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Information card for entry 1519201
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| Coordinates | 1519201.cif |
|---|
| Formula | C27 H22 Br Fe1.5 Si |
|---|---|
| Calculated formula | C27 H22 Br Fe1.5 Si |
| Title of publication | C27H22BrFe1.50Si |
| Authors of publication | Butler, Ian R.; Coles, Simon J.; Hursthouse, Michael B. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 1998 |
| Pages of publication | 754 |
| a | 13.275 ± 0.003 Å |
| b | 10.233 ± 0.002 Å |
| c | 17.999 ± 0.004 Å |
| α | 90° |
| β | 111.6 ± 0.03° |
| γ | 90° |
| Cell volume | 2273.3 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1453 |
| Residual factor for significantly intense reflections | 0.0833 |
| Weighted residual factors for all reflections | 0.2543 |
| Weighted residual factors for significantly intense reflections | 0.2186 |
| Goodness-of-fit parameter for all reflections | 0.965 |
| Goodness-of-fit parameter for significantly intense reflections | 1.206 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1519201.cif |
| 135518 | 2015-05-05 | cif/ Adding structures of 1519201 via cif-deposit CGI script. |
1519201.cif |
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Users of the data should acknowledge the original authors of the
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