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Information card for entry 4340915
Preview
| Coordinates | 4340915.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H30 Cu N12 O12 S2 |
|---|---|
| Calculated formula | C30 H30 Cu N12 O12 S2 |
| SMILES | [Cu]12([n]3ccccc3C(N)=[O]1)([n]1ccccc1C(N)=[O]2)(OS(=O)(=O)c1ccccc1N/N=C(C(=O)N)/C#N)OS(=O)(=O)c1ccccc1N/N=C(\C(=O)N)C#N.O.O |
| Title of publication | Cooperative metal-ligand assisted E/Z isomerization and cyano activation at Cu(II) and Co(II) complexes of arylhydrazones of active methylene nitriles. |
| Authors of publication | Mahmudov, Kamran T.; Kopylovich, Maximilian N.; Sabbatini, Alessandra; Drew, Michael G. B.; Martins, Luísa M D R S; Pettinari, Claudio; Pombeiro, Armando J. L. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 18 |
| Pages of publication | 9946 - 9958 |
| a | 9.2685 ± 0.0009 Å |
| b | 10.0309 ± 0.0009 Å |
| c | 11.6641 ± 0.001 Å |
| α | 102.238 ± 0.008° |
| β | 97.299 ± 0.008° |
| γ | 117.211 ± 0.009° |
| Cell volume | 910.66 ± 0.18 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0635 |
| Residual factor for significantly intense reflections | 0.0493 |
| Weighted residual factors for significantly intense reflections | 0.108 |
| Weighted residual factors for all reflections included in the refinement | 0.1173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| 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. |
4340915.cif |
| 179512 | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/09. |
4340915.cif |
| 126893 | 2014-11-12 | cif/ Updating files of 4340912, 4340913, 4340914, 4340915, 4340916, 4340917, 4340918, 4340919, 4340920, 4340921 Original log message: Adding full bibliography for 4340912--4340921.cif. |
4340915.cif |
| 126004 | 2014-10-30 | cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds. |
4340915.cif |
| 122440 | 2014-08-23 | cif/ Adding structures of 4340915 via cif-deposit CGI script. |
4340915.cif |
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Users of the data should acknowledge the original authors of the
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