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Information card for entry 7027555
Preview
| Coordinates | 7027555.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H12 Cu N8 |
|---|---|
| Calculated formula | C12 H12 Cu N8 |
| SMILES | [Cu]1([n]2c(c3[n]1ccc(c3)C)cc(cc2)C)(N=N#N)N=N#N |
| Title of publication | Crystal structures and magnetic properties of two alternating azide-bridged complexes [{M(dmbpy)(N3)2}n] (M = Mn or Cu; dmbpy = 4,4′-dimethyl-2,2′-bipyridine) † |
| Authors of publication | Shen, Zhen; Zuo, Jing-Lin; Yu, Zhi; Zhang, Yong; Bai, Jun-Feng; Che, Chi-Ming; Fun, Hoong-Kun; Vittal, Jagadese J.; You, Xiao-Zeng |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 1999 |
| Journal issue | 19 |
| Pages of publication | 3393 |
| a | 7.961 ± 0.0006 Å |
| b | 9.392 ± 0.0006 Å |
| c | 10.7626 ± 0.0008 Å |
| α | 113.439 ± 0.001° |
| β | 101.228 ± 0.001° |
| γ | 101.982 ± 0.001° |
| Cell volume | 686.89 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0582 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.1151 |
| Weighted residual factors for all reflections included in the refinement | 0.1223 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| 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. |
7027555.cif |
| 179981 | 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 7/02/75. |
7027555.cif |
| 95468 | 2014-01-28 | cif/ Adding structures of 7027554, 7027555 via cif-deposit CGI script. |
7027555.cif |
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Users of the data should acknowledge the original authors of the
structural data.