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Information card for entry 7022072
Preview
| Coordinates | 7022072.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C8 H32 Cu2 Mo8 N8 O26 |
|---|---|
| Calculated formula | C8 H32 Cu2 Mo8 N8 O26 |
| SMILES | C1[NH2][Cu]2([NH2]CC[NH2]2)([NH2]C1)[O]=[Mo]12(=O)[O]3[Mo]456(=O)O[Mo]78(=O)(=O)[O]4([Mo]49%10(=O)O[Mo]%113(=O)(=O)[O]54[Mo]3(=O)(=O)(O%11)[O]%10[Mo](=[O][Cu]45([NH2]CC[NH2]4)[NH2]CC[NH2]5)(=O)(O3)[O]79)[Mo](=O)(=O)(O8)([O]16)O2 |
| Title of publication | Transition metal-induced self-assembly of small molybdenum clusters. |
| Authors of publication | Zhang, Weisong; Gong, Jingjing; Zhang, Lili; Yang, Yanan; Liu, Yang; Zhang, Hengchao; Zhang, Guangju; Dong, Huan; Hu, Hailiang; Zhao, Fangfang; Kang, Zhenhui |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 5 |
| Pages of publication | 1760 - 1769 |
| a | 13.4301 ± 0.0007 Å |
| b | 15.5335 ± 0.0008 Å |
| c | 16.7731 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3499.1 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0206 |
| Residual factor for significantly intense reflections | 0.0204 |
| Weighted residual factors for significantly intense reflections | 0.0493 |
| Weighted residual factors for all reflections included in the refinement | 0.0493 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.173 |
| 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. |
7022072.cif |
| 179925 | 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 7/02/20. |
7022072.cif |
| 89960 | 2013-11-17 | cif/ Adding structures of 7022067, 7022068, 7022069, 7022070, 7022071, 7022072, 7022073, 7022074 via cif-deposit CGI script. |
7022072.cif |
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