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Information card for entry 2232037
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| Coordinates | 2232037.cif |
|---|---|
| Structure factors | 2232037.hkl |
| Original IUCr paper | HTML |
| Common name | dichlorotricarbonyl[bis(4-methylthiazol-2-yl)methane]tungsten(II) |
|---|---|
| Chemical name | [Bis(4-methyl-1,3-thiazol-2-yl- κ<i>N</i>)methane]tricarbonyldichloridotungsten(II) |
| Formula | C12 H10 Cl2 N2 O3 S2 W |
| Calculated formula | C12 H10 Cl2 N2 O3 S2 W |
| SMILES | [W]1(Cl)([n]2c(scc2C)Cc2scc([n]12)C)(C#[O])(Cl)(C#[O])C#[O] |
| Title of publication | [Bis(4-methyl-1,3-thiazol-2-yl-κ<i>N</i>)methane]tricarbonyldichloridotungsten(II) |
| Authors of publication | Strasser, Christoph E.; Cronje, Stephanie; Raubenheimer, Helgard G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | m1460 |
| a | 8.6876 ± 0.0017 Å |
| b | 12.912 ± 0.002 Å |
| c | 14.851 ± 0.003 Å |
| α | 90° |
| β | 105.55 ± 0.003° |
| γ | 90° |
| Cell volume | 1604.9 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0508 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.0955 |
| Weighted residual factors for all reflections included in the refinement | 0.0992 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181242 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/20. |
2232037.cif 2232037.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232037.cif 2232037.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232037.cif 2232037.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. | 2232037.cif 2232037.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2232037.cif 2232037.hkl |
| 29326 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232037 via cif-deposit CGI script. |
2232037.cif |
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Users of the data should acknowledge the original authors of the
structural data.