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Information card for entry 7700184
Preview
| Coordinates | 7700184.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H27 N6 P |
|---|---|
| Calculated formula | C18 H27 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 | 8.1293 ± 0.0016 Å |
| b | 8.6311 ± 0.0017 Å |
| c | 15.582 ± 0.003 Å |
| α | 77.76 ± 0.03° |
| β | 86.99 ± 0.03° |
| γ | 66.4 ± 0.03° |
| Cell volume | 978.5 ± 0.4 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0486 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.112 |
| Weighted residual factors for all reflections included in the refinement | 0.1196 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| 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. |
7700184.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. |
7700184.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. |
7700184.cif |
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Users of the data should acknowledge the original authors of the
structural data.