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Information card for entry 7038174
Preview
Coordinates | 7038174.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C9 H21 F6 O6 P3 S2 |
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Calculated formula | C9 H21 F6 O6 P3 S2 |
SMILES | P([P+](C)(C)C)([P+](C)(C)C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F |
Title of publication | 2-Phosphino-1,3-diphosphonium ions. |
Authors of publication | Gray, Paul A.; Carpenter, Yuen-Ying; Burford, Neil; McDonald, Robert |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 5 |
Pages of publication | 2124 - 2129 |
a | 13.2969 ± 0.0019 Å |
b | 11.435 ± 0.0017 Å |
c | 13.956 ± 0.002 Å |
α | 90° |
β | 108.869 ± 0.0016° |
γ | 90° |
Cell volume | 2008 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0272 |
Residual factor for significantly intense reflections | 0.0253 |
Weighted residual factors for significantly intense reflections | 0.0684 |
Weighted residual factors for all reflections included in the refinement | 0.0699 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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