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Information card for entry 7020767
Preview
Coordinates | 7020767.cif |
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Original paper (by DOI) | HTML |
Formula | C6 H4 Cl I3 Se |
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Calculated formula | C6 H4 Cl I3.0003 Se1.0003 |
Title of publication | The reactions of para-halo diaryl diselenides with halogens. A structural investigation of the CT compound (p-FC(6)H(4))(2)Se(2)I(2), and the first reported "RSeI(3)" compound, (p-ClC(6)H(4))SeI·I(2), which contains a covalent Se-I bond. |
Authors of publication | Barnes, Nicholas A.; Godfrey, Stephen M.; Hughes, Jill; Khan, Rana Z.; Mushtaq, Imrana; Ollerenshaw, Ruth T. A.; Pritchard, Robin G.; Sarwar, Shamsa |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 8 |
Pages of publication | 2735 - 2744 |
a | 5.8397 ± 0.0001 Å |
b | 9.5545 ± 0.0002 Å |
c | 11.6257 ± 0.0003 Å |
α | 105.613 ± 0.001° |
β | 101.455 ± 0.001° |
γ | 100.916 ± 0.002° |
Cell volume | 591.68 ± 0.02 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 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 | 0.0944 |
Residual factor for significantly intense reflections | 0.0634 |
Weighted residual factors for significantly intense reflections | 0.1474 |
Weighted residual factors for all reflections included in the refinement | 0.1851 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.126 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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