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Information card for entry 2018155
Preview
| Coordinates | 2018155.cif |
|---|---|
| Structure factors | 2018155.hkl |
| Original IUCr paper | HTML |
| Chemical name | [1,2-bis(isopropylsulfanyl)ethane-2κ^2^<i>S</i>,<i>S</i>']octachlorido- 1κ^5^<i>Cl</i>,2κ^3^<i>Cl</i>-μ-oxido-ditantalum(V) |
|---|---|
| Formula | C8 H18 Cl8 O S2 Ta2 |
| Calculated formula | C8 H18 Cl8 O S2 Ta2 |
| SMILES | [Ta]1(Cl)(Cl)(Cl)(O[Ta](Cl)(Cl)(Cl)(Cl)Cl)[S](C(C)C)CC[S]1C(C)C |
| Title of publication | [Cl~5~Ta(μ-O)TaCl~3~{^<i>i^</i>PrS(CH~2~)~2~S^<i>i^</i>Pr}] and [(TaCl~4~)~2~(μ-O)(μ-Me~2~Se~2~)]: two chalcogenoether complexes of Ta~2~OCl~8~ with very different geometries |
| Authors of publication | Benjamin, Sophie L.; Hyslop, Alison; Levason, William; Webster, Michael |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 7 |
| Pages of publication | m221 - m223 |
| a | 15.684 ± 0.003 Å |
| b | 13.007 ± 0.002 Å |
| c | 21.981 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4484.2 ± 1.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0479 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0668 |
| Weighted residual factors for all reflections included in the refinement | 0.0724 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209315 (current) | 2018-07-31 | cif/2/ Updating space group information in entries 2018155, 2108125. |
2018155.cif 2018155.hkl |
| 180850 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/81. |
2018155.cif 2018155.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018155.cif 2018155.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018155.cif 2018155.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. | 2018155.cif 2018155.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2018155.cif 2018155.hkl |
| 23417 | 2011-08-08 | hkl/ Adding Fobs data for the recently deposited coordinates from IUCr. |
2018155.cif 2018155.hkl |
| 23195 | 2011-08-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2018155, 2018156 via cif-deposit CGI script. |
2018155.cif |
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