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Information card for entry 7715934
Preview
| Coordinates | 7715934.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H32 Cu F3 N4 O3 S |
|---|---|
| Calculated formula | C35 H32 Cu F3 N4 O3 S |
| SMILES | [Cu]1234([N](N5c6ccccc6[CH]1=[CH]2c1ccccc51)=C(C)C)[N](N1c2ccccc2[CH]3=[CH]4c2ccccc12)=C(C)C.S(=O)(=O)([O-])C(F)(F)F |
| 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 | 12.422 ± 0.0006 Å |
| b | 13.8004 ± 0.0006 Å |
| c | 18.5331 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3177.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0341 |
| Residual factor for significantly intense reflections | 0.0266 |
| Weighted residual factors for significantly intense reflections | 0.0592 |
| Weighted residual factors for all reflections included in the refinement | 0.0642 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| 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. |
7715934.cif |
| 291467 | 2024-05-03 | cif/ Adding structures of 7715932, 7715933, 7715934, 7715935, 7715936, 7715937, 7715938, 7715939, 7715940 via cif-deposit CGI script. |
7715934.cif |
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Users of the data should acknowledge the original authors of the
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