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Information card for entry 7113469
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| Coordinates | 7113469.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2,3a,8-triphenyl-3a,8-dihydro-1-thia-8a- phosphacyclopenta(a)indene P-(pentacarbonyl)tungsten |
|---|---|
| Chemical name | 2,3a,8-triphenyl-3a,8-dihydro-1-thia-8a-phosphacyclopenta[a]indene P-(pentacarbonyl)tungsten |
| Formula | C33 H21 O5 P S W |
| Calculated formula | C33 H21 O5 P S W |
| SMILES | [W]([P@@]12SC(=C[C@@]1(c1ccccc1[C@H]2c1ccccc1)c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].[W]([P@]12SC(=C[C@]1(c1ccccc1[C@@H]2c1ccccc1)c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | Different thermal reactivity of a 1,2-thiaphospholo[a]phosphirane in free and metal carbonyl complexed form |
| Authors of publication | Jikyo, Tamaki; Maas, Gerhard |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2003 |
| Journal issue | 22 |
| Pages of publication | 2794 - 2795 |
| a | 8.8753 ± 0.0016 Å |
| b | 10.701 ± 0.002 Å |
| c | 30.832 ± 0.005 Å |
| α | 90° |
| β | 92.81 ± 0.02° |
| γ | 90° |
| Cell volume | 2924.7 ± 0.9 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0516 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0772 |
| Weighted residual factors for all reflections included in the refinement | 0.0816 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.977 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7104903 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209785 (current) | 2018-08-16 | cif/7/ Updating bibliography in entries 7104903-7104904, 7113469-7113470. Marking entries 7113469-7113470 as duplicates of entries 7104903-7104904. |
7113469.cif |
| 180248 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/34. |
7113469.cif |
| 115082 | 2014-06-02 | cif/ Adding structures of 7113469, 7113470 via cif-deposit CGI script. |
7113469.cif |
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