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Information card for entry 7711898
Preview
| Coordinates | 7711898.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | η2-{bis(diphenylphosphanyl)ethyne}-carbonyl-fluorido-hydrido{tris(3,4,5-trimethylpyrazolyl)borato}-tungsten(II) |
|---|---|
| Formula | C47 H50 B Cl6 F N6 O P2 W |
| Calculated formula | C45 H48 B F N6 O P2 W |
| SMILES | [W]123(F)([n]4n([BH](n5[n]1c(C)c(c5C)C)n1[n]2c(C)c(c1C)C)c(c(c4C)C)C)([C](P(c1ccccc1)c1ccccc1)#[C]3P(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 | 11.5877 ± 0.001 Å |
| b | 13.9252 ± 0.0012 Å |
| c | 16.8414 ± 0.0015 Å |
| α | 86.448 ± 0.004° |
| β | 78.987 ± 0.004° |
| γ | 68.149 ± 0.004° |
| Cell volume | 2475.7 ± 0.4 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 | 0.0424 |
| Residual factor for significantly intense reflections | 0.0319 |
| Weighted residual factors for significantly intense reflections | 0.0721 |
| Weighted residual factors for all reflections included in the refinement | 0.076 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7711898.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. |
7711898.cif |
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