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Information card for entry 7048712
Preview
| Coordinates | 7048712.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H37 Br N4 Ni2 O7 |
|---|---|
| Calculated formula | C29 H37 Br N4 Ni2 O7 |
| Title of publication | Anion-mediated bio-relevant catalytic activity of dinuclear nickel(ii) complexes derived from an end-off compartmental ligand. |
| Authors of publication | Chakraborty, Tonmoy; Mukherjee, Somali; Dasgupta, Sanchari; Biswas, Biplab; Das, Debasis |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 8 |
| Pages of publication | 2772 - 2784 |
| a | 13.938 ± 0.002 Å |
| b | 13.552 ± 0.002 Å |
| c | 17.572 ± 0.003 Å |
| α | 90° |
| β | 102.448 ± 0.004° |
| γ | 90° |
| Cell volume | 3241.1 ± 0.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 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 | 0.054 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0817 |
| Weighted residual factors for all reflections included in the refinement | 0.0891 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7048712.cif |
| 223957 | 2019-11-07 | cif/ Updating files of 7048710, 7048711, 7048712 Original log message: Adding full bibliography for 7048710--7048712.cif. |
7048712.cif |
| 213304 | 2019-01-25 | cif/ Adding structures of 7048710, 7048711, 7048712 via cif-deposit CGI script. |
7048712.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.