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Information card for entry 1519134
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| Coordinates | 1519134.cif |
|---|
| Formula | C22 H21 Fe I N2 |
|---|---|
| Calculated formula | C22 H21 Fe I N2 |
| Title of publication | C22H21FeIN2 |
| Authors of publication | Butler, Ian R.; Coles, Simon J.; Hursthouse, Michael B. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 1994 |
| Pages of publication | 1018 |
| a | 10.928 ± 0.006 Å |
| b | 9.691 ± 0.003 Å |
| c | 19.208 ± 0.009 Å |
| α | 90° |
| β | 93.89 ± 0.03° |
| γ | 90° |
| Cell volume | 2029.5 ± 1.6 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.09 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.0899 |
| Weighted residual factors for all reflections included in the refinement | 0.0989 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.787 |
| 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. |
1519134.cif |
| 135446 | 2015-04-30 | cif/ Adding structures of 1519134 via cif-deposit CGI script. |
1519134.cif |
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Users of the data should acknowledge the original authors of the
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