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Information card for entry 4314879
Preview
| Coordinates | 4314879.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H44 Cl2 Fe N4.5 O2.75 S2 |
|---|---|
| Calculated formula | C37 H44 Cl2 Fe N4.5 O2.75 S2 |
| Title of publication | Binding of Nitric Oxide to a Synthetic Model of Iron-Containing Nitrile Hydratase (Fe-NHase) and Its Photorelease: Relevance to Photoregulation of Fe-NHase by NO |
| Authors of publication | Michael J. Rose; Nolan M. Betterley; Allen G. Oliver; Pradip K. Mascharak |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 1854 - 1864 |
| a | 13.4773 ± 0.0012 Å |
| b | 16.3851 ± 0.0015 Å |
| c | 18.9445 ± 0.0017 Å |
| α | 78.98 ± 0.001° |
| β | 79.4 ± 0.001° |
| γ | 72.81 ± 0.001° |
| Cell volume | 3886.5 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.092 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.0936 |
| Weighted residual factors for all reflections included in the refinement | 0.111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4314879.cif |
| 132619 | 2015-03-02 | cif/ (antanas@koala.ibt.lt) Fixing various typos in '_symmetry_space_group_name_Hall' tag for 18 CIFs in range 4. |
4314879.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4314879.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4314879.cif |
| 8022 | 2011-02-03 | ../uploads/cif-deposit/cod/cif Adding structures of 4314879 via cif-deposit CGI script. |
4314879.cif |
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Users of the data should acknowledge the original authors of the
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