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Information card for entry 7027176
Preview
Coordinates | 7027176.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H25 Fe2 N P2 S3 |
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Calculated formula | C27 H25 Fe2 N P2 S3 |
SMILES | [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)[P@@]1(=S)S[P@@](=S)(N1Cc1ccccc1)[c]12[Fe]349%10%11%12%13([cH]1[cH]3[cH]4[cH]29)[cH]1[cH]%13[cH]%12[cH]%11[cH]%101)[cH]1[cH]8[cH]7[cH]6[cH]51.[Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)[P@]1(=S)S[P@](=S)(N1Cc1ccccc1)[c]12[Fe]349%10%11%12%13([cH]1[cH]3[cH]4[cH]29)[cH]1[cH]%13[cH]%12[cH]%11[cH]%101)[cH]1[cH]8[cH]7[cH]6[cH]51 |
Title of publication | The reaction of dithiadiphosphetane disulfides with dienes, alkenes and thioaldehydes |
Authors of publication | St. John Foreman, Mark R.; Slawin, Alexandra M. Z.; Woollins, J. Derek |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 7 |
Pages of publication | 1175 |
a | 7.347 ± 0.002 Å |
b | 14.262 ± 0.003 Å |
c | 25.66 ± 0.002 Å |
α | 90 ± 0.01° |
β | 95.75 ± 0.01° |
γ | 90 ± 0.02° |
Cell volume | 2675.2 ± 0.9 Å3 |
Cell temperature | 293.2 K |
Ambient diffraction temperature | 293.2 K |
Number of distinct elements | 6 |
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 | 0.0596 |
Residual factor for significantly intense reflections | 0.0596 |
Weighted residual factors for all reflections | 0.0582 |
Weighted residual factors for all reflections included in the refinement | 0.0582 |
Goodness-of-fit parameter for all reflections | 2.316 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.316 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
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/7027176.html
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