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Information card for entry 7007791
Preview
| Coordinates | 7007791.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C108 H105 As4 Cu4 O3 P4 S6 |
|---|---|
| Calculated formula | C108 H105 As4 Cu4 O3 P4 S6 |
| SMILES | [As]12([Cu]3([S]4[As]([Cu]5([S]2[Cu]2([As]6(S[As]([Cu]4([S]56)[P](c4ccccc4)(c4ccccc4)c4ccccc4)([S]32)c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)(S1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.C1CCCO1.C1CCCO1.C1CCCO1 |
| Title of publication | Copper-mediated cleavage of disulfides by tertiary phosphines: a new route to As-S anions. |
| Authors of publication | Langer, Robert; Shi, Weifeng; Rothenberger, Alexander |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 37 |
| Pages of publication | 4435 - 4437 |
| a | 26.626 ± 0.002 Å |
| b | 19.8281 ± 0.0009 Å |
| c | 19.0953 ± 0.001 Å |
| α | 90° |
| β | 99.87 ± 0.005° |
| γ | 90° |
| Cell volume | 9932 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1014 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.1032 |
| Weighted residual factors for all reflections included in the refinement | 0.1174 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.939 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179781 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/77. |
7007791.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7007791.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7007791.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7007791.cif |
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Users of the data should acknowledge the original authors of the
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