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Information card for entry 4319167
Preview
| Coordinates | 4319167.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Et4N]4[(Cl4cat)2Mo2Fe6S8(PEt3)6][(Cl4cat)2Mo2Fe6S8(PEt3)6]3.2Et2O.2MeCN |
|---|---|
| Formula | C232 H456 Cl32 Fe24 Mo8 N6 O17 P24 S32 |
| Calculated formula | C232 H456 Cl32 Fe24 Mo8 N6 O17 P24 S32 |
| 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 | 13.31 ± 0.003 Å |
| b | 23.69 ± 0.005 Å |
| c | 31.33 ± 0.006 Å |
| α | 102.81 ± 0.03° |
| β | 98.81 ± 0.03° |
| γ | 92.83 ± 0.03° |
| Cell volume | 9484 ± 4 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1306 |
| Residual factor for significantly intense reflections | 0.0674 |
| Weighted residual factors for significantly intense reflections | 0.1509 |
| Weighted residual factors for all reflections included in the refinement | 0.1902 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4319167.cif |
| 179271 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/91. |
4319167.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4319167.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4319167.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
4319167.cif |
| 15899 | 2011-03-19 | ../uploads/cif-deposit/cod/cif Adding structures of 4319167 via cif-deposit CGI script. |
4319167.cif |
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