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Information card for entry 7037107
Preview
| Coordinates | 7037107.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H16 N6 |
|---|---|
| Calculated formula | C16 H16 N6 |
| SMILES | n1c2c3c(nc1N(C)C)ccc1nc(nc(cc2)c31)N(C)C |
| Title of publication | Counter-ligand control of the electronic structure in dinuclear copper-tetrakisguanidine complexes. |
| Authors of publication | Ziesak, Alexandra; Wesp, Tobias; Hübner, Olaf; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 44 |
| Pages of publication | 19111 - 19125 |
| a | 10.2045 ± 0.0005 Å |
| b | 4.3265 ± 0.0002 Å |
| c | 15.5492 ± 0.0007 Å |
| α | 90° |
| β | 98.654 ± 0.005° |
| γ | 90° |
| Cell volume | 678.68 ± 0.06 Å3 |
| Cell temperature | 110 ± 1 K |
| Ambient diffraction temperature | 110 ± 1 K |
| Number of distinct elements | 3 |
| 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 | 0.0936 |
| Residual factor for significantly intense reflections | 0.0881 |
| Weighted residual factors for significantly intense reflections | 0.2313 |
| Weighted residual factors for all reflections included in the refinement | 0.2414 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7037107.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7037107.cif |
| 170199 | 2015-11-07 | cif/ Adding structures of 7037106, 7037107, 7037108, 7037109, 7037110, 7037111 via cif-deposit CGI script. |
7037107.cif |
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Users of the data should acknowledge the original authors of the
structural data.