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Information card for entry 4341425
Preview
| Coordinates | 4341425.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H32 Cl2 Cu2 N14 O8 |
|---|---|
| Calculated formula | C20 H32 Cl2 Cu2 N14 O8 |
| SMILES | c1c[nH]c(CC)[n]1[Cu]1([N](=N#N)[Cu]([N]1=N#N)([n]1cc[nH]c1CC)[n]1cc[nH]c1CC)[n]1cc[nH]c1CC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
| Title of publication | Structural and Magnetic Diversity Based on Different Imidazolate Linkers in Cu(II)-Azido Coordination Compounds |
| Authors of publication | Chakraborty, Anindita; Lingampalli, Srinivasa Rao; Kumari, Aman; Ribas, Joan; Ribas-Arino, Jordi; Maji, Tapas Kumar |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2014 |
| Pages of publication | 141031143936008 |
| a | 7.8665 ± 0.0003 Å |
| b | 14.8088 ± 0.0005 Å |
| c | 13.9124 ± 0.0005 Å |
| α | 90° |
| β | 106.292 ± 0.002° |
| γ | 90° |
| Cell volume | 1555.62 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1436 |
| Residual factor for significantly intense reflections | 0.0589 |
| Weighted residual factors for significantly intense reflections | 0.1315 |
| Weighted residual factors for all reflections included in the refinement | 0.1612 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| 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. |
4341425.cif |
| 179517 | 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 4/34/14. |
4341425.cif |
| 126148 | 2014-11-01 | cif/ Adding structures of 4341425, 4341426, 4341427, 4341428 via cif-deposit CGI script. |
4341425.cif |
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