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Information card for entry 4089646
Preview
| Coordinates | 4089646.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H64 B2 K N3 P2 |
|---|---|
| Calculated formula | C29 H64 B2 K N3 P2 |
| Title of publication | Synthesis and Structural Characterization of Phosphine–Borane-Stabilized Dicarbanions with either Rigid or Flexible Spacers |
| Authors of publication | Izod, Keith; Dixon, Casey M.; McMeekin, Emma; Rodgers, Lee; Harrington, Ross W.; Baisch, Ulrich |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 33 |
| Journal issue | 1 |
| Pages of publication | 378 |
| a | 16.4751 ± 0.001 Å |
| b | 11.6808 ± 0.0005 Å |
| c | 19.7554 ± 0.0009 Å |
| α | 90° |
| β | 110.357 ± 0.006° |
| γ | 90° |
| Cell volume | 3564.3 ± 0.3 Å3 |
| Cell temperature | 150.15 K |
| Ambient diffraction temperature | 150.15 K |
| Number of distinct elements | 6 |
| 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 | 0.0597 |
| Residual factor for significantly intense reflections | 0.0415 |
| Weighted residual factors for significantly intense reflections | 0.0913 |
| Weighted residual factors for all reflections included in the refinement | 0.1012 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4089646.cif |
| 243713 | 2019-11-26 | cif/ Adding structures of 4089644, 4089645, 4089646, 4089647, 4089648, 4089649, 4089650, 4089651, 4089652 via cif-deposit CGI script. |
4089646.cif |
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Users of the data should acknowledge the original authors of the
structural data.