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Information card for entry 4341919
Preview
| Coordinates | 4341919.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C52 H58 N8 Zn |
|---|---|
| Calculated formula | C52 H58 N8 Zn |
| SMILES | [Zn]12([N](=NC(=NN1c1c(C)cc(C)cc1C)c1ccc(C)cc1)c1c(C)cc(C)cc1C)[N](=NC(=NN2c1c(cc(cc1C)C)C)c1ccc(C)cc1)c1c(C)cc(cc1C)C |
| 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 | 11.1353 ± 0.0006 Å |
| b | 12.0886 ± 0.0007 Å |
| c | 17.9233 ± 0.0009 Å |
| α | 75.379 ± 0.002° |
| β | 87.426 ± 0.002° |
| γ | 76.677 ± 0.002° |
| Cell volume | 2271.5 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0612 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.0863 |
| Weighted residual factors for all reflections included in the refinement | 0.0941 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| 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. |
4341919.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. |
4341919.cif |
| 130571 | 2015-02-04 | cif/ Updating files of 4341915, 4341916, 4341917, 4341918, 4341919 Original log message: Adding full bibliography for 4341915--4341919.cif. |
4341919.cif |
| 128627 | 2014-12-13 | cif/ Adding structures of 4341919 via cif-deposit CGI script. |
4341919.cif |
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