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Information card for entry 7055655
Preview
| Coordinates | 7055655.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H52 Co Mo5 N4 O35 P2 |
|---|---|
| Calculated formula | C12 H52 Co Mo5 N4 O35 P2 |
| SMILES | C1C[NH+](CC[NH2+]1)CCO.O1[Mo]23(=O)([O]4P5(=O)[O]6[Mo]78(=O)(O[Mo]9(O[Mo]14(=O)(=O)[O]9P(=O)(O7)[O]3[Mo]6(O2)(=O)(=O)O8)(=O)(O5)=O)=O)=O.[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.C1C[NH+](CC[NH2+]1)CCO.O.O |
| Title of publication | Hydrothermal synthesis of two supramolecular inorganic–organic hybrid phosphomolybdates based on Ni(ii) and Co(ii) ions: structural diversity and heterogeneous catalytic activities |
| Authors of publication | Paul, Luna; Dolai, Malay; Panja, Anangamohan; Ali, Mahammad |
| Journal of publication | New J. Chem. |
| Year of publication | 2016 |
| Journal volume | 40 |
| Journal issue | 8 |
| Pages of publication | 6931 |
| a | 28.086 ± 0.004 Å |
| b | 9.744 ± 0.002 Å |
| c | 18.685 ± 0.003 Å |
| α | 90° |
| β | 126.78 ± 0.005° |
| γ | 90° |
| Cell volume | 4095.6 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0998 |
| Residual factor for significantly intense reflections | 0.0619 |
| Weighted residual factors for significantly intense reflections | 0.1285 |
| Weighted residual factors for all reflections included in the refinement | 0.1545 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7055655.cif |
| 185617 | 2016-08-07 | cif/ Updating files of 7055654, 7055655 Original log message: Adding full bibliography for 7055654--7055655.cif. |
7055655.cif |
| 183829 | 2016-06-22 | cif/ Adding structures of 7055654, 7055655 via cif-deposit CGI script. |
7055655.cif |
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Users of the data should acknowledge the original authors of the
structural data.