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Information card for entry 4314776
Preview
| Coordinates | 4314776.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Fe(HPClNOL)Cl2]NO3 |
|---|---|
| Formula | C15 H18 Cl3 Fe N4 O4 |
| Calculated formula | C15 H18 Cl3 Fe N4 O4 |
| SMILES | C1c2cccc[n]2[Fe]23([N]1(Cc1cccc[n]21)CC(CCl)[OH]3)(Cl)Cl.N(=O)(=O)[O-] |
| Title of publication | An Iron-Based Cytosolic Catalase and Superoxide Dismutase Mimic Complex |
| Authors of publication | Adolfo Horn; Gabrieli L. Parrilha; Karen V. Melo; Christiane Fernandes; Manfredo Horner; Lorenzo do C. Visentin; Jullyane A. S. Santos; Monique S. Santos; Elis C.A. Eleutherio; Marcos D. Pereira |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 1274 - 1276 |
| a | 8.7751 ± 0.0003 Å |
| b | 9.0778 ± 0.0004 Å |
| c | 24.3869 ± 0.001 Å |
| α | 90° |
| β | 93.37 ± 0.002° |
| γ | 90° |
| Cell volume | 1939.27 ± 0.13 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0437 |
| Residual factor for significantly intense reflections | 0.0293 |
| Weighted residual factors for significantly intense reflections | 0.0772 |
| Weighted residual factors for all reflections included in the refinement | 0.083 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4314776.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4314776.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4314776.cif |
| 7919 | 2011-02-03 | ../uploads/cif-deposit/cod/cif Adding structures of 4314776 via cif-deposit CGI script. |
4314776.cif |
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Users of the data should acknowledge the original authors of the
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