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Information card for entry 1519341
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| Coordinates | 1519341.cif |
|---|
| Formula | C16 H16 Cl N2 P Pd S |
|---|---|
| Calculated formula | C16 H16 Cl N2 P Pd S |
| SMILES | c1csc2[n]1[Pd](C)([P](c1ccccc1)(c1ccccc1)N2)Cl |
| Title of publication | C16H16ClN2PPdS |
| Authors of publication | Smith, Martin B.; Coles, Simon J.; Hursthouse, Michael B. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 2001 |
| Pages of publication | 1024 |
| a | 11.628 ± 0.002 Å |
| b | 16.911 ± 0.003 Å |
| c | 17.514 ± 0.004 Å |
| α | 90° |
| β | 94.92 ± 0.03° |
| γ | 90° |
| Cell volume | 3431.3 ± 1.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0456 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0739 |
| Weighted residual factors for all reflections included in the refinement | 0.0792 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1519341.cif |
| 135692 | 2015-05-07 | cif/ Adding structures of 1519341 via cif-deposit CGI script. |
1519341.cif |
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Users of the data should acknowledge the original authors of the
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