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Information card for entry 7113470
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| Coordinates | 7113470.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 3,5,6,6-tetraphenyl-2-thia-1-phosphabicyclo(3.1.0)hex-3-ene P- (pentacarbonyl)tungsten |
|---|---|
| Chemical name | 3,5,6,6-tetraphenyl-2-thia-1-phosphabicyclo[3.1.0]hex-3-ene 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(C2(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].[W]([P@@]12SC(=C[C@@]1(C2(c1ccccc1)c1ccccc1)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 | 11.159 ± 0.003 Å |
| b | 11.268 ± 0.003 Å |
| c | 13.387 ± 0.004 Å |
| α | 69.34 ± 0.03° |
| β | 79.86 ± 0.03° |
| γ | 69.31 ± 0.03° |
| Cell volume | 1470.9 ± 0.8 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0273 |
| Residual factor for significantly intense reflections | 0.024 |
| Weighted residual factors for significantly intense reflections | 0.0542 |
| Weighted residual factors for all reflections included in the refinement | 0.0552 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7104904 |
| 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. |
7113470.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. |
7113470.cif |
| 115082 | 2014-06-02 | cif/ Adding structures of 7113469, 7113470 via cif-deposit CGI script. |
7113470.cif |
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