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Information card for entry 7027427
Preview
Coordinates | 7027427.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H36 Br6 N6 P2 S3 |
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Calculated formula | C12 H36 Br6 N6 P2 S3 |
SMILES | Br[Br-]Br.Br[Br-]Br.S(SS[P+](N(C)C)(N(C)C)N(C)C)[P+](N(C)C)(N(C)C)N(C)C |
Title of publication | The reaction of the tertiary phosphine sulfides R3PS (R = Ph, Me2N or C6H11) with X2 (X2 = I2, Br2, IBr or ICl); structural characterisation of the CT complexes (Me2N)3PSI2 and Ph3PS(I0.89Br0.11)Br and the ionic compound [{(Me2N)3PS}2S]2+ 2[Br3]− |
Authors of publication | Cross, Wendy I.; Godfrey, Stephen M.; Jackson, Sheena L.; McAuliffe, Charles A.; Pritchard, Robin G. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 13 |
Pages of publication | 2225 |
a | 8.429 ± 0.002 Å |
b | 9.972 ± 0.002 Å |
c | 19.282 ± 0.004 Å |
α | 80.66 ± 0.02° |
β | 81.18 ± 0.02° |
γ | 74.33 ± 0.02° |
Cell volume | 1529.5 ± 0.6 Å3 |
Cell temperature | 203 ± 2 K |
Ambient diffraction temperature | 203 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1048 |
Residual factor for significantly intense reflections | 0.0544 |
Weighted residual factors for significantly intense reflections | 0.1176 |
Weighted residual factors for all reflections included in the refinement | 0.1386 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7027427.html
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