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Information card for entry 7706798
Preview
| Coordinates | 7706798.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H40 Cl4 N4 Ni2 O7 |
|---|---|
| Calculated formula | C28 H40 Cl4 N4 Ni2 O7 |
| SMILES | [Ni]1234([O]([Ni]56([O]1c1c(Cl)cc(Cl)cc1C[N]5(C)CC[N]6(C)C)(OC(=O)C)O2)c1c(Cl)cc(Cl)cc1C[N]3(C)CC[N]4(C)C)OC(=O)C |
| Title of publication | Unveiling the urease like intrinsic catalytic activities of two dinuclear nickel complexes towards the in situ syntheses of aminocyanopyridines. |
| Authors of publication | Kundu, Bidyut Kumar; Pragti, ?; Biswas, Soumen; Mondal, Abhijit; Mazumdar, Shyamalava; Mobin, Shaikh M.; Mukhopadhyay, Suman |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 14 |
| Pages of publication | 4848 - 4858 |
| a | 14.8217 ± 0.0007 Å |
| b | 15.0778 ± 0.0004 Å |
| c | 17.2355 ± 0.0007 Å |
| α | 90° |
| β | 114.805 ± 0.005° |
| γ | 90° |
| Cell volume | 3496.4 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0863 |
| Residual factor for significantly intense reflections | 0.0805 |
| Weighted residual factors for significantly intense reflections | 0.2118 |
| Weighted residual factors for all reflections included in the refinement | 0.2223 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7706798.cif |
| 266061 | 2021-06-05 | cif/ Updating files of 7706798, 7706799 Original log message: Adding full bibliography for 7706798--7706799.cif. |
7706798.cif |
| 262903 | 2021-03-09 | cif/ Adding structures of 7706798, 7706799 via cif-deposit CGI script. |
7706798.cif |
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Users of the data should acknowledge the original authors of the
structural data.