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Information card for entry 1519158
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| Coordinates | 1519158.cif |
|---|
| Formula | C24 H16 Fe Mo N2 O4 |
|---|---|
| Calculated formula | C24 H16 Fe Mo N2 O4 |
| Title of publication | C24H16FeMoN2O4 |
| Authors of publication | Butler, Ian. R.; Hursthouse, Michael B.; Coles, Simon J. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 1995 |
| Pages of publication | 800 |
| a | 12.839 ± 0.004 Å |
| b | 12.9785 ± 0.001 Å |
| c | 12.9803 ± 0.0015 Å |
| α | 90° |
| β | 95.693 ± 0.01° |
| γ | 90° |
| Cell volume | 2152.3 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0751 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for all reflections | 0.0872 |
| Weighted residual factors for significantly intense reflections | 0.0772 |
| Goodness-of-fit parameter for all reflections | 0.76 |
| Goodness-of-fit parameter for significantly intense reflections | 0.924 |
| 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. |
1519158.cif |
| 135470 | 2015-04-30 | cif/ Adding structures of 1519158 via cif-deposit CGI script. |
1519158.cif |
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Users of the data should acknowledge the original authors of the
structural data.