 P2 S2 |
Calculated formula | C8 H18 F6 O6 P2 S2 |
Title of publication | Understanding the electronic structure, reactivity, and hydrogen bonding for a 1,2-diphosphonium dication. |
Authors of publication | Wolstenholme, David J.; Weigand, Jan J.; Davidson, Reagan J.; Pearson, Jason K.; Cameron, T. Stanley |
Journal of publication | The journal of physical chemistry. A |
Year of publication | 2008 |
Journal volume | 112 |
Journal issue | 15 |
Pages of publication | 3424 - 3431 |
a | 9.1795 ± 0.0004 Å |
b | 9.1795 ± 0.0004 Å |
c | 17.7956 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 1298.62 ± 0.11 Å3 |
Cell temperature | 123.1 ± 0.5 K |
Ambient diffraction temperature | 123.1 ± 0.5 K |
Number of distinct elements | 6 |
Space group number | 166 |
Hermann-Mauguin space group symbol | R -3 m :H |
Hall space group symbol | -R 3 2" |
Residual factor for all reflections | 0.027 |
Residual factor for significantly intense reflections | 0.021 |
Weighted residual factors for all reflections included in the refinement | 0.028 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.126 |
Diffraction radiation wavelength | 0.7107 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/1504358.html
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structural data.