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Information card for entry 2228059
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| Coordinates | 2228059.cif |
|---|---|
| Structure factors | 2228059.hkl |
| Original IUCr paper | HTML |
| Common name | tantalum pentabromide |
|---|---|
| Chemical name | di-μ-bromido-bis[tetrabromidotantalum(V)] |
| Formula | Br10 Ta2 |
| Calculated formula | Br10 Ta2 |
| SMILES | [Ta]1(Br)(Br)(Br)(Br)[Br][Ta](Br)(Br)(Br)(Br)[Br]1 |
| Title of publication | Redetermination of tantalum pentabromide, (TaBr~5~)~2~ |
| Authors of publication | Habermehl, Katja; Pantenburg, Ingo; Meyer, Gerd |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 9 |
| Pages of publication | i67 |
| a | 19.433 ± 0.003 Å |
| b | 18.775 ± 0.002 Å |
| c | 6.2034 ± 0.001 Å |
| α | 90° |
| β | 90.716 ± 0.013° |
| γ | 90° |
| Cell volume | 2263.2 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.076 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.0968 |
| Weighted residual factors for all reflections included in the refinement | 0.1094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.949 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181201 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/80. |
2228059.cif 2228059.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228059.cif 2228059.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228059.cif 2228059.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2228059.cif 2228059.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228059.cif 2228059.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2228059.cif 2228059.hkl |
| 5096 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2228059 via cif-deposit CGI script. |
2228059.cif |
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Users of the data should acknowledge the original authors of the
structural data.