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Information card for entry 7035938
Preview
| Coordinates | 7035938.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | phen(N-o-Xyl)2 |
|---|---|
| Formula | C28 H24 N4 |
| Calculated formula | C28 H24 N4 |
| SMILES | N(c1c(cccc1C)C)=C1C(=Nc2c(cccc2C)C)c2c(nccc2)c2ncccc12 |
| Title of publication | Novel phenanthroline-diaryldiazadiene ligands with heteroditopic coordination spheres. |
| Authors of publication | Sorsche, Dieter; Pehlken, Christian; Baur, Christian; Rommel, Sebastian; Kastner, Katharina; Streb, Carsten; Rau, Sven |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 35 |
| Pages of publication | 15404 - 15407 |
| a | 15.6277 ± 0.0002 Å |
| b | 7.3164 ± 0.0001 Å |
| c | 20.3483 ± 0.0003 Å |
| α | 90° |
| β | 102.666 ± 0.001° |
| γ | 90° |
| Cell volume | 2269.98 ± 0.05 Å3 |
| Cell temperature | 180 ± 0.14 K |
| Ambient diffraction temperature | 180 ± 0.14 K |
| Number of distinct elements | 3 |
| 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 | 0.0431 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.0998 |
| Weighted residual factors for all reflections included in the refinement | 0.1037 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 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. |
7035938.cif |
| 161264 | 2015-10-09 | cif/ Updating files of 7035937, 7035938, 7035939 Original log message: Adding full bibliography for 7035937--7035939.cif. |
7035938.cif |
| 152499 | 2015-07-24 | cif/ Adding structures of 7035937, 7035938, 7035939 via cif-deposit CGI script. |
7035938.cif |
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Users of the data should acknowledge the original authors of the
structural data.