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Information card for entry 7251349
Preview
| Coordinates | 7251349.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H25 Br2 N9 Ni O5 |
|---|---|
| Calculated formula | C36 H25 Br2 N9 Ni O5 |
| Title of publication | Nickel(II) Complexes of Halogen-Containing NNO Donor Aroylhydrazones as Potential Putative Binders against SARS Cov-2 M pro |
| Authors of publication | Maniyampara, Pramod Kumar; M, BHAGIYALAKSHMI; Kurup, Prathapachandra M. R.; Potti, Manoj Easwaran; Damodaran, Krishna K.; Maheswaran , Sithambaresan; Hussain, Firasat |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 11.6612 ± 0.0011 Å |
| b | 22.5022 ± 0.0019 Å |
| c | 14.1199 ± 0.0013 Å |
| α | 90° |
| β | 105.387 ± 0.003° |
| γ | 90° |
| Cell volume | 3572.3 ± 0.6 Å3 |
| Cell temperature | 302 ± 2 K |
| Ambient diffraction temperature | 302 ± 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 | 0.0643 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.0857 |
| Weighted residual factors for all reflections included in the refinement | 0.0921 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303465 (current) | 2025-11-28 | cif/ Adding structures of 7251345, 7251346, 7251347, 7251348, 7251349, 7251350 via cif-deposit CGI script. |
7251349.cif |
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Users of the data should acknowledge the original authors of the
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