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Information card for entry 7043646
Preview
| Coordinates | 7043646.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16.33 H15.33 Cl2 Fe0.67 N1.33 O2 S1.33 |
|---|---|
| Calculated formula | C16.3333 H15.3333 Cl2 Fe0.666667 N1.33333 O2 S1.33333 |
| Title of publication | Substitution reactions of iron(ii) carbamoyl-thioether complexes related to mono-iron hydrogenase |
| Authors of publication | Xie, Zhu-Lin; Durgaprasad, Gummadi; Ali, Azim K.; Rose, Michael J. |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 17.0361 ± 0.0006 Å |
| b | 14.2521 ± 0.0005 Å |
| c | 26.0871 ± 0.0009 Å |
| α | 90° |
| β | 90.091 ± 0.003° |
| γ | 90° |
| Cell volume | 6333.9 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.096 |
| Residual factor for significantly intense reflections | 0.0719 |
| Weighted residual factors for significantly intense reflections | 0.1838 |
| Weighted residual factors for all reflections included in the refinement | 0.2048 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198772 (current) | 2017-07-18 | cif/ Adding structures of 7043643, 7043644, 7043645, 7043646, 7043647, 7043648, 7043649, 7043650, 7043651 via cif-deposit CGI script. |
7043646.cif |
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Users of the data should acknowledge the original authors of the
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