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Information card for entry 4310078
Preview
| Coordinates | 4310078.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | mu4-sulfo-tetrakis(mu2,hapta2-disulfo)-octabromo-tetratantalum(IV,V) |
|---|---|
| Formula | Br8 S9 Ta4 |
| Calculated formula | Br8 S9 Ta4 |
| SMILES | S123[Ta]456([S]7[S]5[Ta]537([S]3[S]5[Ta]513([S]1[S]5[Ta]321([S]4[S]63)(Br)Br)(Br)Br)(Br)Br)(Br)Br |
| Title of publication | Synthesis and Structure of Ta4S9Br8. An Emergent Family of Early Transition Metal Chalcogenide Clusters |
| Authors of publication | Maxim N. Sokolov; Artem L. Gushchin; Pavel A. Abramov; Alexandr V. Virovets; Eugenia V. Peresypkina; Svetlana G. Kozlova; Boris A. Kolesov; Cristian Vicent; Vladimir P. Fedin |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 8756 - 8761 |
| a | 12.765 ± 0.005 Å |
| b | 12.765 ± 0.005 Å |
| c | 6.966 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1135.1 ± 0.9 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 107 |
| Hermann-Mauguin space group symbol | I 4 m m |
| Hall space group symbol | I 4 -2 |
| Residual factor for all reflections | 0.0488 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.0649 |
| Weighted residual factors for all reflections included in the refinement | 0.0695 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179139 (current) | 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 4/31/00. |
4310078.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4310078.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4310078.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4310078.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4310078.cif |
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Users of the data should acknowledge the original authors of the
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