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Information card for entry 4319166
Preview
| Coordinates | 4319166.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Ph3PMe]5[(Cl4cat)4(Et3P)4(DMF)K3Mo4Fe12S20].4.5DMF.0.5Et2O |
|---|---|
| Formula | C161.5 H193.5 Cl16 Fe12 K3 Mo4 N5.5 O14 P9 S20 |
| Calculated formula | C161.502 H193.5 Cl16 Fe12 K3 Mo4 N5.5 O14 P9 S20 |
| Title of publication | Molybdenum-Iron-Sulfur Clusters of Nuclearities Eight and Sixteen, Including a Topological Analogue of the P-Cluster of Nitrogenase |
| Authors of publication | Frank Osterloh; Catalina Achim; R. H. Holm |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 224 - 232 |
| a | 19.644 ± 0.004 Å |
| b | 20.548 ± 0.004 Å |
| c | 51.4 ± 0.01 Å |
| α | 90° |
| β | 91.33 ± 0.03° |
| γ | 90° |
| Cell volume | 20742 ± 7 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 10 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1055 |
| Residual factor for significantly intense reflections | 0.0573 |
| Weighted residual factors for significantly intense reflections | 0.1282 |
| Weighted residual factors for all reflections included in the refinement | 0.1446 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194045 (current) | 2017-03-07 | cod/ (antanas@echidna.ibt.lt) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5041). The correction was mainly focused on removing misspelt versions of the '_publ_author_name' and '_publ_author_address' data items. |
4319166.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4319166.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4319166.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4319166.cif |
| 15898 | 2011-03-19 | ../uploads/cif-deposit/cod/cif Adding structures of 4319166 via cif-deposit CGI script. |
4319166.cif |
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