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Information card for entry 7004567
Preview
| Coordinates | 7004567.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H36 Cu N2 O2 |
|---|---|
| Calculated formula | C27 H36 Cu N2 O2 |
| SMILES | [Cu]12([O]=C(O1)C)[N](=C(C=C(N2c1c(cccc1CC)CC)C)C)c1c(cccc1CC)CC |
| Title of publication | Reaction of β-diketiminate copper(ii) complexes and Na2S2 |
| Authors of publication | Inosako, Masayuki; Kunishita, Atsushi; Shimokawa, Chizu; Teraoka, Junji; Kubo, Minoru; Ogura, Takashi; Sugimoto, Hideki; Itoh, Shinobu |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 44 |
| Pages of publication | 6250 - 6256 |
| a | 8.015 ± 0.006 Å |
| b | 8.546 ± 0.007 Å |
| c | 19.929 ± 0.017 Å |
| α | 88.52 ± 0.02° |
| β | 83.23 ± 0.02° |
| γ | 67.57 ± 0.018° |
| Cell volume | 1252.7 ± 1.8 Å3 |
| Cell temperature | 113.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0866 |
| Weighted residual factors for all reflections included in the refinement | 0.1944 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7004567.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7004567.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7004567.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7004567.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7004567.cif |
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