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Information card for entry 4341916
Preview
| Coordinates | 4341916.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H39 N9 Zn |
|---|---|
| Calculated formula | C40 H39 N9 Zn |
| SMILES | [Zn]12(N(N=C([N]1=Nc1c(cc(cc1C)C)C)C#N)c1c(cc(cc1C)C)C)N(N=C(N=[N]2c1ccccc1)c1ccc(cc1)C)c1ccccc1 |
| Title of publication | Formazanate Ligands as Structurally Versatile, Redox-Active Analogues of β-Diketiminates in Zinc Chemistry. |
| Authors of publication | Chang, Mu-Chieh; Roewen, Peter; Travieso-Puente, Raquel; Lutz, Martin; Otten, Edwin |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 1 |
| Pages of publication | 379 - 388 |
| a | 15.07 ± 0.004 Å |
| b | 12.864 ± 0.003 Å |
| c | 19.235 ± 0.005 Å |
| α | 90° |
| β | 104.01 ± 0.008° |
| γ | 90° |
| Cell volume | 3618 ± 1.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0467 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.0799 |
| Weighted residual factors for all reflections included in the refinement | 0.0869 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4341916.cif |
| 179522 | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/19. |
4341916.cif |
| 130571 | 2015-02-04 | cif/ Updating files of 4341915, 4341916, 4341917, 4341918, 4341919 Original log message: Adding full bibliography for 4341915--4341919.cif. |
4341916.cif |
| 128624 | 2014-12-13 | cif/ Adding structures of 4341916 via cif-deposit CGI script. |
4341916.cif |
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Users of the data should acknowledge the original authors of the
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