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Information card for entry 7700176
Preview
| Coordinates | 7700176.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H23 N6 P |
|---|---|
| Calculated formula | C16 H23 N6 P |
| Title of publication | Phosphine-functionalised tris(pyrazolyl)methane ligands and their mono- and heterobimetallic complexes. |
| Authors of publication | Wagner, Hanna E.; Hohnstein, Silvia; Schußmann, Max G; Steppe, Lukas A.; Breher, Frank |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 41 |
| Pages of publication | 15397 - 15407 |
| a | 8.983 ± 0.0018 Å |
| b | 11.438 ± 0.002 Å |
| c | 16.812 ± 0.003 Å |
| α | 90° |
| β | 97.07 ± 0.03° |
| γ | 90° |
| Cell volume | 1714.3 ± 0.6 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 4 |
| 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 | 0.0638 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.0938 |
| Weighted residual factors for all reflections included in the refinement | 0.1014 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7700176.cif |
| 223900 | 2019-11-07 | cif/ Updating files of 7700175, 7700176, 7700177, 7700178, 7700179, 7700180, 7700181, 7700182, 7700183, 7700184, 7700185 Original log message: Adding full bibliography for 7700175--7700185.cif. |
7700176.cif |
| 215725 | 2019-06-06 | cif/ Adding structures of 7700175, 7700176, 7700177, 7700178, 7700179, 7700180, 7700181, 7700182, 7700183, 7700184, 7700185 via cif-deposit CGI script. |
7700176.cif |
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Users of the data should acknowledge the original authors of the
structural data.