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Information card for entry 7224190
Preview
| Coordinates | 7224190.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | CpFe(CO)2NCS |
|---|---|
| Formula | C8 H5 Fe N O2 S |
| Calculated formula | C8 H5 Fe N O2 S |
| SMILES | [cH]12[cH]3[cH]4[Fe]513([cH]2[cH]45)(C#[O])(C#[O])N=C=S |
| Title of publication | Cyclopentadienyl iron dicarbonyl (CpFe(CO)2) derivatives as apoptosis-inducing agents |
| Authors of publication | Poh, Hwa Tiong; Ho, Chi Lui Paul; Fan, Wai Yip |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 6.324 ± 0.001 Å |
| b | 8.9082 ± 0.0014 Å |
| c | 7.8468 ± 0.0012 Å |
| α | 90° |
| β | 91.684 ± 0.004° |
| γ | 90° |
| Cell volume | 441.86 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0405 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0783 |
| Weighted residual factors for all reflections included in the refinement | 0.1073 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.236 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176326 (current) | 2016-02-10 | cif/ Adding structures of 7224190, 7224191 via cif-deposit CGI script. |
7224190.cif |
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