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Information card for entry 7001512
Preview
| Coordinates | 7001512.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C52 H72 Cl8 Fe2 N2 O7 S2 |
|---|---|
| Calculated formula | C52 H72 Cl8 Fe2 N2 O7 S2 |
| Title of publication | A convenient ligand exchange pathway to [2Fe–2S] ferredoxin analogues |
| Authors of publication | Ballmann, Joachim; Sun, Xianru; Dechert, Sebastian; Schneider, Benjamin; Meyer, Franc |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 25 |
| Pages of publication | 4908 - 4917 |
| a | 9.1684 ± 0.0005 Å |
| b | 16.8066 ± 0.0008 Å |
| c | 20.4441 ± 0.001 Å |
| α | 79.572 ± 0.004° |
| β | 81.551 ± 0.004° |
| γ | 77.079 ± 0.004° |
| Cell volume | 3001.1 ± 0.3 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 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 | 0.0486 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.095 |
| Weighted residual factors for all reflections included in the refinement | 0.0983 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7001512.cif |
| 179713 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/15. |
7001512.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7001512.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7001512.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7001512.cif |
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Users of the data should acknowledge the original authors of the
structural data.