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Information card for entry 4089650
Preview
| Coordinates | 4089650.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H38 B2 P2 Si2 |
|---|---|
| Calculated formula | C12 H38 B2 P2 Si2 |
| SMILES | C[P](C[Si](CC[Si](C[P]([BH3])(C)C)(C)C)(C)C)([BH3])C |
| 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 | 6.1097 ± 0.0007 Å |
| b | 6.3338 ± 0.0009 Å |
| c | 15.3651 ± 0.0014 Å |
| α | 93.414 ± 0.009° |
| β | 90.514 ± 0.008° |
| γ | 117.629 ± 0.013° |
| Cell volume | 525.41 ± 0.12 Å3 |
| Cell temperature | 150.15 K |
| Ambient diffraction temperature | 150.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0416 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0885 |
| Weighted residual factors for all reflections included in the refinement | 0.0927 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4089650.cif |
| 243713 | 2019-11-26 | cif/ Adding structures of 4089644, 4089645, 4089646, 4089647, 4089648, 4089649, 4089650, 4089651, 4089652 via cif-deposit CGI script. |
4089650.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.