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Information card for entry 7715937
Preview
| Coordinates | 7715937.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H36 Cl4 Cu2 F6 N4 O8 S2 |
|---|---|
| Calculated formula | C56 H36 Cl4 Cu2 F6 N4 O8 S2 |
| SMILES | [Cu]123([O]=C4C(=[N]1N1c5ccccc5[CH]5[Cu]6([O]=C7C(=[N]6N6c8ccccc8[CH]2=[CH]3c2ccccc62)c2c3c7cccc3ccc2)(OS(=O)(=O)C(F)(F)F)[CH]=5c2ccccc12)c1c2c4cccc2ccc1)OS(=O)(=O)C(F)(F)F.ClCCl.ClCCl |
| Title of publication | Dibenzoazepine hydrazine is a building block for <i>N</i>-alkene hybrid ligands: exploratory syntheses of complexes of Cu, Fe, and Li. |
| Authors of publication | Grasruck, Alexander; Schall, Kristina; Heinemann, Frank W.; Langer, Jens; Herrera, Alberto; Frieß, Sybille; Schmid, Günter; Dorta, Romano |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2024 |
| Journal volume | 53 |
| Journal issue | 20 |
| Pages of publication | 8642 - 8656 |
| a | 16.9485 ± 0.0003 Å |
| b | 17.6987 ± 0.0003 Å |
| c | 17.5363 ± 0.0003 Å |
| α | 90° |
| β | 96.3972 ± 0.0016° |
| γ | 90° |
| Cell volume | 5227.55 ± 0.16 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 8 |
| 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 | 0.0449 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0715 |
| Weighted residual factors for all reflections included in the refinement | 0.0771 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| 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 |
|---|---|---|---|
| 293095 (current) | 2024-07-05 | cif/ Updating files of 7715932, 7715933, 7715934, 7715935, 7715936, 7715937, 7715938, 7715939, 7715940 Original log message: Adding full bibliography for 7715932--7715940.cif. |
7715937.cif |
| 291467 | 2024-05-03 | cif/ Adding structures of 7715932, 7715933, 7715934, 7715935, 7715936, 7715937, 7715938, 7715939, 7715940 via cif-deposit CGI script. |
7715937.cif |
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Users of the data should acknowledge the original authors of the
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