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Information card for entry 7711901
Preview
| Coordinates | 7711901.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | η2-{bis(diphenylphosphanyl)ethyne}-carbonyl-hydrido{tris(3,4,5-trimethylpyrazolyl)borato}-2-pyridinemethanethiolato-tungsten(II) |
|---|---|
| Formula | C51 H54 B Cl2 N7 O P2 S W |
| Calculated formula | C51 H54 B N7 O P2 S W |
| SMILES | [W]123(SCc4ncccc4)([n]4n([BH](n5[n]1c(c(c5C)C)C)n1[n]2c(c(c1C)C)C)c(c(c4C)C)C)([C](#[C]3P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1)C#[O] |
| Title of publication | Tuning the potential of redox-active diphosphine ligands based on the alkyne complexes [Tp*W(CO)L{η<sup>2</sup>-C<sub>2</sub>(PPh<sub>2</sub>)<sub>2</sub>}]. |
| Authors of publication | Ludwig, Stephan; Hamann, Friederike M.; Helmdach, Kai; Villinger, Alexander; Seidel, Wolfram W. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2023 |
| Journal volume | 52 |
| Journal issue | 2 |
| Pages of publication | 326 - 337 |
| a | 13.4082 ± 0.0013 Å |
| b | 13.677 ± 0.0013 Å |
| c | 16.9058 ± 0.0016 Å |
| α | 100.82 ± 0.003° |
| β | 94.524 ± 0.004° |
| γ | 113.869 ± 0.003° |
| Cell volume | 2743 ± 0.5 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0596 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.0821 |
| Weighted residual factors for all reflections included in the refinement | 0.0895 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283291 (current) | 2023-05-05 | cif/ Updating files of 7711895, 7711896, 7711897, 7711898, 7711899, 7711900, 7711901, 7711902, 7711903, 7711904, 7711905, 7711906, 7711907, 7711908, 7711909 Original log message: Adding full bibliography for 7711895--7711909.cif. |
7711901.cif |
| 279844 | 2022-12-13 | cif/ Adding structures of 7711895, 7711896, 7711897, 7711898, 7711899, 7711900, 7711901, 7711902, 7711903, 7711904, 7711905, 7711906, 7711907, 7711908, 7711909 via cif-deposit CGI script. |
7711901.cif |
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