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Information card for entry 1519170
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| Coordinates | 1519170.cif |
|---|
| Formula | C25 H18 Fe2 S5 |
|---|---|
| Calculated formula | C25 H18 Fe2 S5 |
| Title of publication | C25H18Fe2S5 |
| Authors of publication | Underhill, Allan E.; Coles, Simon J.; Hursthouse, Michael B. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 1996 |
| Pages of publication | 764 |
| a | 9.939 ± 0.002 Å |
| b | 11.4042 ± 0.001 Å |
| c | 12.063 ± 0.009 Å |
| α | 66.46 ± 0.02° |
| β | 66.861 ± 0.01° |
| γ | 74.49 ± 0.02° |
| Cell volume | 1142.7 ± 0.9 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0408 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for all reflections | 0.0851 |
| Weighted residual factors for significantly intense reflections | 0.0827 |
| Goodness-of-fit parameter for all reflections | 0.998 |
| Goodness-of-fit parameter for significantly intense reflections | 1.049 |
| Diffraction radiation wavelength | 0.71069 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. |
1519170.cif |
| 135486 | 2015-05-04 | cif/ Adding structures of 1519170 via cif-deposit CGI script. |
1519170.cif |
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Users of the data should acknowledge the original authors of the
structural data.