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Information card for entry 7029356
Preview
| Coordinates | 7029356.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H13 Cu N5 O6 |
|---|---|
| Calculated formula | C16 H13 Cu N5 O6 |
| SMILES | [Cu]12([n]3c4c5[n]1cccc5ccc4ccc3)([n]1c(C(=O)O2)c[nH]c1)ON(=O)=O.[Cu]12([n]3c4c5[n]1cccc5ccc4ccc3)([n]1c(C(=O)O2)c[nH]c1)[OH2].N(=O)(=O)[O-].O |
| Title of publication | Cu(II) complexes with co-planar [Cu(II)(N-N)(HIMC(-))], their anti-cancer activities, ΔG, ΔE and solid luminescence. |
| Authors of publication | Cheng, Yi-Feng; Lu, Xiao-Ming; Wang, Guo |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 14 |
| Pages of publication | 5357 - 5363 |
| a | 10.602 ± 0.001 Å |
| b | 13.5739 ± 0.0012 Å |
| c | 13.6171 ± 0.0013 Å |
| α | 96.686 ± 0.001° |
| β | 107.126 ± 0.001° |
| γ | 112.851 ± 0.002° |
| Cell volume | 1665.5 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 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 all reflections | 0.0862 |
| Residual factor for significantly intense reflections | 0.0472 |
| Weighted residual factors for significantly intense reflections | 0.1126 |
| Weighted residual factors for all reflections included in the refinement | 0.1413 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7029356.cif |
| 179999 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/93. |
7029356.cif |
| 107131 | 2014-03-18 | cif/ Adding structures of 7029356 via cif-deposit CGI script. |
7029356.cif |
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Users of the data should acknowledge the original authors of the
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