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Information card for entry 7036544
Preview
| Coordinates | 7036544.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C11 H10 B2 Cl6 N2 |
|---|---|
| Calculated formula | C11 H10 B2 Cl6 N2 |
| SMILES | Cl[B](Cl)(Cl)[n]1ccccc1Cc1[n](cccc1)[B](Cl)(Cl)Cl |
| Title of publication | Group 13 complexes of dipyridylmethane, a forgotten ligand in coordination chemistry. |
| Authors of publication | Vasko, Petra; Kinnunen, Virva; O Moilanen, Jani; Roemmele, Tracey L.; Boeré, René T; Konu, Jari; Tuononen, Heikki M. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 41 |
| Pages of publication | 18247 - 18259 |
| a | 7.5511 ± 0.0004 Å |
| b | 10.7802 ± 0.0006 Å |
| c | 11.2368 ± 0.0006 Å |
| α | 112.339 ± 0.005° |
| β | 98.875 ± 0.005° |
| γ | 101.174 ± 0.005° |
| Cell volume | 803.4 ± 0.09 Å3 |
| Cell temperature | 123.01 ± 0.1 K |
| Ambient diffraction temperature | 123.01 ± 0.1 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 | 0.0554 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.1567 |
| Weighted residual factors for all reflections included in the refinement | 0.1591 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7036544.cif |
| 171176 | 2015-12-09 | cif/ Updating files of 7036540, 7036541, 7036542, 7036543, 7036544 Original log message: Adding full bibliography for 7036540--7036544.cif. |
7036544.cif |
| 156711 | 2015-09-17 | cif/ Adding structures of 7036540, 7036541, 7036542, 7036543, 7036544 via cif-deposit CGI script. |
7036544.cif |
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Users of the data should acknowledge the original authors of the
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