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Information card for entry 4346780
Preview
| Coordinates | 4346780.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H45 B2 Co F8 N13 P2 |
|---|---|
| Calculated formula | C38 H45 B2 Co F8 N13 P2 |
| Title of publication | Flexibility is Key: Synthesis of a Tripyridylamine (TPA) Congener with a Phosphorus Apical Donor and Coordination to Cobalt(II). |
| Authors of publication | Thammavongsy, Zachary; Khosrowabadi Kotyk, Juliet F.; Tsay, Charlene; Yang, Jenny Y. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 23 |
| Pages of publication | 11505 - 11510 |
| a | 11.4079 ± 0.0004 Å |
| b | 19.1421 ± 0.0007 Å |
| c | 20.4935 ± 0.0008 Å |
| α | 89.209 ± 0.001° |
| β | 77.512 ± 0.001° |
| γ | 87.068 ± 0.001° |
| Cell volume | 4363.6 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.064 |
| Residual factor for significantly intense reflections | 0.0493 |
| Weighted residual factors for significantly intense reflections | 0.133 |
| Weighted residual factors for all reflections included in the refinement | 0.1431 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4346780.cif |
| 231978 | 2019-11-23 | cif/ Adding structures of 4346780 via cif-deposit CGI script. |
4346780.cif |
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Users of the data should acknowledge the original authors of the
structural data.