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Information card for entry 7036540
Preview
| Coordinates | 7036540.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H22 Cl8 Ga2 N4 |
|---|---|
| Calculated formula | C23 H22 Cl8 Ga2 N4 |
| SMILES | [Ga]12(Cl)(Cl)([n]3c(Cc4[n]1cccc4)cccc3)[n]1c(Cc3[n]2cccc3)cccc1.[Ga](Cl)(Cl)(Cl)[Cl-].ClCCl |
| 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 | 12.134 ± 0.005 Å |
| b | 12.93 ± 0.005 Å |
| c | 19.258 ± 0.005 Å |
| α | 90° |
| β | 104.453 ± 0.005° |
| γ | 90° |
| Cell volume | 2925.8 ± 1.8 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0595 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.1065 |
| Weighted residual factors for all reflections included in the refinement | 0.1145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7036540.cif |
| 171176 | 2015-12-09 | cif/ Updating files of 7036540, 7036541, 7036542, 7036543, 7036544 Original log message: Adding full bibliography for 7036540--7036544.cif. |
7036540.cif |
| 156711 | 2015-09-17 | cif/ Adding structures of 7036540, 7036541, 7036542, 7036543, 7036544 via cif-deposit CGI script. |
7036540.cif |
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Users of the data should acknowledge the original authors of the
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